++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:51:28 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.ins Phases from ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.phi Native data from ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.hkl Listing output to ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.lst Phases output to ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.phs Poly-Ala trace output to ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 Allowed origin shift code: 1 70806 Reflections read from file ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.phi 70806 Reflections read from file ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.hkl 70806 Unique data, highest resolution = 1.950 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 +0.000041k^2 -0.000002l^2 -0.000138kl -0.000227hl +0.000106hk 5476 Reflections with d > 2.150 and 0 in range 2.150 > d > 1.950 added Density sharpening factor set to 0.83 Fourier grid = 128 x 128 x 145 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.669 = 0.300, Contrast = 0.275, Connect. = 0.663 for dens.mod. cycle 1 = 0.300, Contrast = 0.353, Connect. = 0.681 for dens.mod. cycle 2 = 0.300, Contrast = 0.465, Connect. = 0.726 for dens.mod. cycle 3 = 0.300, Contrast = 0.499, Connect. = 0.738 for dens.mod. cycle 4 = 0.300, Contrast = 0.521, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.534, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.550, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5983 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1270 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 28.178 2.098 0.691 0.936 1.000 0.938 CB 1.383 B: 21 31.318 2.049 0.721 0.945 0.950 0.900 CB 1.447 18 residues pruned to eliminate duplicates C: 20 24.577 1.917 0.597 0.896 0.947 0.895 CB 1.392 D: 9 15.496 1.774 1.014 0.707 0.875 0.875 CB 1.451 E: 21 28.383 2.030 0.601 0.928 0.950 0.900 CB 1.440 20 residues pruned to eliminate duplicates F: 21 31.303 2.030 0.733 0.941 1.000 0.900 CB 1.381 21 residues pruned to eliminate duplicates G: 17 26.571 1.956 0.775 0.867 0.938 0.875 CB 1.494 18 residues pruned to eliminate duplicates H: 15 18.716 1.949 0.374 0.885 1.000 0.786 CA 1.349 I: 22 30.034 1.969 0.684 0.932 1.000 0.952 CB 1.380 21 residues pruned to eliminate duplicates J: 19 27.739 1.952 0.700 0.917 1.000 0.667 CB 1.389 19 residues pruned to eliminate duplicates K: 10 10.433 1.703 0.959 0.913 0.889 0.667 CB 0.830 L: 18 31.323 2.085 0.739 0.935 1.000 0.941 CB 1.460 18 residues pruned to eliminate duplicates M: 20 23.709 1.926 0.522 0.890 1.000 0.947 CA 1.335 N: 7 7.272 1.539 0.693 0.797 1.000 0.667 CB 0.879 O: 17 23.497 1.980 0.360 0.936 1.000 0.875 CB 1.520 17 residues pruned to eliminate duplicates P: 10 5.670 1.844 0.603 0.261 0.667 0.333 CB 1.260 Q: 17 36.745 2.077 0.951 0.944 1.000 0.812 CB 1.570 19 residues pruned to eliminate duplicates R: 10 6.426 1.452 0.186 0.742 1.000 0.667 CB 1.001 S: 9 18.449 1.820 1.060 0.730 1.000 0.875 CB 1.415 9 residues pruned to eliminate duplicates T: 11 19.494 1.856 0.960 0.694 1.000 0.900 CA 1.419 U: 37 33.161 1.967 0.815 0.649 0.944 0.667 CB 1.427 23 residues pruned to eliminate duplicates V: 14 11.147 1.659 0.957 0.439 0.846 0.538 CB 1.199 W: 17 25.676 1.979 1.083 0.910 0.938 0.375 CB 1.177 17 residues pruned to eliminate duplicates X: 15 10.173 1.653 0.663 0.467 0.857 0.571 CB 1.193 14 residues pruned to eliminate duplicates Y: 18 24.845 2.017 0.741 0.904 1.000 0.647 CB 1.222 18 residues pruned to eliminate duplicates Z: 20 25.800 1.914 0.469 0.947 1.000 1.000 CB 1.454 20 residues pruned to eliminate duplicates Z: 14 22.945 1.987 0.630 0.932 1.000 0.769 CA 1.372 15 residues pruned to eliminate duplicates Z: 16 7.590 1.577 0.504 0.297 0.933 0.467 CB 1.111 Z: 21 28.800 1.921 0.548 0.939 1.000 1.000 CB 1.505 21 residues pruned to eliminate duplicates Z: 10 7.267 1.533 0.630 0.727 0.667 0.444 CB 1.185 9 residues pruned to eliminate duplicates Z: 11 8.894 1.675 0.300 0.933 1.000 0.900 CB 0.901 Z: 15 12.055 1.705 0.725 0.535 0.857 0.714 CB 1.235 15 residues pruned to eliminate duplicates Z: 12 22.468 2.239 0.496 0.912 0.909 0.909 CB 1.576 12 residues pruned to eliminate duplicates Z: 10 13.684 1.718 0.606 0.666 1.000 0.889 CA 1.418 Z: 8 3.443 1.551 0.718 0.451 0.714 0.429 CB 0.719 Z: 19 17.797 1.993 0.230 0.889 0.944 0.944 CB 1.304 19 residues pruned to eliminate duplicates Z: 21 34.110 2.079 0.953 0.933 0.950 0.700 CB 1.380 21 residues pruned to eliminate duplicates Z: 10 18.392 1.807 1.290 0.891 1.000 0.667 CB 1.065 10 residues pruned to eliminate duplicates Z: 11 13.566 1.727 1.053 0.927 1.000 0.800 CB 0.848 11 residues pruned to eliminate duplicates Z: 10 14.783 1.784 0.608 0.803 1.000 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 35 9.308 1.841 0.464 0.322 0.765 0.353 CB 0.942 16 residues pruned to eliminate duplicates Z: 8 14.425 1.873 0.986 0.768 0.857 0.857 CB 1.349 8 residues pruned to eliminate duplicates Z: 10 10.634 1.532 0.740 0.788 1.000 0.556 CA 1.033 10 residues pruned to eliminate duplicates Z: 18 29.886 2.024 0.688 0.921 1.000 0.706 CB 1.493 18 residues pruned to eliminate duplicates Z: 12 9.514 1.713 0.528 0.447 0.909 0.545 CB 1.274 12 residues pruned to eliminate duplicates Z: 28 13.518 1.912 0.954 0.330 0.741 0.444 CB 1.133 10 residues pruned to eliminate duplicates Z: 18 30.888 1.902 0.879 0.918 1.000 0.941 CB 1.479 18 residues pruned to eliminate duplicates Z: 20 28.494 1.955 0.896 0.895 1.000 0.789 CB 1.263 21 residues pruned to eliminate duplicates Z: 7 5.182 1.657 0.300 0.495 0.833 0.833 CA 1.185 Z: 9 11.893 1.576 0.750 0.851 1.000 1.000 CA 1.129 Z: 9 2.897 1.501 0.448 0.267 0.625 0.375 N 0.984 6 residues pruned to eliminate duplicates Z: 27 20.187 1.956 0.736 0.465 0.923 0.462 CB 1.309 9 residues pruned to eliminate duplicates Z: 13 14.257 1.904 0.838 0.505 0.833 0.417 CB 1.403 10 residues pruned to eliminate duplicates Z: 15 11.274 1.682 0.472 0.501 1.000 0.786 CB 1.215 14 residues pruned to eliminate duplicates Z: 13 21.317 2.005 0.555 0.919 1.000 0.833 CA 1.391 13 residues pruned to eliminate duplicates Z: 44 26.751 1.927 0.529 0.579 0.907 0.698 CB 1.415 41 residues pruned to eliminate duplicates Z: 20 20.277 1.932 0.405 0.887 1.000 0.895 CB 1.236 20 residues pruned to eliminate duplicates Z: 16 12.273 1.996 0.819 0.352 0.800 0.533 CB 1.279 16 residues pruned to eliminate duplicates Z: 25 30.403 2.062 0.633 0.740 1.000 0.792 CA 1.487 23 residues pruned to eliminate duplicates Z: 8 7.809 1.676 0.594 0.589 0.857 0.857 CA 1.184 Z: 18 32.326 2.030 0.707 0.940 1.000 0.941 CB 1.571 18 residues pruned to eliminate duplicates Z: 9 13.397 1.705 1.037 0.598 0.875 0.625 CA 1.419 Z: 11 9.690 1.538 0.962 0.887 1.000 0.800 CB 0.732 Z: 9 11.325 1.640 0.707 0.805 1.000 0.750 CB 1.097 9 residues pruned to eliminate duplicates Z: 23 7.333 1.655 0.214 0.387 0.955 0.591 CB 0.919 Z: 11 5.809 1.640 0.883 0.313 0.900 0.500 CA 0.813 11 residues pruned to eliminate duplicates Z: 9 8.051 1.738 1.051 0.396 0.875 0.625 CB 1.019 Z: 11 10.678 1.765 0.701 0.591 0.900 0.600 CB 1.145 11 residues pruned to eliminate duplicates Z: 10 12.217 1.747 0.596 0.669 0.889 0.778 CA 1.407 10 residues pruned to eliminate duplicates Z: 19 33.081 2.090 0.886 0.908 1.000 0.667 CB 1.405 19 residues pruned to eliminate duplicates Z: 9 9.965 1.942 0.910 0.479 0.875 0.625 CB 1.109 3 residues pruned to eliminate duplicates Z: 6 10.947 2.053 0.966 0.423 1.000 0.400 CB 1.315 7 residues pruned to eliminate duplicates Z: 10 10.415 1.780 0.294 0.870 0.889 0.778 CB 1.238 9 residues pruned to eliminate duplicates Z: 7 7.053 1.685 0.504 0.490 1.000 0.500 CA 1.148 Z: 12 9.396 1.789 0.747 0.547 0.818 0.545 CB 1.058 9 residues pruned to eliminate duplicates Z: 22 8.460 1.728 0.504 0.311 0.810 0.429 CB 1.082 Z: 9 12.274 1.665 0.573 0.810 1.000 0.750 CA 1.265 9 residues pruned to eliminate duplicates Z: 11 13.318 2.117 0.842 0.257 1.000 0.300 CB 1.428 6 residues pruned to eliminate duplicates Z: 9 6.441 1.690 0.591 0.347 0.875 0.500 CA 1.143 Z: 7 9.527 1.710 0.577 0.670 1.000 0.833 CA 1.233 11 residues pruned to eliminate duplicates Z: 9 9.301 1.579 0.211 0.886 1.000 1.000 CA 1.240 9 residues pruned to eliminate duplicates Z: 20 30.611 1.892 1.194 0.934 0.947 0.421 CB 1.245 20 residues pruned to eliminate duplicates Z: 8 8.376 1.645 0.789 0.679 0.857 0.857 CB 1.065 Z: 27 8.805 1.612 0.288 0.341 0.885 0.500 CB 1.119 23 residues pruned to eliminate duplicates Z: 30 13.506 1.775 0.635 0.430 0.862 0.448 CB 1.078 9 residues pruned to eliminate duplicates Z: 10 13.152 1.803 0.699 0.616 0.889 0.778 CA 1.443 10 residues pruned to eliminate duplicates Z: 7 9.986 1.652 0.907 0.768 0.833 0.333 CB 1.225 7 residues pruned to eliminate duplicates Z: 13 10.662 1.687 0.497 0.472 0.917 0.583 CA 1.368 7 residues pruned to eliminate duplicates Z: 18 33.838 2.107 0.880 0.945 1.000 0.941 CB 1.433 18 residues pruned to eliminate duplicates Z: 9 5.658 1.640 0.513 0.382 0.875 0.625 CB 1.044 Z: 33 27.915 1.867 0.590 0.733 0.969 0.781 CB 1.391 24 residues pruned to eliminate duplicates Z: 14 18.143 2.035 0.311 0.942 1.000 1.000 CA 1.308 13 residues pruned to eliminate duplicates Z: 7 11.353 1.906 0.389 0.781 1.000 0.833 CB 1.366 8 residues pruned to eliminate duplicates Z: 19 17.634 1.796 0.415 0.938 1.000 1.000 CA 1.138 14 residues pruned to eliminate duplicates Z: 32 24.197 1.764 0.664 0.650 0.935 0.774 CB 1.375 26 residues pruned to eliminate duplicates Z: 16 14.008 1.846 0.368 0.877 0.933 0.933 CA 1.114 16 residues pruned to eliminate duplicates Z: 18 12.989 1.845 0.535 0.622 0.882 0.647 CB 1.124 Z: 9 12.112 1.739 0.951 0.658 0.750 0.625 C 1.453 9 residues pruned to eliminate duplicates Z: 22 23.305 1.891 0.815 0.916 0.952 0.333 CB 1.099 19 residues pruned to eliminate duplicates Z: 8 9.921 1.579 0.462 0.859 1.000 0.857 CB 1.194 8 residues pruned to eliminate duplicates Z: 21 32.471 2.057 0.770 0.935 1.000 0.900 CB 1.390 21 residues pruned to eliminate duplicates Z: 20 15.054 1.893 0.857 0.348 0.842 0.474 CB 1.376 9 residues pruned to eliminate duplicates Z: 8 12.126 1.748 0.526 0.878 1.000 1.000 CA 1.247 10 residues pruned to eliminate duplicates Z: 10 3.785 1.638 0.202 0.428 0.889 0.667 CA 0.777 10 residues pruned to eliminate duplicates Z: 8 10.264 1.729 0.308 0.870 1.000 0.714 CA 1.252 8 residues pruned to eliminate duplicates Z: 10 9.850 1.757 0.751 0.598 0.889 0.667 CA 1.094 Z: 9 13.384 1.700 0.575 0.776 1.000 0.875 CA 1.385 Z: 20 31.276 1.913 0.899 0.929 1.000 0.632 CB 1.382 20 residues pruned to eliminate duplicates Z: 13 16.417 2.125 0.174 0.922 1.000 1.000 CB 1.336 13 residues pruned to eliminate duplicates Z: 7 16.433 2.153 0.641 0.871 0.833 0.833 CA 1.661 7 residues pruned to eliminate duplicates Z: 15 10.134 1.544 0.712 0.474 0.929 0.643 CB 1.134 10 residues pruned to eliminate duplicates Z: 21 33.064 1.932 0.930 0.894 1.000 0.800 CB 1.422 20 residues pruned to eliminate duplicates Z: 20 10.868 1.953 0.687 0.306 0.789 0.368 CB 1.189 12 residues pruned to eliminate duplicates Z: 9 6.677 1.683 0.797 0.404 0.875 0.500 CA 0.988 Z: 15 28.831 2.103 0.489 0.949 1.000 1.000 CA 1.698 15 residues pruned to eliminate duplicates Z: 9 10.646 1.704 0.298 0.826 1.000 0.625 CA 1.283 9 residues pruned to eliminate duplicates Z: 8 8.696 1.685 0.681 0.805 0.857 0.571 CB 1.038 8 residues pruned to eliminate duplicates Z: 7 4.692 1.842 0.427 0.305 0.833 0.500 CA 1.086 7 residues pruned to eliminate duplicates Z: 14 11.047 1.974 0.535 0.411 1.000 0.538 CB 1.109 14 residues pruned to eliminate duplicates Z: 8 11.300 1.873 0.529 0.705 0.857 0.857 CB 1.444 7 residues pruned to eliminate duplicates Z: 14 12.526 1.719 0.752 0.494 0.846 0.769 CB 1.371 14 residues pruned to eliminate duplicates Z: 20 37.876 2.079 1.085 0.943 1.000 0.842 CB 1.389 20 residues pruned to eliminate duplicates Z: 8 3.184 1.576 0.028 0.383 0.714 0.286 C 1.178 Z: 8 9.097 1.831 0.335 0.662 0.857 0.714 CA 1.412 7 residues pruned to eliminate duplicates Z: 15 7.597 1.679 0.462 0.405 0.929 0.643 CB 0.985 15 residues pruned to eliminate duplicates Z: 7 15.780 1.938 0.892 0.774 1.000 0.667 CA 1.379 10 residues pruned to eliminate duplicates Z: 9 5.141 1.551 0.499 0.453 0.750 0.500 CA 1.093 Z: 25 33.286 2.058 0.766 0.746 0.958 0.792 CA 1.565 25 residues pruned to eliminate duplicates Z: 29 25.806 1.891 0.692 0.618 0.964 0.714 CB 1.414 29 residues pruned to eliminate duplicates Z: 7 9.573 1.669 0.559 0.760 1.000 0.500 CB 1.192 7 residues pruned to eliminate duplicates Z: 48 10.135 1.720 0.434 0.284 0.766 0.362 CB 0.998 48 residues pruned to eliminate duplicates Z: 11 11.660 1.753 0.803 0.565 0.800 0.500 CA 1.369 11 residues pruned to eliminate duplicates Z: 6 2.134 1.559 0.309 0.439 0.600 0.400 CB 0.831 Z: 9 5.049 1.390 0.543 0.358 0.875 0.750 CB 1.109 Z: 6 5.528 1.888 0.375 0.652 0.800 0.800 CB 1.033 6 residues pruned to eliminate duplicates Z: 15 10.062 1.856 0.704 0.462 0.857 0.357 CB 1.031 14 residues pruned to eliminate duplicates Z: 17 19.270 1.867 0.446 0.920 1.000 0.812 CA 1.257 17 residues pruned to eliminate duplicates Z: 12 12.882 1.901 0.609 0.477 0.909 0.727 CB 1.430 12 residues pruned to eliminate duplicates Z: 14 10.555 1.945 0.955 0.356 0.846 0.538 CB 1.063 14 residues pruned to eliminate duplicates Z: 10 5.962 1.667 0.717 0.342 0.667 0.333 CA 1.237 Z: 6 3.598 1.600 0.289 0.450 0.800 0.400 CB 1.026 Z: 8 3.147 1.471 0.358 0.485 0.857 0.429 CB 0.705 Z: 7 6.195 1.669 0.329 0.522 1.000 0.667 CB 1.116 Z: 18 37.482 2.107 1.102 0.940 1.000 0.765 CB 1.425 18 residues pruned to eliminate duplicates Z: 30 22.166 1.970 0.861 0.443 0.966 0.586 CB 1.233 27 residues pruned to eliminate duplicates Z: 7 7.204 1.405 1.096 0.666 1.000 0.500 CA 0.857 7 residues pruned to eliminate duplicates Z: 15 15.782 1.816 0.806 0.614 1.000 0.571 CB 1.154 17 residues pruned to eliminate duplicates Z: 15 10.684 1.939 0.485 0.482 0.929 0.643 CB 1.088 15 residues pruned to eliminate duplicates Z: 7 2.376 1.457 0.309 0.399 0.667 0.667 CB 0.848 Z: 7 6.771 1.636 0.410 0.573 1.000 0.667 CB 1.117 6 residues pruned to eliminate duplicates Z: 10 5.181 1.704 0.472 0.348 0.667 0.556 CB 1.218 10 residues pruned to eliminate duplicates Z: 21 8.570 1.666 0.159 0.443 0.950 0.500 CB 1.107 21 residues pruned to eliminate duplicates Z: 6 4.996 1.744 0.294 0.647 0.800 0.600 CA 1.079 6 residues pruned to eliminate duplicates Z: 8 5.279 1.541 0.427 0.595 0.857 0.714 CA 0.966 Z: 14 11.769 1.836 0.645 0.450 0.846 0.538 CA 1.344 Z: 20 30.514 1.921 0.774 0.923 1.000 0.789 CB 1.444 20 residues pruned to eliminate duplicates Z: 7 6.635 1.589 0.486 0.582 0.833 0.667 CB 1.272 Z: 8 9.164 1.587 0.951 0.535 0.857 0.714 C 1.261 8 residues pruned to eliminate duplicates Z: 10 6.730 1.595 0.765 0.529 0.889 0.444 CB 0.871 10 residues pruned to eliminate duplicates Z: 10 8.181 1.704 0.979 0.481 0.889 0.556 CB 0.928 10 residues pruned to eliminate duplicates Z: 28 20.449 1.815 0.736 0.486 0.963 0.593 CA 1.316 14 residues pruned to eliminate duplicates Z: 9 10.642 1.524 0.542 0.872 1.000 0.750 CA 1.167 10 residues pruned to eliminate duplicates Z: 9 10.334 1.795 0.527 0.543 0.875 0.750 CA 1.460 8 residues pruned to eliminate duplicates Z: 16 10.946 1.657 0.740 0.527 0.867 0.533 CA 1.101 18 residues pruned to eliminate duplicates Z: 9 10.745 1.798 0.932 0.405 1.000 0.500 CA 1.208 7 residues pruned to eliminate duplicates Z: 18 8.025 1.702 0.520 0.378 0.824 0.353 CB 1.040 Z: 16 8.370 1.630 0.527 0.383 0.867 0.533 CB 1.134 Z: 12 3.876 1.652 0.431 0.243 0.727 0.455 CB 0.915 Z: 18 15.784 2.019 1.028 0.402 0.824 0.588 CB 1.258 18 residues pruned to eliminate duplicates Z: 10 8.528 1.518 0.757 0.550 0.889 0.667 CA 1.142 Z: 8 10.337 1.822 0.664 0.638 1.000 0.714 CA 1.132 8 residues pruned to eliminate duplicates Z: 9 6.709 1.724 0.452 0.496 0.875 0.500 CB 1.087 9 residues pruned to eliminate duplicates Z: 7 5.511 1.638 0.418 0.572 1.000 0.833 CA 0.903 Z: 17 11.587 1.778 0.613 0.485 0.875 0.625 CB 1.172 17 residues pruned to eliminate duplicates Z: 19 10.017 1.771 0.628 0.423 0.778 0.444 CB 1.142 12 residues pruned to eliminate duplicates Z: 8 7.290 1.713 0.620 0.567 0.857 0.429 CB 1.085 Z: 8 3.690 1.560 0.353 0.229 0.714 0.286 CB 1.269 Z: 7 6.120 1.681 0.470 0.603 1.000 0.500 CB 0.917 7 residues pruned to eliminate duplicates Z: 7 8.927 1.635 0.582 0.790 1.000 1.000 CB 1.092 6 residues pruned to eliminate duplicates Z: 12 7.160 1.725 0.518 0.459 0.818 0.455 CB 1.051 7 residues pruned to eliminate duplicates Z: 8 6.835 1.600 0.173 0.535 1.000 0.714 CA 1.330 9 residues pruned to eliminate duplicates Z: 22 12.324 1.814 0.638 0.323 0.857 0.333 CB 1.283 20 residues pruned to eliminate duplicates Z: 11 11.769 1.728 0.499 0.648 1.000 0.900 CB 1.252 11 residues pruned to eliminate duplicates Z: 14 11.102 1.577 0.819 0.591 0.923 0.769 CB 1.065 13 residues pruned to eliminate duplicates Z: 6 5.154 1.781 0.604 0.398 0.800 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 7 7.416 1.954 0.882 0.286 0.833 0.500 CA 1.256 7 residues pruned to eliminate duplicates Z: 26 16.720 1.615 1.004 0.507 1.000 0.720 CB 1.026 23 residues pruned to eliminate duplicates Z: 12 10.220 1.926 0.738 0.497 0.727 0.727 CB 1.269 12 residues pruned to eliminate duplicates Z: 7 5.530 1.602 0.694 0.543 0.833 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 15 20.406 1.955 0.469 0.924 1.000 0.929 CA 1.333 15 residues pruned to eliminate duplicates Z: 14 5.364 1.426 0.645 0.304 0.846 0.615 CB 0.932 Z: 18 23.047 1.916 0.444 0.891 1.000 0.824 CB 1.453 18 residues pruned to eliminate duplicates Z: 10 7.713 1.590 0.445 0.594 1.000 0.667 CB 1.023 8 residues pruned to eliminate duplicates Z: 19 13.981 1.801 0.927 0.413 0.833 0.556 CB 1.248 19 residues pruned to eliminate duplicates Z: 9 12.540 1.640 0.561 0.849 1.000 0.750 CA 1.283 8 residues pruned to eliminate duplicates Z: 8 4.597 1.521 0.511 0.305 1.000 0.714 CA 0.939 8 residues pruned to eliminate duplicates Z: 12 4.836 1.685 0.211 0.395 0.909 0.727 CB 0.878 Z: 7 13.158 1.822 0.618 0.865 1.000 0.833 CB 1.335 7 residues pruned to eliminate duplicates Z: 29 29.699 1.906 0.631 0.761 1.000 0.857 CA 1.431 29 residues pruned to eliminate duplicates Z: 19 16.718 1.747 0.438 0.889 1.000 0.833 CA 1.129 19 residues pruned to eliminate duplicates Z: 7 4.960 1.674 0.342 0.591 1.000 0.667 CB 0.826 7 residues pruned to eliminate duplicates Z: 6 2.631 1.382 0.211 0.438 0.800 0.600 CA 0.937 6 residues pruned to eliminate duplicates Z: 14 5.127 1.523 0.315 0.350 0.923 0.692 CB 0.905 13 residues pruned to eliminate duplicates Z: 29 20.787 1.826 0.884 0.476 0.893 0.607 CB 1.311 28 residues pruned to eliminate duplicates Z: 12 12.309 1.978 1.023 0.491 0.818 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 18 10.632 1.640 0.490 0.494 0.882 0.588 CB 1.203 18 residues pruned to eliminate duplicates Z: 6 7.230 1.646 1.195 0.531 1.000 0.600 CA 0.868 Z: 15 5.049 1.455 0.495 0.347 0.857 0.429 CB 0.854 15 residues pruned to eliminate duplicates Z: 18 11.567 1.841 0.656 0.368 0.824 0.471 CB 1.288 18 residues pruned to eliminate duplicates Z: 7 2.661 1.534 0.144 0.134 0.833 0.500 N 1.171 Z: 8 9.895 1.595 0.751 0.577 1.000 0.714 CB 1.244 8 residues pruned to eliminate duplicates Z: 15 9.945 1.725 0.825 0.395 0.786 0.429 CA 1.200 34 residues pruned to eliminate duplicates Z: 16 9.972 1.631 0.581 0.406 0.933 0.600 CB 1.182 15 residues pruned to eliminate duplicates Z: 10 4.223 1.616 0.555 0.417 0.667 0.444 CB 0.916 10 residues pruned to eliminate duplicates Z: 13 10.999 1.774 0.420 0.602 0.917 0.667 CB 1.249 14 residues pruned to eliminate duplicates Z: 34 18.745 1.743 0.700 0.455 0.939 0.606 CA 1.227 34 residues pruned to eliminate duplicates Z: 12 9.881 1.708 0.316 0.559 1.000 0.727 CB 1.251 11 residues pruned to eliminate duplicates Z: 19 6.689 1.505 0.355 0.315 0.889 0.500 CB 1.067 19 residues pruned to eliminate duplicates Z: 18 7.314 1.539 0.392 0.294 0.882 0.471 CB 1.182 7 residues pruned to eliminate duplicates Z: 6 6.769 1.732 0.807 0.738 0.800 0.800 CB 0.976 5 residues pruned to eliminate duplicates Z: 9 9.034 1.583 0.577 0.798 0.875 0.750 CB 1.127 9 residues pruned to eliminate duplicates Z: 10 12.689 1.781 0.592 0.748 1.000 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 16 16.469 1.919 0.680 0.502 0.933 0.600 CA 1.410 7 residues pruned to eliminate duplicates Z: 26 10.050 1.657 0.341 0.402 0.880 0.560 CB 1.140 26 residues pruned to eliminate duplicates Z: 19 9.338 1.847 0.788 0.319 0.778 0.556 CB 1.046 Z: 7 2.959 1.560 0.349 0.249 1.000 0.500 CB 0.766 Z: 14 11.056 1.816 0.650 0.426 0.769 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 8 6.605 1.686 0.486 0.457 1.000 0.571 CB 1.041 8 residues pruned to eliminate duplicates Z: 13 7.645 1.741 0.358 0.380 0.917 0.583 CB 1.157 8 residues pruned to eliminate duplicates Z: 14 4.608 1.532 0.268 0.320 0.769 0.385 CB 1.043 14 residues pruned to eliminate duplicates Z: 36 37.042 2.008 0.811 0.700 0.971 0.857 CB 1.477 38 residues pruned to eliminate duplicates Z: 30 19.952 1.966 0.700 0.411 0.897 0.448 CB 1.358 30 residues pruned to eliminate duplicates Z: 10 14.929 1.855 0.924 0.560 0.889 0.667 CB 1.479 8 residues pruned to eliminate duplicates Z: 8 8.692 1.626 0.364 0.820 0.857 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 6 4.139 1.571 0.461 0.436 1.000 0.400 CA 0.861 6 residues pruned to eliminate duplicates Z: 19 8.204 1.425 0.445 0.502 1.000 0.667 CB 0.937 Z: 6 2.469 1.646 -0.191 0.551 0.600 0.600 CB 1.314 6 residues pruned to eliminate duplicates Z: 7 4.188 1.460 0.556 0.521 1.000 0.667 CB 0.737 7 residues pruned to eliminate duplicates Z: 25 28.384 2.026 0.595 0.729 0.958 0.792 CA 1.523 25 residues pruned to eliminate duplicates Z: 11 9.050 1.651 0.317 0.585 0.900 0.800 CB 1.349 11 residues pruned to eliminate duplicates Z: 21 14.009 1.809 0.589 0.516 0.950 0.650 CB 1.129 22 residues pruned to eliminate duplicates Z: 6 3.580 1.612 0.678 0.292 0.600 0.400 CA 1.245 Z: 18 5.246 1.539 0.081 0.362 0.882 0.471 CB 1.006 14 residues pruned to eliminate duplicates Z: 13 5.922 1.443 0.694 0.372 0.667 0.500 CB 1.203 7 residues pruned to eliminate duplicates Z: 13 7.720 1.652 0.844 0.416 0.750 0.583 CB 1.065 13 residues pruned to eliminate duplicates Z: 18 20.590 1.746 0.769 0.933 1.000 0.529 CA 1.128 18 residues pruned to eliminate duplicates Z: 7 12.047 1.748 0.521 0.906 1.000 0.833 CA 1.316 7 residues pruned to eliminate duplicates Z: 8 3.230 1.394 0.124 0.352 0.857 0.429 N 1.066 Z: 10 5.358 1.604 0.826 0.397 0.778 0.444 CB 0.875 10 residues pruned to eliminate duplicates Z: 10 17.553 1.817 0.889 0.701 0.889 0.556 CA 1.597 14 residues pruned to eliminate duplicates Z: 9 7.283 1.994 0.491 0.326 1.000 0.500 CB 1.049 9 residues pruned to eliminate duplicates 6 1.957 1.263 0.320 0.294 0.800 0.400 CA 0.826 ? Z: 22 9.426 1.647 0.453 0.425 0.762 0.619 CB 1.220 22 residues pruned to eliminate duplicates Z: 11 9.640 1.588 0.995 0.427 0.900 0.600 CB 1.154 9 residues pruned to eliminate duplicates Z: 21 40.025 2.080 1.175 0.947 0.950 0.800 CB 1.439 21 residues pruned to eliminate duplicates Z: 17 10.127 1.818 0.417 0.436 0.812 0.500 CB 1.292 16 residues pruned to eliminate duplicates Z: 12 9.236 1.558 0.633 0.536 0.909 0.636 CA 1.163 12 residues pruned to eliminate duplicates Z: 22 10.283 1.587 0.498 0.389 0.905 0.667 CB 1.173 22 residues pruned to eliminate duplicates Z: 9 3.810 1.576 0.095 0.371 0.875 0.500 CB 1.025 Z: 7 3.215 1.546 0.037 0.409 0.833 0.667 CB 1.081 Z: 11 5.028 1.495 0.450 0.365 0.800 0.400 C 1.060 11 residues pruned to eliminate duplicates Z: 13 4.649 1.527 0.648 0.167 0.917 0.500 CB 0.873 5 residues pruned to eliminate duplicates Z: 10 3.700 1.772 0.996 0.355 0.556 0.444 CB 0.734 10 residues pruned to eliminate duplicates Z: 22 10.479 1.772 0.696 0.406 0.857 0.571 CB 0.979 22 residues pruned to eliminate duplicates Z: 15 4.793 1.640 0.342 0.315 0.786 0.571 CB 0.909 7 residues pruned to eliminate duplicates Z: 9 12.599 1.919 0.330 0.635 1.000 0.750 CA 1.538 9 residues pruned to eliminate duplicates Z: 10 10.252 1.669 0.661 0.895 0.889 0.667 CB 0.994 10 residues pruned to eliminate duplicates Z: 8 10.446 1.708 0.583 0.875 1.000 0.857 CA 1.061 8 residues pruned to eliminate duplicates Z: 21 40.505 2.091 1.111 0.955 1.000 0.750 CB 1.410 21 residues pruned to eliminate duplicates Z: 8 4.454 1.389 0.202 0.593 1.000 0.571 CB 0.922 Z: 17 11.245 1.849 0.598 0.425 0.812 0.500 CB 1.266 17 residues pruned to eliminate duplicates Z: 18 9.403 1.690 0.502 0.489 0.941 0.647 CB 0.965 22 residues pruned to eliminate duplicates Z: 14 5.213 1.533 0.248 0.430 0.846 0.692 CB 0.960 13 residues pruned to eliminate duplicates Z: 21 32.618 1.985 1.115 0.922 1.000 0.800 CB 1.222 21 residues pruned to eliminate duplicates Z: 7 2.448 1.611 0.203 0.375 0.667 0.500 CA 0.884 9 1.864 1.481 0.340 0.298 0.500 0.250 CA 0.832 ? Z: 6 4.052 1.509 0.222 0.439 1.000 0.600 N 1.046 6 residues pruned to eliminate duplicates Z: 20 33.905 1.948 0.870 0.946 1.000 0.895 CB 1.476 20 residues pruned to eliminate duplicates Z: 8 2.383 1.403 0.655 0.071 0.714 0.429 CB 0.950 Z: 11 9.953 1.594 0.427 0.852 1.000 0.900 CB 1.023 11 residues pruned to eliminate duplicates Z: 8 3.883 1.614 0.346 0.473 1.000 0.857 CB 0.694 9 residues pruned to eliminate duplicates Z: 14 7.521 1.601 0.359 0.532 0.846 0.692 CB 1.098 14 residues pruned to eliminate duplicates Z: 23 17.275 1.795 0.886 0.383 0.909 0.636 CA 1.354 20 residues pruned to eliminate duplicates Z: 7 7.273 1.458 0.489 0.739 1.000 0.667 CA 1.104 Z: 6 3.533 1.526 0.348 0.436 0.800 0.400 CA 1.025 6 residues pruned to eliminate duplicates Z: 10 6.001 1.691 0.371 0.422 0.889 0.556 CB 1.053 10 residues pruned to eliminate duplicates Z: 6 3.288 1.452 0.004 0.571 0.800 0.600 CB 1.176 6 residues pruned to eliminate duplicates Z: 6 4.152 1.548 0.400 0.600 0.800 0.400 CA 0.974 6 residues pruned to eliminate duplicates Z: 12 7.172 1.601 0.414 0.406 0.909 0.636 CB 1.160 12 residues pruned to eliminate duplicates Z: 21 7.772 1.639 0.537 0.400 0.700 0.450 CB 1.095 8 residues pruned to eliminate duplicates Z: 19 37.729 2.090 1.076 0.946 1.000 0.667 CB 1.417 19 residues pruned to eliminate duplicates Z: 10 12.243 1.656 0.867 0.662 0.889 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 9 11.395 1.837 0.550 0.703 1.000 0.750 CA 1.176 9 residues pruned to eliminate duplicates Z: 20 10.458 1.675 0.714 0.316 0.947 0.526 CB 1.080 14 residues pruned to eliminate duplicates Z: 11 6.634 1.496 0.696 0.416 0.800 0.600 CA 1.129 11 residues pruned to eliminate duplicates Z: 7 4.615 1.526 0.564 0.471 1.000 0.667 CA 0.813 7 residues pruned to eliminate duplicates Z: 39 32.351 1.949 0.745 0.703 0.947 0.789 CB 1.354 39 residues pruned to eliminate duplicates Z: 9 4.579 1.540 0.701 0.346 0.875 0.375 CB 0.835 9 residues pruned to eliminate duplicates Z: 6 2.988 1.504 0.115 0.463 0.800 0.400 CB 1.034 Z: 24 17.162 1.955 0.879 0.417 0.826 0.522 CB 1.287 23 residues pruned to eliminate duplicates Z: 22 10.127 1.812 0.583 0.425 0.857 0.619 CB 0.972 22 residues pruned to eliminate duplicates Z: 16 10.044 1.785 0.470 0.423 0.933 0.667 CB 1.147 16 residues pruned to eliminate duplicates Z: 18 7.394 1.624 0.439 0.455 0.824 0.471 CB 0.975 21 residues pruned to eliminate duplicates Z: 30 9.193 1.618 0.518 0.369 0.828 0.517 CB 0.967 34 residues pruned to eliminate duplicates Z: 14 7.202 1.749 0.651 0.408 0.692 0.538 CA 1.100 14 residues pruned to eliminate duplicates Z: 20 5.193 1.610 0.300 0.310 0.789 0.421 CB 0.891 20 residues pruned to eliminate duplicates Z: 10 2.635 1.227 0.857 0.212 0.889 0.444 CB 0.609 Z: 6 3.442 1.591 0.025 0.478 0.800 0.800 CA 1.206 6 residues pruned to eliminate duplicates Z: 9 3.577 1.434 0.667 0.423 0.750 0.375 CB 0.764 9 residues pruned to eliminate duplicates Z: 11 13.101 1.574 1.058 0.697 1.000 0.700 CB 1.068 Z: 9 4.016 1.485 0.500 0.524 0.750 0.500 CB 0.829 9 residues pruned to eliminate duplicates Z: 6 2.802 1.400 0.523 0.460 1.000 0.600 CB 0.613 Z: 10 7.162 1.566 0.730 0.437 0.667 0.444 N 1.411 10 residues pruned to eliminate duplicates Z: 18 8.176 1.750 0.656 0.429 0.824 0.588 CB 0.895 18 residues pruned to eliminate duplicates Z: 8 2.442 1.510 0.339 0.208 0.571 0.429 CA 1.129 Z: 21 14.119 1.907 0.728 0.406 0.900 0.600 CB 1.176 21 residues pruned to eliminate duplicates Z: 6 2.175 1.283 0.408 0.454 0.600 0.400 CB 0.941 Z: 20 15.103 2.067 1.032 0.316 0.789 0.474 CB 1.281 20 residues pruned to eliminate duplicates Z: 13 10.382 1.435 0.645 0.885 0.917 0.833 CB 1.000 11 residues pruned to eliminate duplicates Z: 6 5.171 1.555 0.841 0.494 0.800 0.600 CB 1.015 6 residues pruned to eliminate duplicates Z: 23 13.914 1.726 0.506 0.373 0.955 0.636 CB 1.370 23 residues pruned to eliminate duplicates Z: 23 13.907 1.930 0.795 0.338 0.818 0.409 CB 1.248 23 residues pruned to eliminate duplicates Z: 6 6.302 1.537 0.760 0.610 0.800 0.600 C 1.173 Z: 12 5.851 1.503 0.480 0.436 0.818 0.545 CB 1.036 8 residues pruned to eliminate duplicates Z: 12 9.359 1.620 0.830 0.499 0.818 0.636 CA 1.164 12 residues pruned to eliminate duplicates Z: 7 6.716 1.873 0.051 0.494 1.000 0.500 CA 1.402 7 residues pruned to eliminate duplicates Z: 7 7.379 1.608 0.326 0.751 1.000 0.833 CA 1.130 Z: 9 10.880 1.890 1.226 0.413 0.875 0.375 CB 1.144 9 residues pruned to eliminate duplicates Z: 8 2.280 1.507 0.599 0.212 0.857 0.429 CB 0.586 9 residues pruned to eliminate duplicates Z: 15 12.555 1.751 0.715 0.540 0.857 0.643 CA 1.254 15 residues pruned to eliminate duplicates Z: 20 11.434 1.810 0.375 0.509 0.947 0.789 CB 1.104 20 residues pruned to eliminate duplicates Z: 8 9.129 1.545 0.632 0.876 1.000 0.857 CA 0.994 8 residues pruned to eliminate duplicates Z: 8 8.375 1.658 0.496 0.607 0.857 0.714 N 1.345 8 residues pruned to eliminate duplicates Z: 28 8.074 1.497 0.262 0.436 0.926 0.556 CB 0.949 24 residues pruned to eliminate duplicates Z: 13 8.045 1.502 1.066 0.380 0.750 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 10 7.514 1.719 0.775 0.487 0.667 0.667 CA 1.248 10 residues pruned to eliminate duplicates Z: 11 5.969 1.453 0.836 0.259 0.800 0.300 C 1.166 7 1.895 1.369 0.173 0.398 0.500 0.333 CB 1.072 ? Z: 12 11.140 1.728 0.633 0.439 1.000 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 15 15.584 1.974 0.563 0.814 0.786 0.643 CB 1.307 15 residues pruned to eliminate duplicates Z: 11 9.331 1.486 0.509 0.859 1.000 0.800 CB 0.968 14 residues pruned to eliminate duplicates Z: 10 6.466 1.785 0.273 0.488 0.889 0.667 CA 1.080 6 residues pruned to eliminate duplicates Z: 6 2.899 1.555 0.066 0.526 1.000 0.800 CB 0.762 6 residues pruned to eliminate duplicates Z: 9 11.320 1.774 0.875 0.625 0.875 0.625 CB 1.223 10 residues pruned to eliminate duplicates Z: 7 7.045 1.763 0.460 0.395 1.000 0.833 CB 1.248 Z: 9 4.056 1.484 0.474 0.198 0.875 0.500 CA 1.074 Z: 16 4.540 1.494 0.700 0.287 0.800 0.333 CB 0.732 16 residues pruned to eliminate duplicates Z: 18 8.850 1.694 0.582 0.435 0.824 0.529 CB 1.040 18 residues pruned to eliminate duplicates Z: 10 4.282 1.520 0.488 0.367 0.778 0.778 CA 0.936 10 residues pruned to eliminate duplicates Z: 22 5.819 1.570 0.204 0.307 0.857 0.571 CB 0.972 28 residues pruned to eliminate duplicates Z: 16 12.411 1.815 0.362 0.895 1.000 0.867 CA 0.929 16 residues pruned to eliminate duplicates Z: 6 3.933 1.849 0.298 0.495 0.800 0.600 CB 0.921 5 residues pruned to eliminate duplicates Z: 8 4.366 1.411 0.375 0.496 0.857 0.571 CA 0.997 Z: 7 12.137 1.538 1.379 0.888 1.000 0.833 C 0.975 Z: 19 42.736 2.118 1.283 0.952 1.000 0.778 CB 1.434 19 residues pruned to eliminate duplicates Z: 22 8.060 1.624 0.794 0.326 0.762 0.524 CB 0.959 19 residues pruned to eliminate duplicates Z: 9 3.449 1.341 0.386 0.363 0.875 0.500 O 0.869 Z: 8 4.434 1.499 0.409 0.257 0.857 0.714 CB 1.223 8 residues pruned to eliminate duplicates 6 1.362 1.435 0.215 0.318 0.800 0.600 CB 0.534 ? Z: 16 7.223 1.583 0.405 0.336 0.933 0.467 CB 1.075 16 residues pruned to eliminate duplicates Z: 18 13.158 1.808 0.723 0.505 0.941 0.588 CB 1.083 18 residues pruned to eliminate duplicates Z: 16 8.219 1.739 0.283 0.543 0.867 0.733 CB 1.052 16 residues pruned to eliminate duplicates Z: 7 9.740 1.723 0.304 0.835 1.000 0.667 CA 1.325 7 residues pruned to eliminate duplicates Z: 16 17.548 1.872 0.250 0.890 1.000 0.867 CB 1.393 16 residues pruned to eliminate duplicates Z: 7 4.364 1.461 0.376 0.395 0.833 0.500 CB 1.188 Z: 14 3.994 1.561 0.244 0.275 0.692 0.385 CB 1.063 Z: 11 8.783 1.674 1.033 0.724 0.900 0.900 CB 0.741 Z: 55 31.408 1.845 0.801 0.565 0.907 0.704 CB 1.331 71 residues pruned to eliminate duplicates Z: 13 7.069 1.560 0.706 0.523 0.833 0.583 CB 0.899 13 residues pruned to eliminate duplicates Z: 19 17.908 1.771 0.952 0.916 0.889 0.556 CB 0.971 19 residues pruned to eliminate duplicates Z: 20 37.294 2.044 1.193 0.942 1.000 0.632 CB 1.324 20 residues pruned to eliminate duplicates Z: 8 3.747 1.603 0.413 0.377 0.857 0.429 CB 0.831 Z: 9 4.382 1.743 0.164 0.458 0.875 0.625 CB 0.911 9 residues pruned to eliminate duplicates Z: 8 4.759 1.489 0.158 0.528 0.857 0.571 N 1.184 Z: 27 15.548 1.885 0.585 0.383 0.885 0.538 CB 1.306 27 residues pruned to eliminate duplicates Z: 8 3.168 1.447 0.414 0.423 0.714 0.571 CB 0.888 Z: 15 13.057 1.667 0.776 0.495 0.857 0.571 CB 1.381 15 residues pruned to eliminate duplicates Z: 13 5.995 1.713 0.522 0.337 0.917 0.667 CB 0.865 11 residues pruned to eliminate duplicates Z: 21 39.130 2.055 1.255 0.940 0.950 0.850 CB 1.380 21 residues pruned to eliminate duplicates Z: 6 2.936 1.337 0.308 0.399 1.000 0.600 CB 0.835 6 0.960 1.113 -0.074 0.257 0.800 0.400 CA 0.688 ? Z: 6 3.768 1.654 -0.009 0.446 1.000 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 7 10.077 1.836 0.519 0.764 1.000 0.833 CA 1.167 7 residues pruned to eliminate duplicates Z: 7 3.164 1.491 0.110 0.517 1.000 0.500 CB 0.767 Z: 6 2.507 1.670 0.322 0.405 0.600 0.400 CB 0.935 6 residues pruned to eliminate duplicates Z: 33 26.163 1.883 0.805 0.597 0.875 0.625 CB 1.418 33 residues pruned to eliminate duplicates Z: 9 10.996 1.620 0.643 0.870 1.000 0.875 CA 1.066 9 residues pruned to eliminate duplicates Z: 27 26.036 1.889 0.677 0.767 0.962 0.808 CA 1.323 27 residues pruned to eliminate duplicates Z: 13 7.098 1.667 0.532 0.470 0.917 0.750 CB 0.903 13 residues pruned to eliminate duplicates Z: 7 11.920 1.768 0.941 0.786 1.000 0.833 CB 1.103 7 residues pruned to eliminate duplicates Z: 11 10.760 1.603 0.548 0.602 1.000 0.600 CA 1.244 Z: 9 10.588 1.534 0.316 0.888 1.000 0.875 CA 1.336 9 residues pruned to eliminate duplicates Z: 19 43.950 2.117 1.388 0.950 1.000 0.722 CB 1.413 20 residues pruned to eliminate duplicates Z: 8 4.701 1.530 0.486 0.586 0.714 0.571 CB 1.008 10 residues pruned to eliminate duplicates Z: 12 9.058 1.687 0.425 0.625 0.909 0.818 CB 1.111 12 residues pruned to eliminate duplicates Z: 13 2.805 1.468 0.248 0.212 0.583 0.417 CA 1.065 Z: 18 17.255 1.997 0.545 0.568 1.000 0.706 CB 1.270 18 residues pruned to eliminate duplicates Z: 19 11.149 1.677 0.391 0.538 0.889 0.667 CB 1.220 26 residues pruned to eliminate duplicates Z: 11 7.408 1.627 0.197 0.876 0.900 0.800 CB 0.971 11 residues pruned to eliminate duplicates Z: 7 2.766 1.412 0.567 0.425 0.833 0.500 CB 0.662 Z: 9 4.815 1.525 0.170 0.278 1.000 0.875 C 1.227 9 residues pruned to eliminate duplicates Z: 9 5.166 1.616 0.625 0.435 0.875 0.625 CB 0.850 Z: 13 9.128 1.848 0.882 0.477 0.750 0.583 CB 1.034 12 residues pruned to eliminate duplicates Z: 14 3.483 1.361 0.604 0.249 0.769 0.385 CB 0.769 6 residues pruned to eliminate duplicates Z: 12 6.985 1.674 0.579 0.382 0.909 0.455 CB 0.994 12 residues pruned to eliminate duplicates Z: 22 15.999 1.812 0.759 0.363 0.952 0.619 CB 1.333 22 residues pruned to eliminate duplicates Z: 10 6.024 1.608 0.623 0.436 0.889 0.556 CA 0.925 7 residues pruned to eliminate duplicates Z: 19 32.708 1.965 0.957 0.916 1.000 0.722 CB 1.415 19 residues pruned to eliminate duplicates Z: 10 6.371 1.556 0.490 0.511 0.889 0.667 CA 1.020 Z: 6 8.047 1.483 0.842 0.805 1.000 0.800 CB 1.009 4 residues pruned to eliminate duplicates Z: 28 18.911 1.908 0.831 0.472 0.926 0.630 CB 1.158 28 residues pruned to eliminate duplicates Z: 11 4.064 1.554 0.176 0.440 0.900 0.800 CB 0.831 8 residues pruned to eliminate duplicates Z: 12 5.798 1.761 0.367 0.400 0.818 0.636 CB 0.987 17 residues pruned to eliminate duplicates Z: 7 5.092 1.422 0.336 0.662 0.833 0.667 CA 1.130 6 residues pruned to eliminate duplicates Z: 21 12.865 1.705 0.606 0.509 0.850 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 11 5.222 1.540 0.718 0.365 0.800 0.600 CA 0.902 16 residues pruned to eliminate duplicates Z: 25 13.342 1.680 0.559 0.457 1.000 0.708 CB 1.087 25 residues pruned to eliminate duplicates 6 1.795 1.342 0.101 0.362 0.800 0.400 N 0.788 ? Z: 21 23.469 2.034 0.667 0.592 1.000 0.800 CB 1.417 21 residues pruned to eliminate duplicates Z: 22 9.627 1.632 0.401 0.379 0.952 0.667 CB 1.098 22 residues pruned to eliminate duplicates Z: 19 12.267 1.924 0.871 0.393 0.778 0.611 CB 1.156 19 residues pruned to eliminate duplicates Z: 16 20.866 1.917 0.637 0.871 0.933 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 6 3.696 1.404 0.309 0.657 0.800 0.600 N 0.971 Z: 14 11.579 1.788 0.147 0.842 1.000 0.923 CA 1.167 14 residues pruned to eliminate duplicates Z: 22 10.839 1.734 0.445 0.464 0.952 0.524 CB 1.028 22 residues pruned to eliminate duplicates Z: 7 4.033 1.530 0.403 0.440 0.833 0.667 CB 0.979 7 residues pruned to eliminate duplicates Z: 6 2.060 1.319 -0.044 0.568 0.800 0.400 C 0.855 6 residues pruned to eliminate duplicates Z: 21 12.668 1.836 0.736 0.338 0.900 0.500 CB 1.178 21 residues pruned to eliminate duplicates Z: 16 5.904 1.481 0.476 0.428 0.867 0.600 CB 0.868 24 residues pruned to eliminate duplicates Z: 7 2.788 1.771 0.424 0.411 0.667 0.500 CB 0.743 Z: 7 7.982 1.819 0.923 0.551 1.000 0.667 CB 0.887 7 residues pruned to eliminate duplicates Z: 36 33.532 1.879 0.979 0.654 0.971 0.743 CB 1.360 36 residues pruned to eliminate duplicates Z: 11 12.006 1.714 0.528 0.613 1.000 0.800 CB 1.303 11 residues pruned to eliminate duplicates Z: 6 6.718 1.656 0.387 0.687 1.000 1.000 CA 1.102 6 residues pruned to eliminate duplicates Z: 10 8.922 1.386 0.640 0.894 1.000 1.000 CA 0.939 9 residues pruned to eliminate duplicates Z: 7 8.534 1.592 0.577 0.787 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 7 3.643 1.391 0.429 0.449 0.833 0.667 CB 0.946 Z: 8 13.208 1.750 0.637 0.878 1.000 0.571 CA 1.264 8 residues pruned to eliminate duplicates Z: 18 9.897 1.635 0.741 0.495 0.824 0.706 CB 1.029 20 residues pruned to eliminate duplicates Z: 12 9.296 1.630 0.580 0.482 0.909 0.636 CA 1.220 12 residues pruned to eliminate duplicates Z: 13 7.572 1.629 0.435 0.382 0.917 0.583 CB 1.156 13 residues pruned to eliminate duplicates 6 1.996 1.384 0.038 0.300 0.800 0.800 O 0.971 ? Z: 9 9.406 1.542 0.480 0.796 1.000 0.375 CA 1.125 9 residues pruned to eliminate duplicates Z: 8 7.361 1.442 0.522 0.867 1.000 0.857 CA 0.927 8 residues pruned to eliminate duplicates Z: 27 32.380 1.937 0.824 0.773 1.000 0.846 CA 1.412 27 residues pruned to eliminate duplicates Z: 11 8.715 1.559 0.731 0.509 1.000 0.700 CA 1.012 11 residues pruned to eliminate duplicates Z: 9 6.660 1.627 0.531 0.836 0.875 0.625 CA 0.809 9 residues pruned to eliminate duplicates Z: 7 12.190 1.747 0.979 0.828 1.000 1.000 CA 1.083 7 residues pruned to eliminate duplicates Z: 6 2.945 1.537 0.467 0.371 0.800 0.600 CB 0.839 6 residues pruned to eliminate duplicates Z: 15 6.312 1.823 0.437 0.474 0.643 0.643 CB 1.029 15 residues pruned to eliminate duplicates Z: 6 3.524 1.649 0.506 0.425 0.800 0.800 CB 0.857 4 residues pruned to eliminate duplicates Z: 10 5.501 1.862 0.655 0.368 0.667 0.444 CB 1.028 10 residues pruned to eliminate duplicates Z: 7 6.624 1.591 0.383 0.709 1.000 0.667 CB 1.016 Z: 7 3.799 1.249 0.138 0.674 1.000 0.667 O 0.929 Z: 21 8.077 1.602 0.419 0.381 0.900 0.550 CB 1.002 18 residues pruned to eliminate duplicates 6 1.141 1.264 0.393 0.416 1.000 0.400 CB 0.316 ? Z: 12 15.865 1.827 0.984 0.664 0.909 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 8 6.508 1.541 0.674 0.641 0.857 0.571 CA 0.975 15 residues pruned to eliminate duplicates Z: 15 28.319 2.147 0.829 0.870 0.929 0.857 CB 1.514 15 residues pruned to eliminate duplicates Z: 10 7.686 1.609 0.467 0.721 0.889 0.667 CB 1.000 10 residues pruned to eliminate duplicates Z: 7 2.849 1.385 -0.230 0.541 1.000 0.833 C 1.047 7 residues pruned to eliminate duplicates Z: 8 2.894 1.321 0.435 0.229 0.857 0.286 CB 0.923 Z: 23 14.775 1.808 0.935 0.337 0.864 0.545 CB 1.246 23 residues pruned to eliminate duplicates Z: 10 6.079 1.648 0.644 0.367 0.778 0.556 CA 1.109 10 residues pruned to eliminate duplicates Z: 18 7.383 1.534 0.257 0.320 1.000 0.647 CA 1.132 18 residues pruned to eliminate duplicates Z: 18 8.877 1.703 0.535 0.507 0.882 0.647 CB 0.927 18 residues pruned to eliminate duplicates Z: 20 13.900 1.905 0.886 0.341 0.789 0.474 CB 1.336 20 residues pruned to eliminate duplicates Z: 7 3.562 1.311 0.296 0.542 0.833 0.667 CB 0.986 Z: 11 6.695 1.709 0.710 0.378 0.800 0.500 CB 1.031 11 residues pruned to eliminate duplicates Z: 20 28.335 1.894 0.928 0.925 1.000 0.632 CB 1.250 20 residues pruned to eliminate duplicates Z: 11 13.181 1.780 0.759 0.894 1.000 0.700 CB 0.955 11 residues pruned to eliminate duplicates Z: 6 3.707 1.409 0.095 0.528 1.000 0.600 O 1.045 Z: 12 11.520 1.727 0.922 0.524 0.818 0.727 CA 1.249 12 residues pruned to eliminate duplicates Z: 9 6.334 1.672 0.721 0.470 0.750 0.625 CA 1.070 9 residues pruned to eliminate duplicates Z: 15 6.585 1.559 0.745 0.468 0.786 0.643 CB 0.851 Z: 22 9.160 1.700 0.370 0.283 0.857 0.571 CB 1.278 22 residues pruned to eliminate duplicates 6 1.738 1.119 0.405 0.310 1.000 0.400 CB 0.610 ? Z: 12 9.435 1.597 0.427 0.603 0.909 0.636 CA 1.245 12 residues pruned to eliminate duplicates Z: 16 12.892 1.802 0.277 0.726 0.933 0.800 CA 1.265 16 residues pruned to eliminate duplicates Z: 9 10.281 1.572 0.712 0.627 1.000 0.750 O 1.199 9 residues pruned to eliminate duplicates Z: 9 3.921 1.289 0.416 0.528 0.750 0.625 O 0.985 6 residues pruned to eliminate duplicates Z: 7 2.169 1.230 0.584 0.288 0.833 0.500 CB 0.692 Z: 8 6.740 1.727 0.385 0.573 0.857 0.714 CA 1.157 8 residues pruned to eliminate duplicates Z: 16 8.577 1.611 0.410 0.355 0.933 0.600 CB 1.221 16 residues pruned to eliminate duplicates Z: 32 11.483 1.597 0.390 0.414 0.935 0.548 CB 1.086 35 residues pruned to eliminate duplicates Z: 11 5.253 1.685 0.416 0.275 0.800 0.500 CB 1.122 7 1.670 1.236 0.676 0.459 0.833 0.500 CB 0.412 ? 6 1.861 1.338 0.502 0.100 0.800 0.600 N 0.862 ? Z: 19 12.044 1.644 0.622 0.536 0.944 0.556 CB 1.088 19 residues pruned to eliminate duplicates Z: 15 4.591 1.614 0.563 0.365 0.857 0.500 CB 0.656 15 residues pruned to eliminate duplicates Z: 19 13.273 1.674 0.786 0.459 0.944 0.611 CB 1.155 15 residues pruned to eliminate duplicates Z: 7 2.544 1.510 0.156 0.316 0.667 0.500 CA 1.093 7 residues pruned to eliminate duplicates Z: 14 4.819 1.549 0.186 0.323 1.000 0.538 CA 0.885 14 residues pruned to eliminate duplicates Z: 10 12.733 1.777 0.530 0.743 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 20 18.473 1.655 0.978 0.866 0.947 0.684 CA 1.000 20 residues pruned to eliminate duplicates Z: 7 6.335 1.483 0.542 0.579 1.000 0.500 CB 1.048 7 residues pruned to eliminate duplicates 9 1.681 1.234 0.208 0.288 0.750 0.500 N 0.675 ? Z: 28 19.394 1.876 0.611 0.615 0.963 0.815 CA 1.151 36 residues pruned to eliminate duplicates Z: 6 2.188 1.165 0.048 0.491 1.000 0.600 N 0.809 Z: 6 4.284 1.579 0.283 0.484 1.000 0.400 CA 0.961 Z: 6 2.607 1.456 -0.098 0.526 1.000 0.200 CA 0.865 3 residues pruned to eliminate duplicates Z: 7 5.417 1.764 0.429 0.445 0.833 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 6 2.101 1.287 0.107 0.511 0.800 0.400 N 0.815 Z: 23 16.854 1.813 0.625 0.504 0.955 0.727 CB 1.273 25 residues pruned to eliminate duplicates Z: 6 4.074 1.635 0.294 0.517 0.800 0.400 CB 1.058 6 residues pruned to eliminate duplicates Z: 12 10.432 1.677 0.331 0.609 1.000 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 6 2.643 1.318 0.217 0.180 1.000 0.600 CA 1.083 Z: 11 3.471 1.446 0.384 0.191 0.900 0.600 CB 0.882 11 residues pruned to eliminate duplicates Z: 14 6.625 1.624 0.321 0.404 0.846 0.615 CB 1.119 14 residues pruned to eliminate duplicates Z: 21 14.251 1.860 0.626 0.493 0.850 0.450 CB 1.249 20 residues pruned to eliminate duplicates Z: 8 2.372 1.468 0.256 0.346 0.571 0.286 N 1.007 Z: 10 3.277 1.720 0.331 0.358 0.667 0.444 CB 0.833 10 residues pruned to eliminate duplicates 6 1.001 1.170 0.180 0.295 0.600 0.200 CB 0.680 ? Z: 8 3.202 1.365 0.531 0.289 0.857 0.571 C 0.856 Z: 20 33.539 1.951 0.895 0.941 1.000 0.789 CB 1.444 20 residues pruned to eliminate duplicates Z: 12 9.356 1.802 0.600 0.451 0.818 0.636 CB 1.257 13 residues pruned to eliminate duplicates Z: 9 5.358 1.731 0.297 0.195 1.000 0.625 CB 1.214 10 residues pruned to eliminate duplicates Z: 15 7.327 1.645 0.400 0.500 0.857 0.500 CB 0.992 15 residues pruned to eliminate duplicates Z: 10 3.890 1.529 0.378 0.292 0.667 0.556 CB 1.166 8 residues pruned to eliminate duplicates Z: 7 4.945 1.458 0.282 0.751 0.833 0.833 N 1.036 Z: 6 2.734 1.427 0.321 0.660 1.000 0.400 CA 0.559 Z: 6 4.919 1.595 0.430 0.228 1.000 0.800 C 1.324 Z: 7 2.901 1.371 0.156 0.553 1.000 0.500 CB 0.710 Z: 11 10.091 1.744 0.347 0.892 1.000 0.900 CB 0.975 11 residues pruned to eliminate duplicates Z: 10 4.491 1.278 0.476 0.518 0.889 0.556 C 0.877 Z: 6 4.196 1.522 0.268 0.826 1.000 1.000 CB 0.734 5 residues pruned to eliminate duplicates Z: 20 21.750 1.851 0.624 0.900 0.895 0.737 CB 1.325 20 residues pruned to eliminate duplicates Z: 6 6.344 1.609 1.059 0.740 1.000 0.800 N 0.690 Z: 7 2.257 1.116 0.543 0.253 1.000 0.500 CA 0.711 Z: 7 3.232 1.419 0.398 0.262 1.000 0.167 CA 0.873 Z: 7 3.097 1.565 0.426 0.496 1.000 0.500 CB 0.568 7 residues pruned to eliminate duplicates Z: 7 3.310 1.587 0.315 0.365 0.833 0.167 CB 0.899 Z: 10 10.406 1.655 0.689 0.850 1.000 0.667 CA 0.920 11 residues pruned to eliminate duplicates Z: 8 5.058 1.700 0.079 0.561 0.857 0.571 CB 1.146 8 residues pruned to eliminate duplicates Z: 10 8.941 1.556 0.492 0.581 1.000 0.889 CA 1.188 7 residues pruned to eliminate duplicates Z: 8 7.847 1.595 0.409 0.676 1.000 0.571 CB 1.122 8 residues pruned to eliminate duplicates Z: 10 5.308 1.634 0.624 0.427 0.778 0.667 CB 0.925 14 residues pruned to eliminate duplicates Z: 17 5.520 1.641 0.390 0.389 0.812 0.438 CB 0.838 12 residues pruned to eliminate duplicates Z: 9 4.068 1.499 0.311 0.348 0.875 0.500 CB 0.986 9 residues pruned to eliminate duplicates 6 1.993 1.469 0.179 0.293 0.600 0.400 N 1.082 ? Z: 19 10.203 1.773 0.681 0.444 0.833 0.500 CB 1.025 27 residues pruned to eliminate duplicates Z: 9 14.485 1.779 0.991 0.612 0.875 0.875 CA 1.486 9 residues pruned to eliminate duplicates Z: 16 9.349 1.642 0.447 0.457 0.933 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 21 32.847 1.983 1.207 0.906 1.000 0.600 CB 1.193 21 residues pruned to eliminate duplicates Z: 6 2.043 1.339 0.146 0.423 1.000 0.600 CB 0.645 Z: 6 4.011 1.617 0.452 0.652 0.800 0.800 CB 0.829 6 residues pruned to eliminate duplicates Z: 14 4.487 1.373 0.576 0.309 0.846 0.615 CB 0.841 14 residues pruned to eliminate duplicates Z: 23 8.590 1.597 0.586 0.335 0.864 0.591 CB 1.003 23 residues pruned to eliminate duplicates Z: 8 5.074 1.504 0.598 0.466 1.000 0.429 CB 0.826 8 residues pruned to eliminate duplicates Z: 7 3.969 1.605 0.425 0.498 0.667 0.167 CB 1.065 7 residues pruned to eliminate duplicates Z: 12 7.806 1.724 0.460 0.554 0.909 0.727 CA 0.977 11 residues pruned to eliminate duplicates Z: 10 4.582 1.573 0.643 0.268 0.667 0.444 CB 1.154 10 residues pruned to eliminate duplicates Z: 13 8.505 1.666 0.705 0.400 0.917 0.583 CA 1.048 13 residues pruned to eliminate duplicates Z: 9 9.820 1.728 0.675 0.630 0.875 0.750 CB 1.213 9 residues pruned to eliminate duplicates Z: 10 8.228 1.486 0.473 0.648 1.000 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 11 7.709 1.745 0.509 0.365 0.900 0.300 CB 1.189 11 residues pruned to eliminate duplicates Z: 7 2.626 1.328 0.633 0.207 0.833 0.167 CB 0.839 Z: 10 11.347 1.781 0.464 0.750 1.000 0.667 CA 1.161 10 residues pruned to eliminate duplicates 6 1.629 1.301 0.093 0.492 0.800 0.600 CB 0.646 ? Z: 7 2.850 1.662 0.523 0.369 0.833 0.667 CB 0.635 7 residues pruned to eliminate duplicates Z: 6 3.111 1.435 0.186 0.384 0.800 0.600 CB 1.157 Z: 20 5.647 1.661 0.353 0.338 0.684 0.368 CB 1.006 20 residues pruned to eliminate duplicates Z: 7 10.185 1.827 0.416 0.686 1.000 0.500 CA 1.356 7 residues pruned to eliminate duplicates Z: 24 25.550 1.886 0.938 0.825 0.957 0.826 CB 1.150 24 residues pruned to eliminate duplicates Z: 18 7.952 1.700 0.566 0.368 0.882 0.529 CB 0.945 18 residues pruned to eliminate duplicates 6 1.588 1.227 0.068 0.533 0.800 0.400 CB 0.656 ? Z: 13 3.989 1.421 0.773 0.304 0.583 0.417 CB 0.975 13 residues pruned to eliminate duplicates Z: 20 12.478 1.656 0.616 0.481 0.842 0.632 CB 1.295 18 residues pruned to eliminate duplicates Z: 10 2.939 1.323 0.527 0.193 0.667 0.444 CB 1.050 805 residues left after pruning, divided into chains as follows: A: 27 B: 11 C: 19 D: 6 E: 16 F: 21 G: 9 H: 8 I: 11 J: 16 K: 32 L: 6 M: 34 N: 39 O: 7 P: 9 Q: 58 R: 9 S: 38 T: 7 U: 19 V: 7 W: 10 X: 13 Y: 20 Z: 8 Z: 7 Z: 12 Z: 21 Z: 7 Z: 14 Z: 6 Z: 31 Z: 19 Z: 40 Z: 79 Z: 10 Z: 15 Z: 47 Z: 7 Z: 12 Z: 18 CC for partial structure against native data = 29.95 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.347, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.411, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.499, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.528, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.536, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.549, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.553, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.555, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6151 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1324 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 37.512 2.228 0.753 0.937 1.000 0.895 CB 1.534 B: 10 12.890 1.856 0.553 0.651 1.000 0.889 CB 1.295 C: 21 36.427 2.147 0.707 0.911 1.000 0.750 CB 1.575 D: 22 28.655 2.165 0.436 0.937 1.000 0.857 CB 1.400 22 residues pruned to eliminate duplicates E: 20 39.234 2.254 0.808 0.935 1.000 1.000 CB 1.539 20 residues pruned to eliminate duplicates F: 32 13.235 1.940 0.563 0.261 0.871 0.581 CB 1.183 G: 21 35.974 2.220 0.850 0.919 0.950 0.650 CB 1.453 22 residues pruned to eliminate duplicates H: 20 43.235 2.243 1.011 0.930 1.000 0.684 CB 1.538 20 residues pruned to eliminate duplicates I: 11 17.989 2.056 0.845 0.898 0.900 0.700 CB 1.192 J: 21 41.427 2.218 0.876 0.955 1.000 0.850 CB 1.531 20 residues pruned to eliminate duplicates K: 61 46.639 2.078 0.775 0.636 0.983 0.567 CB 1.461 21 residues pruned to eliminate duplicates L: 20 26.245 2.098 0.398 0.929 1.000 0.895 CB 1.436 M: 13 12.817 2.042 0.712 0.541 0.833 0.667 CB 1.220 N: 19 29.570 2.058 0.692 0.934 1.000 0.778 CA 1.395 O: 12 9.440 1.995 0.148 0.482 1.000 0.818 CB 1.265 12 residues pruned to eliminate duplicates P: 21 31.729 2.066 0.564 0.935 1.000 0.900 CB 1.530 20 residues pruned to eliminate duplicates Q: 20 41.384 2.246 0.946 0.944 1.000 0.947 CB 1.504 20 residues pruned to eliminate duplicates R: 21 31.810 2.188 0.620 0.919 0.950 0.700 CB 1.488 21 residues pruned to eliminate duplicates S: 21 38.095 2.184 0.822 0.935 1.000 0.850 CB 1.492 21 residues pruned to eliminate duplicates T: 21 14.466 1.859 0.525 0.362 0.950 0.600 CB 1.394 U: 9 11.550 1.779 0.542 0.788 0.875 0.875 CA 1.320 8 residues pruned to eliminate duplicates V: 32 18.958 1.989 0.477 0.472 0.935 0.581 CB 1.275 10 residues pruned to eliminate duplicates W: 6 8.107 1.834 0.232 0.607 1.000 1.000 C 1.449 X: 22 30.513 2.131 0.596 0.912 1.000 0.905 CB 1.387 22 residues pruned to eliminate duplicates Y: 21 45.300 2.246 1.009 0.954 1.000 1.000 CB 1.543 21 residues pruned to eliminate duplicates Z: 20 40.734 2.261 0.958 0.936 0.947 0.947 CB 1.551 20 residues pruned to eliminate duplicates Z: 12 15.396 2.016 0.483 0.826 0.909 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 14 8.399 1.462 0.499 0.817 1.000 0.769 CB 0.807 Z: 8 17.981 2.201 1.354 0.567 0.857 0.714 CA 1.435 8 residues pruned to eliminate duplicates Z: 22 25.506 1.992 0.444 0.918 0.952 0.857 CB 1.433 22 residues pruned to eliminate duplicates Z: 20 37.187 2.241 0.832 0.912 1.000 0.474 CB 1.472 20 residues pruned to eliminate duplicates Z: 8 10.556 1.919 0.383 0.531 0.857 0.571 CB 1.700 6 residues pruned to eliminate duplicates Z: 11 14.785 1.866 0.860 0.612 0.900 0.800 CB 1.347 Z: 21 36.648 2.162 0.809 0.929 1.000 0.700 CB 1.467 20 residues pruned to eliminate duplicates Z: 22 32.131 1.995 0.702 0.936 1.000 1.000 CB 1.438 21 residues pruned to eliminate duplicates Z: 31 28.002 2.010 0.606 0.715 1.000 0.800 CA 1.304 21 residues pruned to eliminate duplicates Z: 19 30.339 2.227 0.563 0.922 1.000 0.778 CB 1.444 19 residues pruned to eliminate duplicates Z: 12 11.924 2.003 0.673 0.450 0.909 0.545 CB 1.242 Z: 54 36.520 2.133 0.721 0.510 0.906 0.623 CB 1.494 30 residues pruned to eliminate duplicates Z: 22 23.830 2.168 0.328 0.907 0.952 0.810 CB 1.349 22 residues pruned to eliminate duplicates Z: 9 8.976 1.757 0.835 0.492 0.875 0.750 CA 1.134 Z: 19 7.906 1.964 0.176 0.436 0.722 0.389 CB 1.194 Z: 12 13.050 1.915 0.555 0.737 0.818 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 20 37.261 2.225 0.765 0.936 1.000 0.895 CB 1.515 20 residues pruned to eliminate duplicates Z: 10 12.184 1.783 0.516 0.835 0.889 0.778 CB 1.266 Z: 6 6.622 1.700 0.532 0.484 1.000 0.400 CB 1.155 Z: 22 35.598 2.049 0.832 0.914 1.000 0.952 CB 1.463 22 residues pruned to eliminate duplicates Z: 17 17.927 1.839 0.528 0.812 0.875 0.812 CB 1.390 17 residues pruned to eliminate duplicates Z: 21 30.971 2.139 0.687 0.904 0.950 0.700 CB 1.439 20 residues pruned to eliminate duplicates Z: 20 30.916 1.991 0.722 0.920 1.000 0.632 CA 1.457 19 residues pruned to eliminate duplicates Z: 33 17.117 1.906 0.521 0.459 0.875 0.625 CB 1.243 33 residues pruned to eliminate duplicates Z: 11 15.117 2.129 0.833 0.353 1.000 0.400 CB 1.436 11 residues pruned to eliminate duplicates Z: 10 12.804 1.702 0.478 0.771 1.000 0.444 CA 1.334 9 residues pruned to eliminate duplicates Z: 18 24.769 2.066 0.587 0.926 1.000 0.765 CA 1.285 18 residues pruned to eliminate duplicates Z: 20 45.939 2.259 1.082 0.953 1.000 0.789 CB 1.542 20 residues pruned to eliminate duplicates Z: 21 40.678 2.198 0.909 0.884 1.000 0.450 CB 1.566 21 residues pruned to eliminate duplicates Z: 6 8.065 1.701 0.873 0.462 1.000 0.400 CB 1.177 6 residues pruned to eliminate duplicates Z: 11 8.787 1.833 0.405 0.390 1.000 0.500 CB 1.212 Z: 10 17.236 2.083 0.740 0.891 1.000 0.778 CB 1.140 10 residues pruned to eliminate duplicates Z: 36 16.922 2.040 0.536 0.326 0.886 0.486 CB 1.249 48 residues pruned to eliminate duplicates Z: 6 6.835 1.788 0.088 0.707 1.000 0.600 CA 1.302 Z: 9 11.004 1.800 0.585 0.875 0.750 0.625 CA 1.322 9 residues pruned to eliminate duplicates Z: 21 33.507 2.161 0.683 0.920 1.000 0.850 CB 1.451 21 residues pruned to eliminate duplicates Z: 21 37.501 2.088 0.895 0.931 1.000 0.600 CB 1.481 22 residues pruned to eliminate duplicates Z: 33 19.215 1.948 0.588 0.493 0.938 0.594 CB 1.180 32 residues pruned to eliminate duplicates Z: 21 30.816 2.126 0.529 0.922 1.000 1.000 CB 1.491 21 residues pruned to eliminate duplicates Z: 11 13.168 1.953 0.443 0.919 1.000 0.600 CB 1.041 11 residues pruned to eliminate duplicates Z: 13 16.824 1.974 0.643 0.895 1.000 0.833 CB 1.073 12 residues pruned to eliminate duplicates Z: 33 16.713 1.943 0.421 0.491 0.875 0.594 CB 1.233 33 residues pruned to eliminate duplicates Z: 13 10.909 1.910 0.369 0.467 0.917 0.750 CB 1.358 11 residues pruned to eliminate duplicates Z: 20 39.273 2.228 0.976 0.918 1.000 0.421 CB 1.443 20 residues pruned to eliminate duplicates Z: 22 31.563 2.041 0.851 0.914 1.000 0.762 CB 1.289 22 residues pruned to eliminate duplicates Z: 20 34.347 2.242 0.861 0.893 0.947 0.526 CB 1.431 20 residues pruned to eliminate duplicates Z: 19 14.472 2.139 0.880 0.364 0.833 0.500 CB 1.178 17 residues pruned to eliminate duplicates Z: 11 17.221 1.980 1.034 0.876 1.000 0.600 CB 0.983 11 residues pruned to eliminate duplicates Z: 9 15.429 1.788 0.722 0.851 1.000 0.875 CA 1.312 9 residues pruned to eliminate duplicates Z: 20 40.520 2.252 0.985 0.908 1.000 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 6 6.364 1.762 0.812 0.570 0.600 0.600 CB 1.389 Z: 12 11.946 1.793 0.715 0.553 0.818 0.727 CB 1.360 12 residues pruned to eliminate duplicates Z: 25 13.246 1.853 0.601 0.338 0.958 0.458 CB 1.135 Z: 75 37.247 2.008 0.526 0.572 0.932 0.689 CB 1.414 45 residues pruned to eliminate duplicates Z: 12 23.161 2.016 0.954 0.923 1.000 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 13 8.270 1.817 0.498 0.357 0.833 0.667 CB 1.228 11 residues pruned to eliminate duplicates Z: 20 42.748 2.251 1.022 0.945 1.000 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 35 22.877 2.103 0.660 0.439 0.824 0.500 CB 1.453 36 residues pruned to eliminate duplicates Z: 23 14.343 1.925 0.435 0.415 0.955 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 6 6.903 2.013 0.952 0.531 0.600 0.600 N 1.270 Z: 32 17.138 1.936 0.546 0.459 0.871 0.613 CB 1.232 32 residues pruned to eliminate duplicates Z: 9 16.907 1.987 0.684 0.821 1.000 0.750 CB 1.353 9 residues pruned to eliminate duplicates Z: 30 21.518 1.989 0.835 0.323 0.931 0.448 CA 1.429 Z: 19 13.757 1.720 0.793 0.520 0.944 0.611 CB 1.091 20 residues pruned to eliminate duplicates Z: 22 18.418 1.968 0.583 0.528 0.857 0.524 CA 1.464 21 residues pruned to eliminate duplicates Z: 26 16.952 1.878 0.535 0.450 0.920 0.480 CA 1.345 22 residues pruned to eliminate duplicates Z: 17 25.755 2.043 0.594 0.943 1.000 0.938 CA 1.370 17 residues pruned to eliminate duplicates Z: 61 43.582 2.070 0.728 0.619 0.967 0.617 CA 1.455 72 residues pruned to eliminate duplicates Z: 32 13.252 1.808 0.547 0.341 0.839 0.452 CB 1.206 13 residues pruned to eliminate duplicates Z: 8 10.206 2.004 0.319 0.667 0.857 0.714 CB 1.459 Z: 16 14.924 1.817 0.658 0.511 0.933 0.533 CA 1.355 16 residues pruned to eliminate duplicates Z: 20 45.108 2.242 1.046 0.954 1.000 0.842 CB 1.551 20 residues pruned to eliminate duplicates Z: 8 4.382 1.727 0.120 0.420 0.714 0.429 C 1.304 Z: 19 14.338 1.950 0.330 0.532 0.944 0.611 CB 1.338 8 residues pruned to eliminate duplicates Z: 20 33.732 2.115 0.758 0.928 1.000 0.947 CB 1.457 20 residues pruned to eliminate duplicates Z: 22 30.628 2.142 0.457 0.902 1.000 0.762 CB 1.527 22 residues pruned to eliminate duplicates 7 1.593 1.554 0.102 0.292 0.500 0.500 CB 0.959 ? Z: 19 10.894 1.963 0.422 0.386 0.833 0.389 CB 1.246 18 residues pruned to eliminate duplicates Z: 40 16.773 1.987 0.505 0.308 0.872 0.513 CB 1.274 19 residues pruned to eliminate duplicates Z: 6 3.313 1.686 0.428 0.480 0.600 0.600 N 1.047 6 residues pruned to eliminate duplicates Z: 10 13.227 1.660 0.566 0.799 1.000 0.667 CA 1.306 10 residues pruned to eliminate duplicates Z: 10 5.630 1.685 0.419 0.452 0.778 0.556 CB 1.061 Z: 18 24.415 2.053 0.427 0.907 1.000 0.941 CA 1.436 18 residues pruned to eliminate duplicates Z: 21 7.522 1.768 0.505 0.321 0.700 0.350 CB 1.100 Z: 7 9.797 1.709 1.147 0.477 0.833 0.667 CA 1.339 7 residues pruned to eliminate duplicates Z: 59 35.627 2.047 0.653 0.502 0.931 0.672 CA 1.482 56 residues pruned to eliminate duplicates Z: 19 19.765 1.994 0.995 0.377 0.944 0.556 CA 1.414 19 residues pruned to eliminate duplicates Z: 18 32.777 2.054 0.882 0.921 1.000 0.588 CA 1.447 18 residues pruned to eliminate duplicates Z: 16 14.429 1.991 0.525 0.475 0.933 0.533 CB 1.348 Z: 9 16.787 1.734 1.029 0.760 1.000 0.750 CA 1.339 Z: 6 5.816 1.844 0.726 0.492 0.800 0.600 CA 1.030 6 residues pruned to eliminate duplicates Z: 12 9.075 1.689 0.483 0.537 0.909 0.636 CB 1.160 Z: 7 5.026 1.526 0.758 0.411 0.833 0.667 N 1.008 Z: 21 35.365 2.062 0.946 0.931 1.000 0.650 CB 1.377 21 residues pruned to eliminate duplicates Z: 17 9.024 1.863 0.718 0.308 0.812 0.312 CB 1.074 Z: 18 25.116 2.009 1.061 0.611 1.000 0.706 CB 1.324 15 residues pruned to eliminate duplicates Z: 23 27.096 1.970 0.820 0.886 0.955 0.364 CB 1.217 23 residues pruned to eliminate duplicates Z: 27 24.543 2.218 0.667 0.433 0.923 0.654 CB 1.512 27 residues pruned to eliminate duplicates Z: 8 7.417 1.983 0.911 0.398 0.714 0.429 CA 1.154 8 residues pruned to eliminate duplicates Z: 7 4.832 1.708 0.134 0.681 1.000 0.833 CB 0.862 Z: 33 16.106 1.948 0.622 0.423 0.844 0.438 CB 1.157 9 residues pruned to eliminate duplicates Z: 13 12.609 1.913 0.356 0.502 0.917 0.667 CB 1.527 13 residues pruned to eliminate duplicates Z: 20 35.330 2.106 0.947 0.913 0.947 0.526 CB 1.476 24 residues pruned to eliminate duplicates Z: 11 21.215 2.039 1.094 0.877 1.000 0.800 CB 1.141 11 residues pruned to eliminate duplicates Z: 20 25.986 1.992 0.669 0.924 0.947 0.842 CA 1.329 20 residues pruned to eliminate duplicates Z: 17 15.068 1.953 0.831 0.432 0.875 0.562 CB 1.291 17 residues pruned to eliminate duplicates Z: 20 23.883 1.995 0.547 0.906 1.000 0.895 CA 1.262 20 residues pruned to eliminate duplicates Z: 63 34.307 1.999 0.498 0.601 0.952 0.742 CB 1.389 63 residues pruned to eliminate duplicates Z: 9 14.436 1.924 0.756 0.514 1.000 0.625 CB 1.490 9 residues pruned to eliminate duplicates Z: 32 17.235 1.978 0.546 0.450 0.839 0.548 CB 1.270 33 residues pruned to eliminate duplicates Z: 6 3.917 1.787 0.691 0.292 0.600 0.400 CA 1.220 6 residues pruned to eliminate duplicates Z: 22 11.051 1.867 0.507 0.456 0.857 0.619 CB 1.046 10 residues pruned to eliminate duplicates Z: 16 10.220 2.022 0.656 0.327 0.733 0.333 CB 1.300 16 residues pruned to eliminate duplicates Z: 12 8.902 1.675 0.417 0.412 1.000 0.545 CA 1.239 9 residues pruned to eliminate duplicates Z: 8 10.051 1.834 0.363 0.485 1.000 0.714 CB 1.542 Z: 10 13.249 1.687 1.031 0.728 0.889 0.778 CB 1.180 10 residues pruned to eliminate duplicates Z: 31 17.696 2.016 0.485 0.443 0.833 0.533 CB 1.373 31 residues pruned to eliminate duplicates Z: 21 38.514 2.239 0.810 0.928 1.000 0.850 CB 1.488 21 residues pruned to eliminate duplicates Z: 28 12.817 1.933 0.556 0.338 0.778 0.556 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 24.963 2.104 0.346 0.933 1.000 1.000 CB 1.643 15 residues pruned to eliminate duplicates Z: 34 35.721 2.101 0.626 0.708 0.939 0.788 CB 1.604 34 residues pruned to eliminate duplicates Z: 30 20.122 2.063 0.590 0.427 0.828 0.552 CB 1.485 40 residues pruned to eliminate duplicates Z: 10 13.876 1.733 0.943 0.886 1.000 0.667 CB 0.991 Z: 10 7.291 1.813 0.369 0.390 1.000 0.667 CB 1.099 10 residues pruned to eliminate duplicates Z: 10 11.751 1.813 0.472 0.808 0.889 0.667 CA 1.263 Z: 14 11.351 1.885 0.392 0.494 1.000 0.769 CB 1.207 Z: 27 21.839 2.140 0.878 0.353 0.846 0.462 CB 1.476 30 residues pruned to eliminate duplicates Z: 6 7.879 1.796 0.686 0.568 1.000 0.600 CB 1.090 8 residues pruned to eliminate duplicates Z: 45 35.258 2.038 0.535 0.683 1.000 0.705 CB 1.436 45 residues pruned to eliminate duplicates Z: 72 43.729 2.045 0.685 0.617 0.944 0.634 CB 1.428 73 residues pruned to eliminate duplicates Z: 28 14.006 1.988 0.828 0.396 0.704 0.481 CB 1.176 27 residues pruned to eliminate duplicates Z: 23 14.222 1.922 0.503 0.427 0.864 0.682 CB 1.312 23 residues pruned to eliminate duplicates Z: 23 32.865 1.981 0.838 0.932 1.000 0.727 CB 1.344 21 residues pruned to eliminate duplicates Z: 16 9.179 1.720 0.425 0.393 0.933 0.600 CB 1.161 Z: 34 39.893 2.106 0.817 0.711 1.000 0.788 CA 1.498 34 residues pruned to eliminate duplicates Z: 12 12.736 1.902 0.493 0.890 1.000 1.000 CB 0.973 12 residues pruned to eliminate duplicates Z: 9 9.322 1.808 0.040 0.821 0.875 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 10 17.308 1.974 1.072 0.597 1.000 0.667 CB 1.286 10 residues pruned to eliminate duplicates Z: 9 14.408 2.053 0.519 0.587 1.000 0.500 CB 1.503 9 residues pruned to eliminate duplicates Z: 19 10.527 1.657 0.276 0.410 1.000 0.667 CA 1.289 15 residues pruned to eliminate duplicates Z: 20 40.209 2.235 0.926 0.930 1.000 0.737 CB 1.499 20 residues pruned to eliminate duplicates Z: 52 22.777 2.018 0.570 0.375 0.863 0.608 CB 1.334 52 residues pruned to eliminate duplicates Z: 9 7.373 1.782 0.383 0.531 0.875 0.750 CA 1.172 Z: 85 42.196 1.969 0.729 0.535 0.905 0.619 CB 1.444 98 residues pruned to eliminate duplicates Z: 13 15.326 1.807 0.960 0.417 1.000 0.667 CA 1.363 13 residues pruned to eliminate duplicates Z: 11 6.873 2.036 0.320 0.399 0.700 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 12 8.275 1.764 0.334 0.419 0.909 0.455 CB 1.269 12 residues pruned to eliminate duplicates Z: 11 14.711 2.049 1.158 0.570 0.900 0.700 CB 1.092 11 residues pruned to eliminate duplicates Z: 12 12.288 1.953 0.758 0.495 0.818 0.364 CA 1.325 12 residues pruned to eliminate duplicates Z: 10 7.866 1.798 0.440 0.820 0.667 0.667 CB 1.151 Z: 6 8.335 1.735 0.567 0.678 0.800 0.800 CA 1.455 6 residues pruned to eliminate duplicates Z: 20 9.587 1.899 0.260 0.397 0.895 0.526 CB 1.146 20 residues pruned to eliminate duplicates Z: 12 13.173 1.963 0.755 0.549 0.909 0.455 CA 1.208 12 residues pruned to eliminate duplicates Z: 11 5.790 1.707 0.263 0.404 0.800 0.500 CB 1.173 11 residues pruned to eliminate duplicates Z: 19 17.569 1.923 0.828 0.456 0.889 0.667 CB 1.386 21 residues pruned to eliminate duplicates Z: 29 22.399 1.971 0.702 0.461 0.929 0.536 CA 1.414 29 residues pruned to eliminate duplicates Z: 13 9.912 1.900 0.453 0.387 0.833 0.750 CA 1.402 13 residues pruned to eliminate duplicates Z: 10 3.302 1.488 0.107 0.339 0.778 0.333 O 1.024 Z: 18 18.980 1.949 0.899 0.640 0.882 0.529 CB 1.236 18 residues pruned to eliminate duplicates Z: 6 3.581 1.300 0.807 0.615 0.800 0.800 CA 0.764 6 residues pruned to eliminate duplicates Z: 18 12.414 1.876 0.616 0.487 0.882 0.706 CB 1.141 18 residues pruned to eliminate duplicates Z: 16 10.417 1.716 0.470 0.544 0.800 0.467 CA 1.276 Z: 18 10.342 1.988 0.447 0.351 0.824 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 19 9.643 1.763 0.305 0.293 0.889 0.444 CA 1.403 19 residues pruned to eliminate duplicates Z: 9 12.397 1.757 0.324 0.759 1.000 0.500 CA 1.497 9 residues pruned to eliminate duplicates Z: 6 3.194 1.508 0.487 0.308 0.600 0.600 CB 1.313 Z: 8 4.573 1.657 0.374 0.459 0.714 0.571 CA 1.108 Z: 6 3.932 1.576 -0.307 0.681 1.000 0.600 N 1.362 6 residues pruned to eliminate duplicates Z: 7 6.835 1.707 0.315 0.568 1.000 1.000 CA 1.164 Z: 6 2.608 1.592 0.206 0.476 0.600 0.600 CA 1.037 6 residues pruned to eliminate duplicates Z: 11 11.782 1.952 0.188 0.904 1.000 0.900 CB 1.144 11 residues pruned to eliminate duplicates Z: 14 9.345 1.669 1.001 0.365 0.769 0.538 CA 1.166 6 residues pruned to eliminate duplicates Z: 47 30.204 1.977 0.610 0.570 0.935 0.674 CA 1.399 47 residues pruned to eliminate duplicates Z: 22 10.653 2.002 0.531 0.288 0.810 0.571 CB 1.189 22 residues pruned to eliminate duplicates Z: 24 22.325 2.014 0.723 0.476 0.870 0.652 CB 1.581 24 residues pruned to eliminate duplicates Z: 24 14.951 1.981 0.551 0.471 0.826 0.565 CB 1.264 24 residues pruned to eliminate duplicates Z: 17 24.326 2.049 0.494 0.931 1.000 0.938 CA 1.388 17 residues pruned to eliminate duplicates Z: 9 11.937 1.741 0.221 0.875 1.000 0.875 CA 1.444 9 residues pruned to eliminate duplicates Z: 16 17.229 2.051 0.696 0.509 0.867 0.667 CB 1.462 16 residues pruned to eliminate duplicates Z: 12 6.163 1.976 0.353 0.411 0.727 0.727 CB 1.049 12 residues pruned to eliminate duplicates Z: 21 22.298 1.913 0.360 0.912 1.000 0.900 CA 1.357 21 residues pruned to eliminate duplicates Z: 44 41.511 2.069 0.907 0.674 0.907 0.605 CB 1.506 44 residues pruned to eliminate duplicates Z: 12 11.528 1.898 0.392 0.906 1.000 0.636 CB 0.936 12 residues pruned to eliminate duplicates Z: 8 7.361 1.951 0.090 0.843 0.714 0.429 CB 1.365 8 residues pruned to eliminate duplicates Z: 15 10.964 1.725 0.667 0.485 0.857 0.643 CB 1.207 14 residues pruned to eliminate duplicates Z: 22 36.760 2.031 0.793 0.932 1.000 0.952 CB 1.539 23 residues pruned to eliminate duplicates Z: 7 3.497 1.724 0.125 0.147 0.833 0.333 CB 1.365 7 residues pruned to eliminate duplicates Z: 6 12.444 2.111 0.914 0.549 1.000 0.600 CB 1.312 6 residues pruned to eliminate duplicates Z: 10 10.299 1.714 0.528 0.909 1.000 1.000 CA 0.930 10 residues pruned to eliminate duplicates Z: 20 33.711 2.016 0.782 0.929 1.000 0.526 CA 1.506 20 residues pruned to eliminate duplicates Z: 21 13.964 1.752 0.693 0.404 0.900 0.550 CA 1.294 21 residues pruned to eliminate duplicates Z: 19 28.136 2.214 0.418 0.937 1.000 1.000 CB 1.469 19 residues pruned to eliminate duplicates Z: 39 34.414 2.067 0.625 0.718 0.974 0.737 CB 1.402 39 residues pruned to eliminate duplicates Z: 16 7.352 1.993 0.297 0.375 0.667 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 32 20.819 1.983 0.527 0.473 0.968 0.677 CB 1.312 32 residues pruned to eliminate duplicates Z: 6 5.573 1.280 0.671 0.834 1.000 0.400 CA 0.874 6 residues pruned to eliminate duplicates Z: 20 41.932 2.233 1.099 0.932 1.000 0.737 CB 1.434 20 residues pruned to eliminate duplicates Z: 6 2.756 1.308 0.501 0.493 0.800 0.600 CB 0.790 Z: 9 12.505 1.704 0.497 0.872 0.875 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 8 6.847 1.714 0.681 0.451 0.857 0.571 CA 1.101 8 residues pruned to eliminate duplicates Z: 44 25.804 1.958 0.728 0.437 0.884 0.442 CB 1.404 44 residues pruned to eliminate duplicates Z: 24 15.889 1.970 0.594 0.358 0.870 0.478 CB 1.414 24 residues pruned to eliminate duplicates Z: 23 14.321 1.841 0.524 0.451 0.909 0.727 CB 1.258 21 residues pruned to eliminate duplicates Z: 11 5.854 1.772 0.496 0.337 0.900 0.400 CB 0.927 Z: 7 12.812 1.941 0.655 0.752 1.000 1.000 CA 1.300 7 residues pruned to eliminate duplicates Z: 10 13.199 1.706 0.441 0.829 1.000 0.778 CA 1.346 10 residues pruned to eliminate duplicates Z: 21 13.905 1.919 0.472 0.461 0.900 0.650 CB 1.272 21 residues pruned to eliminate duplicates Z: 20 47.919 2.242 1.290 0.931 1.000 0.737 CB 1.496 20 residues pruned to eliminate duplicates Z: 8 6.857 1.568 0.368 0.670 0.857 0.286 CA 1.205 Z: 16 14.993 1.932 0.452 0.585 0.933 0.667 CB 1.363 18 residues pruned to eliminate duplicates Z: 21 24.442 2.047 0.377 0.918 1.000 0.800 CB 1.368 21 residues pruned to eliminate duplicates Z: 8 6.057 1.706 0.803 0.360 0.714 0.429 CB 1.211 6 residues pruned to eliminate duplicates Z: 33 16.678 1.894 0.428 0.480 0.938 0.656 CB 1.186 33 residues pruned to eliminate duplicates Z: 11 13.986 1.975 0.472 0.873 1.000 0.800 CB 1.108 11 residues pruned to eliminate duplicates Z: 6 7.015 2.062 0.888 0.536 0.600 0.600 CB 1.296 Z: 22 13.795 1.917 0.544 0.480 0.857 0.571 CB 1.211 22 residues pruned to eliminate duplicates Z: 20 25.384 2.014 0.632 0.909 0.947 0.842 CA 1.328 20 residues pruned to eliminate duplicates Z: 20 10.120 1.976 0.273 0.400 0.895 0.474 CB 1.147 20 residues pruned to eliminate duplicates Z: 22 28.052 1.864 0.901 0.879 0.952 0.571 CA 1.316 22 residues pruned to eliminate duplicates Z: 32 35.077 2.090 0.569 0.728 0.968 0.839 CA 1.616 32 residues pruned to eliminate duplicates Z: 27 13.158 1.909 0.584 0.393 0.808 0.500 CB 1.184 27 residues pruned to eliminate duplicates Z: 22 39.025 2.182 0.973 0.908 1.000 0.571 CB 1.404 22 residues pruned to eliminate duplicates Z: 9 7.877 1.687 0.183 0.767 0.750 0.500 C 1.468 9 residues pruned to eliminate duplicates Z: 15 8.299 1.686 0.484 0.569 1.000 0.429 CB 0.829 15 residues pruned to eliminate duplicates Z: 38 35.509 2.086 0.851 0.638 0.946 0.730 CA 1.405 38 residues pruned to eliminate duplicates Z: 9 4.296 1.814 0.432 0.298 0.625 0.500 CA 1.173 9 residues pruned to eliminate duplicates Z: 11 13.323 1.943 0.412 0.911 1.000 0.800 CB 1.088 11 residues pruned to eliminate duplicates Z: 8 17.232 2.083 1.085 0.656 0.857 0.714 CA 1.513 8 residues pruned to eliminate duplicates Z: 21 13.267 1.938 0.420 0.395 1.000 0.550 CB 1.205 21 residues pruned to eliminate duplicates Z: 14 7.687 1.704 0.439 0.445 0.769 0.692 CB 1.196 Z: 21 22.208 2.091 0.652 0.606 0.950 0.850 CA 1.368 21 residues pruned to eliminate duplicates Z: 24 11.921 1.754 0.560 0.409 0.870 0.478 CB 1.149 20 residues pruned to eliminate duplicates Z: 23 18.672 1.986 0.647 0.542 0.909 0.636 CB 1.285 23 residues pruned to eliminate duplicates Z: 11 13.233 1.739 0.618 0.606 0.900 0.800 CB 1.495 11 residues pruned to eliminate duplicates Z: 20 10.386 1.912 0.659 0.330 0.789 0.474 CB 1.146 Z: 12 5.745 1.653 0.172 0.405 0.909 0.818 CB 1.087 12 residues pruned to eliminate duplicates Z: 11 11.943 1.801 0.682 0.624 1.000 0.600 CB 1.109 Z: 12 14.440 1.966 0.594 0.615 0.818 0.727 CB 1.523 22 residues pruned to eliminate duplicates Z: 10 9.079 1.990 0.540 0.342 0.889 0.444 CB 1.319 6 residues pruned to eliminate duplicates Z: 18 14.523 1.766 0.842 0.410 0.941 0.529 CB 1.265 8 residues pruned to eliminate duplicates Z: 32 26.026 2.015 0.915 0.423 0.903 0.613 CA 1.452 32 residues pruned to eliminate duplicates Z: 10 9.123 1.399 0.770 0.680 0.889 0.444 O 1.170 10 residues pruned to eliminate duplicates Z: 25 21.870 1.942 0.748 0.486 0.875 0.625 CB 1.525 23 residues pruned to eliminate duplicates Z: 14 11.255 1.845 0.726 0.527 0.846 0.538 CB 1.128 14 residues pruned to eliminate duplicates Z: 41 29.432 2.048 0.613 0.558 0.925 0.625 CA 1.439 41 residues pruned to eliminate duplicates Z: 35 17.088 2.107 0.494 0.352 0.853 0.471 CB 1.282 35 residues pruned to eliminate duplicates Z: 25 10.773 1.874 0.386 0.408 0.792 0.667 CB 1.178 22 residues pruned to eliminate duplicates Z: 17 13.441 1.929 0.706 0.467 0.875 0.625 CB 1.206 17 residues pruned to eliminate duplicates Z: 28 18.766 2.036 0.774 0.259 0.926 0.519 CB 1.422 28 residues pruned to eliminate duplicates Z: 8 11.113 2.015 0.881 0.400 0.857 0.714 CB 1.437 7 residues pruned to eliminate duplicates Z: 43 23.491 1.964 0.699 0.465 0.833 0.595 CB 1.351 43 residues pruned to eliminate duplicates Z: 20 9.310 2.149 0.603 0.202 0.789 0.368 CB 1.119 25 residues pruned to eliminate duplicates Z: 13 10.141 1.890 0.595 0.609 0.917 0.417 CB 0.955 13 residues pruned to eliminate duplicates Z: 7 10.669 1.908 0.906 0.618 1.000 0.667 CA 1.071 Z: 51 32.440 2.009 0.564 0.630 0.920 0.700 CA 1.404 51 residues pruned to eliminate duplicates Z: 7 3.447 1.511 0.357 0.275 0.667 0.333 CB 1.329 Z: 7 2.957 1.312 0.392 0.400 0.833 0.500 CA 0.881 6 residues pruned to eliminate duplicates Z: 9 15.752 1.983 0.596 0.651 1.000 1.000 CB 1.529 9 residues pruned to eliminate duplicates Z: 21 41.438 2.168 1.038 0.927 1.000 0.750 CB 1.469 21 residues pruned to eliminate duplicates Z: 8 3.514 1.626 0.448 0.211 0.571 0.571 O 1.389 Z: 22 17.303 2.126 0.829 0.289 0.857 0.571 CA 1.436 22 residues pruned to eliminate duplicates Z: 34 14.475 2.023 0.449 0.329 0.818 0.576 CB 1.268 34 residues pruned to eliminate duplicates Z: 35 17.295 1.987 0.536 0.446 0.853 0.500 CB 1.204 35 residues pruned to eliminate duplicates Z: 19 10.581 1.770 0.526 0.499 0.944 0.778 CB 0.978 18 residues pruned to eliminate duplicates Z: 26 22.492 2.033 0.809 0.534 0.800 0.600 CB 1.478 26 residues pruned to eliminate duplicates Z: 9 13.888 1.779 0.293 0.879 1.000 0.750 CA 1.547 9 residues pruned to eliminate duplicates Z: 22 12.720 2.007 0.480 0.314 0.810 0.619 CB 1.419 22 residues pruned to eliminate duplicates Z: 13 11.589 1.976 0.557 0.418 0.833 0.583 CB 1.422 13 residues pruned to eliminate duplicates Z: 21 32.254 2.019 0.739 0.942 1.000 0.850 CA 1.424 21 residues pruned to eliminate duplicates Z: 21 31.392 2.068 0.622 0.935 1.000 0.950 CB 1.458 21 residues pruned to eliminate duplicates Z: 6 6.269 2.060 0.372 0.585 0.800 0.400 CB 1.143 6 residues pruned to eliminate duplicates Z: 19 32.092 2.052 0.894 0.925 0.944 0.722 CA 1.446 19 residues pruned to eliminate duplicates Z: 8 11.305 1.870 0.471 0.874 1.000 1.000 CB 1.130 Z: 35 16.540 1.851 0.470 0.434 0.941 0.588 CB 1.186 35 residues pruned to eliminate duplicates Z: 8 6.258 1.718 0.481 0.511 0.857 0.857 CB 1.073 Z: 8 7.540 1.752 0.518 0.680 1.000 1.000 CA 0.909 8 residues pruned to eliminate duplicates Z: 18 18.924 2.009 0.421 0.638 0.941 0.529 CB 1.500 18 residues pruned to eliminate duplicates Z: 13 14.834 1.855 0.813 0.901 1.000 0.667 CB 0.909 13 residues pruned to eliminate duplicates Z: 60 19.752 2.013 0.470 0.363 0.814 0.508 CB 1.237 61 residues pruned to eliminate duplicates Z: 10 14.632 1.750 0.789 0.859 0.889 0.889 CA 1.289 8 residues pruned to eliminate duplicates Z: 8 6.382 1.687 0.375 0.626 1.000 1.000 N 0.924 Z: 15 6.915 1.733 0.603 0.337 0.786 0.571 CB 1.012 15 residues pruned to eliminate duplicates Z: 27 14.893 1.825 0.429 0.507 0.923 0.462 CB 1.204 29 residues pruned to eliminate duplicates Z: 15 29.603 2.115 0.909 0.884 0.929 0.571 CB 1.525 15 residues pruned to eliminate duplicates Z: 20 13.076 1.956 0.631 0.347 0.789 0.579 CB 1.406 20 residues pruned to eliminate duplicates Z: 29 14.938 2.020 0.386 0.434 0.821 0.536 CB 1.314 29 residues pruned to eliminate duplicates Z: 7 3.971 1.619 0.516 0.321 0.667 0.500 CB 1.206 Z: 21 10.618 1.811 0.442 0.410 0.800 0.450 CB 1.248 21 residues pruned to eliminate duplicates Z: 7 5.575 1.718 0.073 0.535 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 27 16.148 1.934 0.495 0.566 0.846 0.654 CB 1.214 28 residues pruned to eliminate duplicates Z: 10 6.166 1.704 0.493 0.517 0.889 0.667 CB 0.894 5 residues pruned to eliminate duplicates Z: 11 8.195 1.736 0.680 0.550 0.900 0.600 CB 0.940 11 residues pruned to eliminate duplicates Z: 7 2.903 1.410 0.377 0.249 0.833 0.333 N 0.978 Z: 18 12.066 1.974 0.340 0.508 0.824 0.588 CB 1.333 18 residues pruned to eliminate duplicates Z: 6 3.836 1.459 -0.134 0.796 1.000 1.000 C 1.048 Z: 14 14.461 1.955 0.708 0.398 0.923 0.692 CB 1.449 15 residues pruned to eliminate duplicates Z: 46 30.890 1.982 0.554 0.673 0.956 0.778 CA 1.334 46 residues pruned to eliminate duplicates Z: 11 10.131 2.028 0.696 0.372 0.800 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 9 4.093 1.679 0.265 0.469 0.875 0.500 CB 0.804 9 residues pruned to eliminate duplicates Z: 15 7.530 1.776 0.414 0.406 0.857 0.571 CB 1.032 9 residues pruned to eliminate duplicates Z: 11 8.777 1.829 0.116 0.629 1.000 0.300 CA 1.204 11 residues pruned to eliminate duplicates Z: 70 40.226 2.019 0.633 0.603 0.942 0.667 CA 1.414 70 residues pruned to eliminate duplicates Z: 20 30.730 1.952 0.993 0.876 0.947 0.526 CA 1.390 20 residues pruned to eliminate duplicates Z: 60 30.024 1.947 0.519 0.540 0.966 0.644 CA 1.316 60 residues pruned to eliminate duplicates Z: 6 5.957 1.454 0.749 0.777 1.000 0.800 CA 0.820 6 residues pruned to eliminate duplicates Z: 10 9.855 1.657 0.612 0.864 1.000 0.889 CA 0.901 10 residues pruned to eliminate duplicates Z: 19 13.771 1.869 0.429 0.593 0.833 0.667 CA 1.334 19 residues pruned to eliminate duplicates Z: 12 10.342 1.934 0.209 0.531 0.909 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 7 9.240 1.594 0.597 0.619 1.000 0.500 CA 1.324 7 residues pruned to eliminate duplicates Z: 59 18.998 1.991 0.458 0.377 0.776 0.517 CB 1.263 59 residues pruned to eliminate duplicates Z: 21 34.119 2.100 0.783 0.916 0.950 0.800 CB 1.514 21 residues pruned to eliminate duplicates Z: 11 10.878 1.585 0.816 0.827 0.900 0.800 CA 1.001 11 residues pruned to eliminate duplicates Z: 10 14.752 1.766 0.838 0.487 1.000 0.556 CA 1.535 10 residues pruned to eliminate duplicates Z: 22 32.193 1.998 0.923 0.904 0.952 0.429 CB 1.368 22 residues pruned to eliminate duplicates Z: 9 9.888 1.644 0.333 0.830 1.000 0.375 CA 1.199 9 residues pruned to eliminate duplicates Z: 30 10.291 1.741 0.447 0.367 0.862 0.448 CB 1.015 19 residues pruned to eliminate duplicates Z: 22 10.455 1.784 0.597 0.303 0.857 0.429 CB 1.164 24 residues pruned to eliminate duplicates Z: 21 40.971 2.069 1.115 0.940 1.000 0.850 CB 1.454 21 residues pruned to eliminate duplicates Z: 23 18.004 1.982 0.548 0.554 0.864 0.636 CA 1.374 23 residues pruned to eliminate duplicates Z: 14 4.572 1.655 0.488 0.293 0.692 0.385 CB 0.938 14 residues pruned to eliminate duplicates Z: 15 13.592 1.753 0.830 0.533 0.857 0.643 CB 1.280 15 residues pruned to eliminate duplicates Z: 20 14.461 1.823 0.628 0.528 0.842 0.526 CB 1.291 34 residues pruned to eliminate duplicates 6 1.620 1.258 0.182 0.375 0.600 0.600 C 0.928 ? Z: 9 7.225 1.773 0.538 0.438 0.750 0.625 CB 1.332 9 residues pruned to eliminate duplicates Z: 10 7.160 1.634 0.335 0.597 0.778 0.556 N 1.283 10 residues pruned to eliminate duplicates Z: 10 5.127 1.711 0.316 0.440 0.667 0.444 CB 1.212 10 residues pruned to eliminate duplicates Z: 22 23.351 1.935 0.927 0.558 0.857 0.667 CB 1.508 22 residues pruned to eliminate duplicates Z: 8 12.431 2.011 0.766 0.468 1.000 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 10 11.303 1.731 0.540 0.872 0.889 0.556 CB 1.159 9 residues pruned to eliminate duplicates Z: 21 16.303 1.863 0.890 0.389 0.800 0.650 CA 1.455 21 residues pruned to eliminate duplicates Z: 17 18.929 2.020 0.766 0.525 0.938 0.688 CA 1.381 17 residues pruned to eliminate duplicates Z: 16 9.440 1.629 0.397 0.475 0.867 0.667 CB 1.267 16 residues pruned to eliminate duplicates Z: 18 10.603 1.721 0.687 0.391 0.765 0.588 N 1.301 18 residues pruned to eliminate duplicates Z: 17 33.517 2.114 1.054 0.928 0.938 0.625 CB 1.441 17 residues pruned to eliminate duplicates Z: 17 16.795 1.929 0.762 0.557 0.875 0.812 CB 1.335 17 residues pruned to eliminate duplicates Z: 10 3.352 1.482 0.186 0.373 0.667 0.333 CB 1.092 Z: 10 9.747 1.966 -0.122 0.901 1.000 1.000 CB 1.343 10 residues pruned to eliminate duplicates Z: 13 10.965 1.840 0.520 0.405 0.917 0.500 CB 1.364 13 residues pruned to eliminate duplicates Z: 14 11.122 1.820 1.009 0.465 0.769 0.462 CB 1.136 10 residues pruned to eliminate duplicates Z: 9 16.606 1.767 0.734 0.843 1.000 0.625 CA 1.426 9 residues pruned to eliminate duplicates Z: 19 12.966 1.909 0.631 0.447 0.889 0.389 CB 1.166 19 residues pruned to eliminate duplicates Z: 21 26.743 2.152 0.438 0.879 1.000 0.800 CB 1.401 21 residues pruned to eliminate duplicates Z: 22 33.500 2.204 0.724 0.936 1.000 0.762 CB 1.340 22 residues pruned to eliminate duplicates Z: 11 13.636 2.048 0.500 0.428 1.000 0.600 CA 1.513 11 residues pruned to eliminate duplicates Z: 7 4.084 1.580 0.541 0.247 0.833 0.333 CA 1.100 3 residues pruned to eliminate duplicates Z: 7 4.552 1.549 0.082 0.472 1.000 0.833 CB 1.140 Z: 10 5.653 1.684 0.512 0.477 0.778 0.556 CA 0.974 Z: 15 10.757 1.840 0.587 0.340 0.929 0.500 CB 1.262 15 residues pruned to eliminate duplicates Z: 39 18.867 2.044 0.668 0.375 0.816 0.421 CB 1.257 28 residues pruned to eliminate duplicates Z: 10 9.232 2.160 0.568 0.398 0.778 0.444 CB 1.301 10 residues pruned to eliminate duplicates Z: 15 15.485 1.972 0.683 0.565 0.786 0.500 CB 1.490 15 residues pruned to eliminate duplicates Z: 16 12.393 1.980 1.094 0.364 0.800 0.600 CB 1.117 16 residues pruned to eliminate duplicates Z: 25 23.343 2.024 0.666 0.558 0.958 0.625 CA 1.393 26 residues pruned to eliminate duplicates Z: 71 47.646 2.073 0.778 0.619 0.957 0.614 CA 1.443 71 residues pruned to eliminate duplicates Z: 21 17.236 1.906 0.623 0.537 0.950 0.700 CB 1.266 21 residues pruned to eliminate duplicates Z: 9 5.998 1.564 0.433 0.515 0.875 0.625 CB 1.066 6 residues pruned to eliminate duplicates Z: 20 11.632 1.801 0.706 0.413 0.789 0.526 CB 1.206 20 residues pruned to eliminate duplicates Z: 8 3.521 1.575 0.960 0.211 0.714 0.429 CB 0.848 Z: 7 2.378 1.378 0.081 0.559 0.833 0.667 CB 0.739 Z: 6 2.981 1.598 0.078 0.870 1.000 0.800 CA 0.565 6 residues pruned to eliminate duplicates Z: 15 8.342 1.745 0.689 0.385 0.714 0.500 CA 1.197 15 residues pruned to eliminate duplicates Z: 10 7.517 2.004 0.574 0.345 0.778 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 7 3.035 1.556 0.005 0.522 0.833 0.500 C 0.930 Z: 9 8.889 1.787 0.650 0.567 0.875 0.625 CB 1.142 9 residues pruned to eliminate duplicates Z: 33 14.103 1.776 0.701 0.413 0.844 0.500 CB 1.071 35 residues pruned to eliminate duplicates Z: 16 12.275 1.987 0.516 0.454 0.867 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 7 6.128 1.775 0.197 0.579 1.000 0.667 CA 1.091 7 residues pruned to eliminate duplicates Z: 23 14.285 1.869 0.468 0.497 0.909 0.682 CA 1.225 23 residues pruned to eliminate duplicates Z: 12 7.140 1.852 0.178 0.381 0.909 0.545 CB 1.232 12 residues pruned to eliminate duplicates Z: 22 40.566 2.132 1.008 0.924 1.000 0.476 CB 1.452 22 residues pruned to eliminate duplicates Z: 9 14.744 1.728 0.862 0.854 1.000 0.875 CA 1.197 10 residues pruned to eliminate duplicates Z: 12 10.258 1.775 0.565 0.470 0.909 0.636 CA 1.263 12 residues pruned to eliminate duplicates Z: 12 13.536 1.896 0.606 0.536 0.909 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 16 19.598 1.820 0.784 0.862 0.800 0.333 CB 1.429 16 residues pruned to eliminate duplicates Z: 10 6.495 1.715 0.536 0.505 0.667 0.556 CB 1.227 9 residues pruned to eliminate duplicates Z: 6 2.207 1.601 -0.067 0.299 1.000 0.600 CB 0.827 Z: 22 10.109 1.740 0.303 0.415 0.952 0.476 CB 1.117 21 residues pruned to eliminate duplicates Z: 16 18.742 1.963 0.921 0.507 0.933 0.667 CB 1.365 16 residues pruned to eliminate duplicates Z: 19 43.834 2.225 1.211 0.931 1.000 0.500 CB 1.468 19 residues pruned to eliminate duplicates Z: 12 13.359 1.963 0.761 0.440 1.000 0.636 CB 1.239 12 residues pruned to eliminate duplicates Z: 12 11.989 1.905 0.671 0.440 0.818 0.545 CA 1.477 12 residues pruned to eliminate duplicates Z: 16 14.500 2.036 0.344 0.646 1.000 0.867 CA 1.194 16 residues pruned to eliminate duplicates Z: 22 29.538 1.963 0.725 0.932 0.952 0.619 CB 1.396 22 residues pruned to eliminate duplicates Z: 7 4.534 1.752 0.069 0.589 1.000 0.667 CB 0.907 7 residues pruned to eliminate duplicates Z: 14 9.319 1.979 0.635 0.338 0.769 0.538 CB 1.239 8 residues pruned to eliminate duplicates Z: 8 3.460 1.433 0.081 0.575 0.857 0.571 CB 0.916 11 residues pruned to eliminate duplicates Z: 6 8.972 1.754 0.620 0.734 1.000 0.800 CA 1.144 6 residues pruned to eliminate duplicates Z: 11 8.484 1.666 0.427 0.494 0.800 0.600 CB 1.419 10 residues pruned to eliminate duplicates Z: 23 22.738 2.007 0.658 0.592 0.955 0.727 CB 1.398 23 residues pruned to eliminate duplicates Z: 12 8.150 1.719 0.489 0.357 0.818 0.636 N 1.369 12 residues pruned to eliminate duplicates Z: 22 9.704 1.796 0.635 0.269 0.905 0.524 CB 1.037 22 residues pruned to eliminate duplicates Z: 6 3.688 1.399 0.281 0.644 0.800 0.600 CB 1.007 Z: 24 11.679 1.817 0.547 0.341 0.957 0.391 CB 1.078 24 residues pruned to eliminate duplicates Z: 7 3.341 1.557 -0.154 0.664 0.833 0.667 CB 1.068 8 residues pruned to eliminate duplicates Z: 7 5.444 1.380 0.482 0.752 1.000 0.500 N 0.868 Z: 7 7.946 1.748 0.788 0.572 0.833 0.333 CA 1.162 Z: 18 10.485 1.815 0.794 0.358 0.765 0.529 CB 1.190 18 residues pruned to eliminate duplicates Z: 12 12.418 2.029 0.775 0.411 0.818 0.545 CA 1.395 12 residues pruned to eliminate duplicates Z: 8 2.459 1.686 0.705 0.338 0.714 0.429 CA 0.540 8 residues pruned to eliminate duplicates Z: 35 17.352 1.888 0.588 0.378 0.882 0.529 CB 1.281 35 residues pruned to eliminate duplicates Z: 14 12.054 1.862 0.508 0.379 0.923 0.385 CB 1.466 14 residues pruned to eliminate duplicates Z: 6 4.406 1.759 0.522 0.575 0.800 0.600 CB 0.856 5 residues pruned to eliminate duplicates Z: 49 29.362 2.021 0.616 0.555 0.854 0.625 CB 1.440 49 residues pruned to eliminate duplicates Z: 7 2.369 1.276 0.597 0.363 0.667 0.667 N 0.825 Z: 11 18.231 1.845 0.937 0.697 1.000 0.800 CB 1.348 19 residues pruned to eliminate duplicates Z: 10 9.453 1.924 1.049 0.384 0.778 0.444 CB 1.162 10 residues pruned to eliminate duplicates Z: 11 8.118 1.578 0.224 0.632 1.000 0.500 C 1.174 11 residues pruned to eliminate duplicates Z: 8 2.051 1.571 0.240 0.295 0.429 0.429 CA 1.168 8 residues pruned to eliminate duplicates Z: 10 10.799 1.876 0.574 0.928 1.000 0.889 CB 0.854 10 residues pruned to eliminate duplicates Z: 11 10.222 1.689 0.850 0.457 0.800 0.600 CA 1.352 11 residues pruned to eliminate duplicates Z: 21 37.810 2.159 0.830 0.941 1.000 1.000 CB 1.486 21 residues pruned to eliminate duplicates Z: 13 5.457 1.566 0.084 0.292 0.917 0.333 CB 1.277 8 residues pruned to eliminate duplicates Z: 8 15.035 2.007 0.935 0.649 1.000 0.714 CA 1.273 9 residues pruned to eliminate duplicates Z: 35 35.624 2.134 0.764 0.642 0.971 0.735 CA 1.464 35 residues pruned to eliminate duplicates Z: 6 2.889 1.418 0.466 0.326 0.800 0.600 C 0.940 Z: 9 3.871 1.392 0.312 0.403 0.750 0.625 CA 1.106 9 residues pruned to eliminate duplicates Z: 12 9.614 1.683 0.600 0.602 0.909 0.727 CB 1.075 11 residues pruned to eliminate duplicates Z: 7 6.440 1.665 0.721 0.556 0.667 0.500 CB 1.304 7 residues pruned to eliminate duplicates Z: 6 5.087 1.390 0.942 0.794 0.800 0.600 CB 0.814 Z: 13 9.645 1.753 0.618 0.475 0.917 0.500 CA 1.098 12 residues pruned to eliminate duplicates Z: 41 26.785 1.911 0.655 0.560 0.950 0.500 CB 1.330 41 residues pruned to eliminate duplicates Z: 14 5.711 1.688 0.612 0.252 0.692 0.385 CB 1.118 14 residues pruned to eliminate duplicates Z: 8 5.814 1.692 0.653 0.667 0.857 0.714 N 0.785 8 residues pruned to eliminate duplicates Z: 11 3.468 1.477 0.253 0.285 0.600 0.400 N 1.258 11 residues pruned to eliminate duplicates Z: 7 5.249 1.754 0.420 0.563 0.833 0.833 CB 0.971 7 residues pruned to eliminate duplicates Z: 6 6.245 1.688 -0.040 0.679 1.000 0.800 CB 1.461 6 residues pruned to eliminate duplicates Z: 8 7.107 1.910 0.633 0.297 0.857 0.714 CA 1.260 5 residues pruned to eliminate duplicates Z: 20 12.746 1.796 0.568 0.404 0.895 0.579 CB 1.283 20 residues pruned to eliminate duplicates Z: 42 31.217 2.094 0.726 0.475 0.927 0.659 CA 1.492 42 residues pruned to eliminate duplicates Z: 10 4.167 1.703 0.057 0.355 0.889 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 18 12.094 1.947 0.471 0.420 0.941 0.588 CA 1.183 18 residues pruned to eliminate duplicates Z: 8 9.540 1.767 0.971 0.547 0.714 0.714 CB 1.384 8 residues pruned to eliminate duplicates Z: 30 30.419 2.129 0.449 0.734 0.931 0.828 CA 1.594 30 residues pruned to eliminate duplicates Z: 12 4.810 1.682 0.103 0.514 1.000 0.455 CB 0.771 12 residues pruned to eliminate duplicates Z: 6 4.831 1.484 0.718 0.814 0.800 0.800 CB 0.806 6 residues pruned to eliminate duplicates Z: 44 28.036 1.930 0.775 0.443 0.930 0.535 CB 1.421 44 residues pruned to eliminate duplicates Z: 38 37.458 2.074 0.742 0.654 1.000 0.757 CA 1.476 38 residues pruned to eliminate duplicates Z: 6 6.316 1.783 0.016 0.792 1.000 0.800 N 1.207 Z: 9 8.938 1.803 0.619 0.499 1.000 0.375 CB 1.084 9 residues pruned to eliminate duplicates Z: 29 11.799 1.884 0.823 0.306 0.643 0.429 CB 1.254 32 residues pruned to eliminate duplicates Z: 7 3.943 1.452 0.497 0.505 0.833 0.833 CA 0.885 Z: 20 10.904 1.777 0.445 0.448 0.895 0.632 CB 1.149 18 residues pruned to eliminate duplicates Z: 15 13.378 2.078 0.647 0.278 0.929 0.500 CB 1.446 15 residues pruned to eliminate duplicates Z: 11 5.068 1.717 0.288 0.324 0.800 0.500 CA 1.099 11 residues pruned to eliminate duplicates Z: 7 5.189 1.490 0.069 0.711 1.000 0.667 CA 1.097 Z: 21 11.666 1.900 0.329 0.492 0.900 0.700 CB 1.156 21 residues pruned to eliminate duplicates Z: 12 4.573 1.456 0.356 0.441 0.636 0.364 CB 1.166 Z: 14 3.885 1.455 0.385 0.290 0.615 0.385 CB 1.099 11 residues pruned to eliminate duplicates Z: 33 18.473 2.019 0.490 0.461 0.875 0.562 CB 1.291 33 residues pruned to eliminate duplicates Z: 15 17.293 1.934 0.657 0.598 1.000 0.786 CB 1.313 15 residues pruned to eliminate duplicates Z: 6 4.131 1.444 0.518 0.581 0.800 0.800 CB 0.975 Z: 6 3.430 1.715 0.275 0.376 0.600 0.600 N 1.335 Z: 23 32.039 1.986 0.826 0.931 1.000 0.864 CB 1.317 22 residues pruned to eliminate duplicates Z: 20 11.483 1.907 0.816 0.335 0.737 0.579 CB 1.237 20 residues pruned to eliminate duplicates Z: 6 2.514 1.212 0.471 0.346 0.800 0.600 C 0.931 Z: 6 3.880 1.539 0.704 0.444 0.600 0.600 CA 1.169 Z: 12 17.752 1.970 0.755 0.925 1.000 0.909 CB 1.086 12 residues pruned to eliminate duplicates Z: 6 3.311 1.551 -0.283 0.757 1.000 0.600 CB 1.059 4 residues pruned to eliminate duplicates 6 1.460 1.370 0.091 0.301 0.600 0.400 CB 0.909 ? Z: 15 14.669 1.819 0.795 0.571 1.000 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 12 4.299 1.592 0.475 0.451 0.636 0.545 CA 0.912 12 residues pruned to eliminate duplicates Z: 25 11.179 1.634 0.857 0.335 0.750 0.333 CB 1.200 18 residues pruned to eliminate duplicates Z: 20 17.799 1.897 0.476 0.630 0.947 0.684 CB 1.361 20 residues pruned to eliminate duplicates Z: 18 14.068 1.968 0.512 0.523 0.941 0.588 CB 1.192 18 residues pruned to eliminate duplicates Z: 9 10.734 1.756 0.244 0.785 1.000 0.750 CB 1.351 8 residues pruned to eliminate duplicates Z: 10 4.838 1.664 0.443 0.346 0.667 0.556 CB 1.190 Z: 20 25.656 2.036 0.469 0.900 1.000 0.579 CB 1.405 20 residues pruned to eliminate duplicates Z: 14 8.527 1.903 0.484 0.314 0.769 0.538 CB 1.339 14 residues pruned to eliminate duplicates Z: 11 2.091 1.471 0.131 0.237 0.900 0.400 CB 0.599 Z: 10 4.820 1.722 0.182 0.292 0.778 0.444 CA 1.281 10 residues pruned to eliminate duplicates Z: 22 35.746 2.210 0.751 0.874 0.952 0.857 CB 1.542 23 residues pruned to eliminate duplicates Z: 59 32.232 1.946 0.675 0.524 0.914 0.603 CA 1.388 59 residues pruned to eliminate duplicates Z: 17 12.277 2.020 0.650 0.377 0.812 0.562 CB 1.292 17 residues pruned to eliminate duplicates Z: 20 28.622 2.003 0.869 0.908 0.895 0.579 CA 1.393 20 residues pruned to eliminate duplicates Z: 25 11.678 1.778 0.452 0.483 0.875 0.542 CA 1.073 25 residues pruned to eliminate duplicates Z: 28 11.804 1.754 0.230 0.417 1.000 0.630 CB 1.148 31 residues pruned to eliminate duplicates Z: 9 6.901 1.715 0.153 0.719 0.875 0.750 N 1.157 6 residues pruned to eliminate duplicates Z: 13 18.266 2.161 0.442 0.591 1.000 0.917 CA 1.550 13 residues pruned to eliminate duplicates Z: 8 4.748 1.326 0.508 0.417 0.857 0.571 CB 1.142 Z: 8 7.918 1.803 0.451 0.420 1.000 0.571 CA 1.243 8 residues pruned to eliminate duplicates Z: 26 9.349 1.610 0.521 0.394 0.840 0.600 CB 1.016 26 residues pruned to eliminate duplicates Z: 7 3.963 1.543 0.318 0.323 0.833 0.500 CB 1.160 7 residues pruned to eliminate duplicates Z: 9 4.470 1.706 0.374 0.476 0.875 0.750 CB 0.789 9 residues pruned to eliminate duplicates Z: 17 5.760 1.469 0.320 0.387 0.812 0.500 CB 1.031 15 residues pruned to eliminate duplicates Z: 14 10.138 1.700 0.493 0.560 0.923 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 6 5.804 1.575 0.091 0.674 1.000 0.600 CB 1.286 6 residues pruned to eliminate duplicates Z: 7 4.027 1.217 0.606 0.609 1.000 0.667 O 0.758 Z: 9 7.656 1.728 0.589 0.576 0.750 0.750 CA 1.221 9 residues pruned to eliminate duplicates Z: 7 2.340 1.671 0.180 0.486 0.667 0.500 CB 0.737 Z: 14 11.806 1.690 0.883 0.421 0.923 0.615 CA 1.210 14 residues pruned to eliminate duplicates Z: 13 9.869 1.623 0.498 0.580 0.917 0.750 CA 1.183 9 residues pruned to eliminate duplicates Z: 21 21.500 2.028 0.773 0.530 0.850 0.550 CA 1.528 22 residues pruned to eliminate duplicates Z: 6 4.326 1.768 0.052 0.429 1.000 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 20 20.043 1.936 0.774 0.533 0.895 0.684 CA 1.449 20 residues pruned to eliminate duplicates Z: 8 5.243 1.604 0.678 0.645 1.000 0.429 CB 0.643 6 residues pruned to eliminate duplicates Z: 6 3.100 1.509 0.597 0.295 0.600 0.400 CA 1.207 6 residues pruned to eliminate duplicates Z: 10 5.998 1.505 0.621 0.546 0.889 0.556 CB 0.882 Z: 8 7.797 1.759 0.490 0.634 1.000 0.714 CA 0.991 8 residues pruned to eliminate duplicates Z: 10 7.692 1.757 0.529 0.471 0.889 0.556 CB 1.107 10 residues pruned to eliminate duplicates Z: 7 3.728 1.532 0.444 0.497 0.833 0.333 CB 0.827 7 residues pruned to eliminate duplicates Z: 6 3.523 1.246 0.476 0.603 0.800 0.400 C 0.970 Z: 8 4.986 1.635 0.473 0.386 0.714 0.571 CA 1.237 8 residues pruned to eliminate duplicates Z: 14 7.271 1.542 0.812 0.350 0.769 0.462 CA 1.105 14 residues pruned to eliminate duplicates Z: 13 6.919 1.776 0.462 0.383 0.833 0.583 CB 1.046 13 residues pruned to eliminate duplicates Z: 33 17.756 1.858 0.560 0.431 0.969 0.625 CB 1.201 33 residues pruned to eliminate duplicates Z: 8 7.652 1.644 0.529 0.555 0.857 0.714 CA 1.272 7 residues pruned to eliminate duplicates Z: 15 14.506 2.036 0.813 0.354 0.786 0.500 CB 1.566 15 residues pruned to eliminate duplicates Z: 8 2.610 1.494 0.416 0.336 0.571 0.429 CB 0.976 Z: 9 3.298 1.671 0.093 0.397 0.750 0.500 CB 0.949 9 residues pruned to eliminate duplicates Z: 11 8.596 1.671 0.846 0.315 0.900 0.400 CA 1.202 11 residues pruned to eliminate duplicates Z: 14 9.559 1.767 0.517 0.330 0.923 0.615 CB 1.290 12 residues pruned to eliminate duplicates Z: 12 4.729 1.570 0.878 0.412 0.727 0.636 CB 0.729 12 residues pruned to eliminate duplicates Z: 24 11.674 1.845 0.619 0.366 0.783 0.478 CB 1.202 16 residues pruned to eliminate duplicates Z: 8 9.317 1.752 0.290 0.672 1.000 0.714 CB 1.330 8 residues pruned to eliminate duplicates Z: 35 26.148 1.998 0.586 0.608 0.912 0.588 CB 1.401 35 residues pruned to eliminate duplicates Z: 7 7.486 1.778 0.256 0.660 1.000 0.833 CB 1.179 7 residues pruned to eliminate duplicates Z: 9 12.618 1.660 0.580 0.841 1.000 0.750 CA 1.269 9 residues pruned to eliminate duplicates Z: 10 18.300 1.810 0.758 0.871 1.000 0.778 CB 1.398 10 residues pruned to eliminate duplicates Z: 20 30.033 2.033 0.824 0.931 0.947 0.684 CA 1.370 20 residues pruned to eliminate duplicates Z: 19 8.040 1.551 0.471 0.331 0.833 0.444 N 1.199 14 residues pruned to eliminate duplicates Z: 56 33.463 1.980 0.515 0.579 0.927 0.745 CA 1.503 56 residues pruned to eliminate duplicates Z: 11 11.950 1.764 0.780 0.567 0.800 0.700 CB 1.409 10 residues pruned to eliminate duplicates Z: 33 19.355 1.926 0.597 0.487 0.906 0.656 CB 1.243 33 residues pruned to eliminate duplicates 6 1.598 1.493 -0.259 0.594 0.800 0.800 CB 0.738 ? Z: 14 4.040 1.328 0.223 0.309 0.769 0.308 CB 1.109 Z: 16 13.379 1.869 0.486 0.398 1.000 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 12 8.085 1.819 0.442 0.485 0.909 0.273 CB 1.038 12 residues pruned to eliminate duplicates Z: 8 9.883 1.972 0.222 0.898 1.000 0.429 CB 1.108 8 residues pruned to eliminate duplicates Z: 12 5.860 1.645 0.121 0.368 0.909 0.545 N 1.215 Z: 6 4.591 1.694 0.430 0.330 0.800 0.600 CA 1.276 6 residues pruned to eliminate duplicates Z: 6 4.620 1.787 0.730 0.560 0.800 0.400 CB 0.787 Z: 11 9.387 1.711 0.464 0.855 1.000 0.900 CB 0.874 11 residues pruned to eliminate duplicates Z: 7 6.946 1.628 0.476 0.552 1.000 0.667 CA 1.122 7 residues pruned to eliminate duplicates Z: 9 4.866 1.567 0.540 0.365 0.750 0.500 CB 1.099 9 residues pruned to eliminate duplicates Z: 32 18.835 1.999 0.571 0.355 0.903 0.581 CB 1.395 28 residues pruned to eliminate duplicates Z: 12 5.208 1.719 0.375 0.407 0.727 0.545 CB 1.007 12 residues pruned to eliminate duplicates Z: 7 3.596 1.502 0.540 0.244 0.667 0.500 CA 1.280 Z: 6 3.051 1.534 0.202 0.280 0.800 0.400 CB 1.186 4 residues pruned to eliminate duplicates Z: 30 23.981 2.026 0.772 0.450 0.862 0.586 CA 1.514 30 residues pruned to eliminate duplicates Z: 6 4.712 1.726 0.435 0.578 0.800 0.800 CA 0.987 Z: 25 10.847 1.771 0.193 0.434 0.917 0.542 CB 1.223 25 residues pruned to eliminate duplicates Z: 7 6.070 1.796 0.574 0.362 0.833 0.333 CB 1.220 6 1.438 1.551 0.086 0.312 0.400 0.400 CB 1.176 ? Z: 11 6.355 1.705 0.351 0.509 0.800 0.600 CB 1.080 11 residues pruned to eliminate duplicates Z: 17 18.439 1.844 0.766 0.670 1.000 0.750 CB 1.210 17 residues pruned to eliminate duplicates Z: 9 4.656 2.029 0.636 0.305 0.750 0.375 CB 0.822 9 residues pruned to eliminate duplicates Z: 27 11.896 1.870 0.740 0.282 0.731 0.462 CB 1.256 27 residues pruned to eliminate duplicates Z: 34 20.132 1.909 0.569 0.509 0.939 0.636 CB 1.234 34 residues pruned to eliminate duplicates Z: 30 29.416 2.011 0.734 0.630 0.897 0.862 CB 1.547 30 residues pruned to eliminate duplicates Z: 11 9.368 1.816 0.707 0.378 0.900 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 15 11.074 1.858 0.697 0.513 0.857 0.571 CB 1.081 15 residues pruned to eliminate duplicates Z: 8 8.935 1.730 0.690 0.559 0.857 0.714 CA 1.273 8 residues pruned to eliminate duplicates Z: 19 36.453 2.106 0.881 0.934 1.000 0.667 CB 1.512 19 residues pruned to eliminate duplicates Z: 8 9.337 1.622 0.692 0.914 1.000 1.000 CA 0.909 10 residues pruned to eliminate duplicates Z: 9 11.980 1.634 0.677 0.829 0.875 0.625 CA 1.329 9 residues pruned to eliminate duplicates Z: 15 10.203 1.688 0.593 0.475 0.857 0.786 CB 1.213 15 residues pruned to eliminate duplicates Z: 9 7.936 2.021 0.232 0.335 1.000 0.625 CB 1.350 9 residues pruned to eliminate duplicates Z: 10 10.860 1.655 0.386 0.909 1.000 0.889 CB 1.121 10 residues pruned to eliminate duplicates Z: 13 8.520 1.530 0.792 0.457 0.833 0.583 CA 1.124 13 residues pruned to eliminate duplicates Z: 20 22.292 2.058 0.774 0.592 0.895 0.842 CB 1.434 20 residues pruned to eliminate duplicates Z: 20 17.191 1.838 0.706 0.538 0.895 0.789 CA 1.355 28 residues pruned to eliminate duplicates Z: 7 2.588 1.390 0.362 0.504 0.667 0.667 CB 0.834 Z: 31 30.913 2.018 0.587 0.783 1.000 0.867 CA 1.374 31 residues pruned to eliminate duplicates Z: 9 6.785 1.278 0.800 0.583 1.000 0.875 CB 0.963 Z: 6 5.765 1.813 0.426 0.648 0.800 0.800 CB 1.086 Z: 45 32.022 2.093 0.794 0.425 0.886 0.659 CA 1.568 45 residues pruned to eliminate duplicates Z: 18 14.434 1.866 0.672 0.515 1.000 0.706 CB 1.105 20 residues pruned to eliminate duplicates Z: 11 8.431 1.682 0.571 0.418 0.900 0.500 CA 1.221 11 residues pruned to eliminate duplicates Z: 8 8.386 1.842 0.633 0.286 0.857 0.429 CA 1.565 8 residues pruned to eliminate duplicates Z: 6 2.731 1.523 0.372 0.299 0.600 0.400 CA 1.219 Z: 7 5.684 1.715 0.294 0.691 0.833 0.500 CA 1.053 7 residues pruned to eliminate duplicates Z: 14 6.569 1.799 0.497 0.322 0.692 0.385 CB 1.189 8 residues pruned to eliminate duplicates Z: 6 4.005 1.547 0.737 0.654 0.800 0.600 CB 0.721 Z: 14 13.192 1.612 0.835 0.552 1.000 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 43 16.947 1.943 0.444 0.369 0.810 0.595 CB 1.325 43 residues pruned to eliminate duplicates 8 1.786 1.532 -0.147 0.439 0.857 0.571 CB 0.642 ? Z: 19 17.837 1.958 0.615 0.576 0.889 0.722 CB 1.390 18 residues pruned to eliminate duplicates 6 0.646 1.197 0.287 0.319 0.600 0.400 CB 0.382 ? Z: 7 2.367 1.427 0.135 0.525 0.667 0.667 N 0.873 5 residues pruned to eliminate duplicates Z: 6 2.344 1.221 0.125 0.356 1.000 0.400 CB 0.891 Z: 17 7.963 1.688 0.553 0.357 0.812 0.500 CB 1.091 17 residues pruned to eliminate duplicates Z: 15 11.389 1.761 0.447 0.517 0.929 0.714 CB 1.265 14 residues pruned to eliminate duplicates Z: 24 11.995 1.802 0.632 0.337 0.870 0.522 CA 1.168 24 residues pruned to eliminate duplicates Z: 31 15.606 1.880 0.632 0.431 0.867 0.600 CB 1.151 31 residues pruned to eliminate duplicates Z: 17 16.976 2.062 0.312 0.610 1.000 0.750 CB 1.413 28 residues pruned to eliminate duplicates Z: 20 23.706 2.045 0.535 0.702 1.000 0.895 CA 1.441 20 residues pruned to eliminate duplicates Z: 20 12.438 1.751 0.681 0.459 0.895 0.737 CB 1.131 20 residues pruned to eliminate duplicates Z: 14 16.357 2.018 1.200 0.429 0.846 0.538 CB 1.300 14 residues pruned to eliminate duplicates Z: 8 7.671 1.607 0.857 0.417 1.000 0.571 CB 1.059 8 residues pruned to eliminate duplicates Z: 13 16.883 1.856 0.708 0.848 0.917 0.583 CA 1.244 13 residues pruned to eliminate duplicates Z: 8 13.133 1.697 0.695 0.752 1.000 1.000 CB 1.378 11 residues pruned to eliminate duplicates Z: 7 7.603 1.722 1.105 0.493 0.833 0.667 CB 1.034 Z: 24 13.703 1.776 0.633 0.435 0.826 0.522 CB 1.275 24 residues pruned to eliminate duplicates Z: 7 5.633 1.452 0.448 0.653 1.000 0.500 CA 0.949 7 residues pruned to eliminate duplicates Z: 11 11.891 1.901 0.515 0.763 0.800 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 12 8.610 1.986 0.462 0.372 0.818 0.636 CB 1.253 12 residues pruned to eliminate duplicates Z: 7 8.818 2.033 0.704 0.330 0.833 0.667 CA 1.502 7 residues pruned to eliminate duplicates Z: 6 3.719 1.304 0.742 0.493 0.800 0.600 CB 0.921 Z: 6 2.140 1.527 0.198 0.498 0.600 0.600 CB 0.874 Z: 6 5.555 1.809 0.112 0.677 0.800 0.800 CB 1.311 5 residues pruned to eliminate duplicates Z: 23 12.795 1.881 0.335 0.508 0.864 0.591 CB 1.248 23 residues pruned to eliminate duplicates Z: 10 7.331 1.452 0.498 0.388 1.000 0.444 CB 1.265 Z: 27 19.897 1.983 0.463 0.446 0.962 0.654 CB 1.478 27 residues pruned to eliminate duplicates Z: 13 10.253 1.556 0.986 0.463 0.917 0.583 CB 1.085 Z: 20 41.870 2.231 1.006 0.945 1.000 0.789 CB 1.485 20 residues pruned to eliminate duplicates Z: 13 11.172 1.885 0.405 0.447 0.917 0.500 CA 1.402 13 residues pruned to eliminate duplicates Z: 6 3.801 1.841 0.131 0.325 1.000 0.400 CB 0.989 6 residues pruned to eliminate duplicates Z: 17 9.387 1.672 0.587 0.437 0.875 0.562 CA 1.079 23 residues pruned to eliminate duplicates Z: 16 14.155 1.767 0.643 0.563 0.933 0.667 CA 1.269 16 residues pruned to eliminate duplicates Z: 7 4.366 1.705 0.501 0.212 0.667 0.500 CB 1.467 7 residues pruned to eliminate duplicates Z: 17 11.155 1.914 0.211 0.541 0.938 0.625 CB 1.232 17 residues pruned to eliminate duplicates Z: 60 34.717 1.990 0.696 0.543 0.915 0.593 CA 1.402 60 residues pruned to eliminate duplicates Z: 12 18.024 1.915 0.810 0.889 0.909 0.727 CA 1.241 12 residues pruned to eliminate duplicates Z: 18 10.490 1.796 0.622 0.410 0.824 0.529 CB 1.166 18 residues pruned to eliminate duplicates Z: 6 4.089 1.306 0.425 0.643 1.000 0.600 C 0.860 Z: 9 10.439 1.646 0.499 0.737 1.000 0.750 CB 1.209 9 residues pruned to eliminate duplicates Z: 7 6.074 1.755 0.320 0.611 0.833 0.500 CA 1.157 7 residues pruned to eliminate duplicates Z: 21 39.881 2.212 0.877 0.919 1.000 0.900 CB 1.513 21 residues pruned to eliminate duplicates Z: 11 6.189 1.459 0.411 0.397 1.000 0.500 N 1.060 10 residues pruned to eliminate duplicates Z: 16 11.920 1.844 0.540 0.346 1.000 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 8 4.673 1.897 0.294 0.285 0.857 0.714 CA 1.069 8 residues pruned to eliminate duplicates Z: 41 26.907 1.959 0.660 0.552 0.925 0.775 CB 1.345 60 residues pruned to eliminate duplicates Z: 9 3.000 1.416 0.242 0.403 0.875 0.500 CB 0.763 Z: 6 2.920 1.583 -0.071 0.388 0.800 0.400 C 1.251 7 residues pruned to eliminate duplicates Z: 9 2.763 1.632 0.462 0.339 0.625 0.375 CB 0.780 9 residues pruned to eliminate duplicates Z: 11 2.522 1.512 0.417 0.111 0.600 0.300 CB 1.015 11 residues pruned to eliminate duplicates Z: 8 7.820 1.833 0.421 0.348 0.857 0.714 CB 1.562 8 residues pruned to eliminate duplicates 6 1.771 1.084 0.321 0.657 0.800 0.800 CB 0.598 ? Z: 8 6.915 1.624 0.367 0.541 1.000 0.429 CB 1.131 Z: 7 2.192 1.377 0.048 0.489 0.833 0.833 CB 0.753 5 residues pruned to eliminate duplicates Z: 7 3.236 1.598 0.477 0.404 0.833 0.333 CB 0.743 Z: 11 7.627 1.527 0.333 0.511 1.000 0.500 CB 1.171 10 residues pruned to eliminate duplicates Z: 12 6.779 1.749 0.433 0.429 0.818 0.636 CB 1.073 12 residues pruned to eliminate duplicates Z: 15 10.736 1.808 0.707 0.352 0.857 0.571 CA 1.274 15 residues pruned to eliminate duplicates Z: 18 26.118 2.051 0.565 0.893 1.000 0.824 CB 1.416 24 residues pruned to eliminate duplicates Z: 12 4.080 1.618 0.377 0.199 0.909 0.273 CB 0.869 12 residues pruned to eliminate duplicates Z: 8 2.039 1.218 0.555 0.342 0.714 0.429 N 0.677 Z: 11 7.621 1.817 0.730 0.514 0.800 0.700 CB 0.945 10 residues pruned to eliminate duplicates Z: 32 23.868 1.963 0.912 0.362 0.935 0.581 CA 1.416 32 residues pruned to eliminate duplicates Z: 10 4.801 1.737 0.512 0.451 1.000 0.333 CB 0.641 10 residues pruned to eliminate duplicates Z: 41 38.206 2.066 0.711 0.751 0.950 0.800 CB 1.438 41 residues pruned to eliminate duplicates Z: 7 2.811 1.432 0.194 0.249 0.833 0.667 N 1.075 Z: 11 10.696 1.828 0.564 0.642 0.800 0.600 CA 1.294 11 residues pruned to eliminate duplicates Z: 7 4.092 1.584 0.384 0.451 0.833 0.667 O 0.961 Z: 14 14.231 1.881 0.527 0.478 0.923 0.615 CB 1.522 14 residues pruned to eliminate duplicates Z: 9 5.653 1.390 0.053 0.747 1.000 0.625 N 1.095 Z: 7 4.377 1.479 0.334 0.373 0.833 0.667 N 1.245 Z: 7 3.185 1.402 0.532 0.326 1.000 0.333 CB 0.733 7 residues pruned to eliminate duplicates Z: 11 7.471 1.671 0.385 0.533 0.800 0.400 CA 1.235 11 residues pruned to eliminate duplicates Z: 21 12.327 1.807 0.468 0.443 0.950 0.600 CB 1.160 21 residues pruned to eliminate duplicates Z: 23 41.781 2.080 1.062 0.950 1.000 0.409 CB 1.432 23 residues pruned to eliminate duplicates Z: 12 7.611 1.789 0.353 0.552 0.818 0.636 CB 1.102 12 residues pruned to eliminate duplicates Z: 11 2.148 1.808 0.116 0.259 0.600 0.500 CB 0.739 11 residues pruned to eliminate duplicates Z: 14 3.612 1.464 0.511 0.483 0.692 0.462 CB 0.665 Z: 18 9.722 1.491 0.503 0.547 1.000 0.588 CA 1.005 21 residues pruned to eliminate duplicates Z: 9 3.512 1.484 0.831 0.232 0.750 0.500 CB 0.832 Z: 9 7.827 1.662 0.647 0.495 1.000 0.500 CA 1.016 7 residues pruned to eliminate duplicates Z: 6 2.070 1.318 0.179 0.458 0.800 0.600 CB 0.778 Z: 22 13.865 1.917 0.705 0.533 0.810 0.619 CB 1.107 22 residues pruned to eliminate duplicates Z: 8 10.537 1.776 0.597 0.872 1.000 0.571 CA 1.023 8 residues pruned to eliminate duplicates Z: 29 21.040 1.967 0.658 0.546 0.929 0.679 CB 1.255 29 residues pruned to eliminate duplicates Z: 7 10.178 1.885 0.497 0.813 0.833 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 10 11.806 1.780 0.338 0.607 1.000 0.667 CA 1.493 10 residues pruned to eliminate duplicates Z: 6 2.544 1.288 0.281 0.428 0.800 0.400 CB 0.929 Z: 15 10.054 1.684 0.467 0.512 0.929 0.714 CA 1.158 15 residues pruned to eliminate duplicates Z: 8 3.871 1.366 0.485 0.514 1.000 0.714 CB 0.711 Z: 10 4.914 1.709 0.272 0.278 0.889 0.556 CB 1.089 10 residues pruned to eliminate duplicates Z: 6 4.421 1.536 0.913 0.496 1.000 0.800 N 0.675 Z: 6 4.155 1.460 0.711 0.403 0.800 0.600 C 1.030 Z: 11 7.479 1.670 0.553 0.539 0.800 0.600 CB 1.097 10 residues pruned to eliminate duplicates Z: 21 33.675 2.060 0.818 0.940 1.000 0.750 CB 1.396 21 residues pruned to eliminate duplicates Z: 50 26.016 2.004 0.573 0.410 0.878 0.531 CA 1.476 50 residues pruned to eliminate duplicates Z: 8 6.484 1.633 0.389 0.488 1.000 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 7 4.678 1.735 0.195 0.330 1.000 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 6 2.475 1.362 0.643 0.391 0.800 0.400 CA 0.694 6 residues pruned to eliminate duplicates Z: 6 2.679 1.506 0.576 0.362 0.800 0.400 CA 0.733 6 residues pruned to eliminate duplicates Z: 22 9.737 1.721 0.284 0.396 0.952 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 6 2.400 1.451 0.062 0.329 0.800 0.600 CA 1.051 Z: 17 32.667 2.142 1.003 0.865 0.938 0.375 CB 1.488 17 residues pruned to eliminate duplicates Z: 20 10.961 1.826 0.196 0.440 0.895 0.579 CA 1.368 20 residues pruned to eliminate duplicates Z: 8 8.461 1.750 0.993 0.658 0.857 0.714 CA 0.924 5 residues pruned to eliminate duplicates Z: 8 4.624 1.468 0.368 0.464 1.000 0.857 CB 0.902 8 residues pruned to eliminate duplicates Z: 7 2.451 1.359 0.272 0.419 0.667 0.333 CA 0.945 7 residues pruned to eliminate duplicates 6 1.265 1.512 0.920 0.438 0.600 0.400 CB 0.346 ? Z: 7 3.295 1.588 0.068 0.426 0.833 0.667 C 1.027 Z: 9 5.029 1.575 0.776 0.372 0.875 0.625 CB 0.833 9 residues pruned to eliminate duplicates Z: 7 5.909 1.841 0.550 0.522 0.833 0.833 CB 0.993 7 residues pruned to eliminate duplicates Z: 15 6.708 1.674 0.466 0.557 0.786 0.500 CB 0.879 Z: 10 7.980 1.988 0.291 0.264 1.000 0.778 CA 1.357 10 residues pruned to eliminate duplicates Z: 19 12.783 1.831 0.563 0.526 0.778 0.556 CB 1.320 19 residues pruned to eliminate duplicates 7 1.818 1.533 -0.269 0.501 1.000 0.333 CB 0.662 ? Z: 27 37.909 2.139 0.865 0.686 0.962 0.731 CB 1.634 27 residues pruned to eliminate duplicates Z: 11 11.412 1.556 0.811 0.917 1.000 1.000 CB 0.904 9 residues pruned to eliminate duplicates Z: 12 2.424 1.333 0.306 0.386 0.636 0.364 CB 0.745 Z: 20 47.953 2.233 1.179 0.957 1.000 0.947 CB 1.552 20 residues pruned to eliminate duplicates Z: 25 19.820 2.038 0.591 0.521 0.875 0.625 CB 1.396 25 residues pruned to eliminate duplicates Z: 10 5.842 1.481 0.698 0.447 0.778 0.556 N 1.050 Z: 15 9.585 1.608 0.517 0.477 0.857 0.643 CA 1.254 15 residues pruned to eliminate duplicates Z: 13 13.508 1.988 0.506 0.626 1.000 0.750 CA 1.158 13 residues pruned to eliminate duplicates Z: 38 18.706 1.841 0.394 0.451 0.919 0.541 CB 1.371 38 residues pruned to eliminate duplicates 7 1.756 1.372 -0.107 0.376 0.833 0.500 O 0.802 ? Z: 15 6.496 1.557 0.545 0.343 0.714 0.500 CA 1.199 15 residues pruned to eliminate duplicates Z: 6 3.864 1.228 0.618 0.716 1.000 0.800 CB 0.716 Z: 15 7.434 1.519 0.556 0.348 0.857 0.643 CA 1.157 15 residues pruned to eliminate duplicates Z: 10 7.085 1.684 0.446 0.567 1.000 0.667 CA 0.909 16 residues pruned to eliminate duplicates Z: 10 5.183 1.706 0.625 0.399 0.667 0.556 CB 1.040 10 residues pruned to eliminate duplicates Z: 20 30.521 1.977 0.866 0.924 1.000 0.842 CA 1.333 20 residues pruned to eliminate duplicates Z: 7 4.004 1.297 0.238 0.703 1.000 0.833 CB 0.846 Z: 6 4.411 1.691 0.171 0.472 1.000 0.800 N 1.025 Z: 8 3.229 1.514 0.517 0.253 0.714 0.429 CB 0.988 Z: 15 12.076 1.946 0.703 0.412 0.857 0.500 CB 1.246 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 7.627 2.140 0.716 0.235 0.833 0.250 CB 0.979 13 residues pruned to eliminate duplicates Z: 11 15.902 2.209 0.825 0.284 1.000 0.300 CB 1.591 11 residues pruned to eliminate duplicates Z: 11 14.180 2.249 0.900 0.310 1.000 0.400 CB 1.295 11 residues pruned to eliminate duplicates Z: 10 15.872 2.233 0.919 0.372 1.000 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 28 22.380 2.096 0.639 0.482 0.926 0.630 CB 1.379 28 residues pruned to eliminate duplicates Z: 29 23.135 2.117 0.946 0.442 0.857 0.464 CB 1.315 29 residues pruned to eliminate duplicates Z: 25 17.404 2.049 0.957 0.335 0.917 0.500 CB 1.158 25 residues pruned to eliminate duplicates Z: 30 20.211 1.959 0.655 0.484 0.931 0.414 CB 1.264 30 residues pruned to eliminate duplicates Z: 10 14.270 2.342 0.784 0.311 0.889 0.444 CB 1.579 10 residues pruned to eliminate duplicates Z: 16 23.159 2.028 0.769 0.708 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 16 20.732 2.044 0.935 0.642 0.933 0.667 CB 1.270 16 residues pruned to eliminate duplicates Z: 14 11.441 1.928 0.706 0.457 0.923 0.615 CB 1.091 14 residues pruned to eliminate duplicates Z: 14 10.694 1.962 1.073 0.320 0.846 0.462 CB 1.051 14 residues pruned to eliminate duplicates Z: 18 18.971 2.053 0.799 0.532 0.941 0.588 CB 1.282 18 residues pruned to eliminate duplicates Z: 18 23.285 2.067 0.914 0.609 1.000 0.647 CB 1.287 18 residues pruned to eliminate duplicates Z: 15 19.157 1.947 0.834 0.595 0.857 0.643 CB 1.529 15 residues pruned to eliminate duplicates Z: 17 25.133 2.116 0.772 0.702 1.000 0.750 CB 1.394 17 residues pruned to eliminate duplicates Z: 17 25.851 2.127 0.822 0.708 1.000 0.750 CB 1.381 17 residues pruned to eliminate duplicates Z: 17 23.693 2.095 0.963 0.626 0.938 0.562 CB 1.365 17 residues pruned to eliminate duplicates Z: 14 14.834 1.891 0.833 0.550 0.846 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 15 21.706 2.111 0.689 0.622 1.000 0.500 CB 1.449 15 residues pruned to eliminate duplicates Z: 16 23.958 2.109 0.839 0.642 1.000 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 18 21.228 2.012 0.959 0.577 0.941 0.471 CB 1.288 18 residues pruned to eliminate duplicates Z: 17 20.520 2.105 0.815 0.587 0.938 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 13 12.243 1.803 0.516 0.628 0.917 0.667 CA 1.251 13 residues pruned to eliminate duplicates Z: 15 11.045 1.771 0.540 0.577 0.929 0.643 CA 1.082 15 residues pruned to eliminate duplicates Z: 13 9.777 1.659 0.691 0.604 0.917 0.833 CA 0.994 11 residues pruned to eliminate duplicates Z: 6 5.490 1.434 0.558 0.492 1.000 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 13 9.756 1.687 0.449 0.564 1.000 0.917 CA 1.083 13 residues pruned to eliminate duplicates Z: 13 12.039 1.810 0.493 0.671 0.917 0.667 CA 1.199 15 residues pruned to eliminate duplicates Z: 6 8.306 1.684 0.497 0.575 1.000 0.400 N 1.370 8 residues pruned to eliminate duplicates Z: 19 10.948 1.715 0.386 0.517 1.000 0.500 CB 1.067 29 residues pruned to eliminate duplicates Z: 19 11.092 1.723 0.355 0.471 0.944 0.556 CB 1.222 19 residues pruned to eliminate duplicates Z: 18 10.761 1.696 0.370 0.519 0.941 0.765 CB 1.171 18 residues pruned to eliminate duplicates Z: 18 10.543 1.675 0.453 0.455 0.941 0.412 CB 1.169 18 residues pruned to eliminate duplicates Z: 14 7.295 1.641 0.349 0.391 0.923 0.538 CB 1.111 14 residues pruned to eliminate duplicates Z: 18 5.470 1.515 0.307 0.429 0.824 0.471 CB 0.876 18 residues pruned to eliminate duplicates Z: 18 11.519 1.757 0.316 0.493 1.000 0.706 CB 1.217 18 residues pruned to eliminate duplicates Z: 17 10.224 1.775 0.486 0.452 0.875 0.438 CB 1.163 17 residues pruned to eliminate duplicates Z: 17 12.129 1.769 0.656 0.479 0.938 0.562 CB 1.128 17 residues pruned to eliminate duplicates Z: 17 11.961 1.802 0.393 0.424 1.000 0.625 CB 1.290 17 residues pruned to eliminate duplicates Z: 13 8.675 1.714 0.477 0.424 0.917 0.500 CB 1.168 13 residues pruned to eliminate duplicates Z: 19 11.477 1.748 0.596 0.457 0.944 0.444 CB 1.073 19 residues pruned to eliminate duplicates Z: 12 9.362 1.794 0.482 0.483 0.818 0.636 CB 1.320 12 residues pruned to eliminate duplicates Z: 13 8.989 1.712 0.357 0.411 0.917 0.583 CB 1.338 13 residues pruned to eliminate duplicates Z: 11 7.195 1.731 0.260 0.525 0.800 0.700 CB 1.273 11 residues pruned to eliminate duplicates Z: 11 9.056 1.781 0.402 0.502 0.900 0.800 CB 1.271 11 residues pruned to eliminate duplicates Z: 7 7.329 1.745 0.414 0.622 0.833 0.833 CB 1.297 7 residues pruned to eliminate duplicates Z: 6 5.192 1.606 0.635 0.414 1.000 0.800 CA 0.968 6 residues pruned to eliminate duplicates Z: 30 12.595 1.920 0.612 0.278 0.828 0.414 CB 1.174 16 residues pruned to eliminate duplicates Z: 9 4.899 1.432 0.788 0.432 0.750 0.625 CB 0.969 9 residues pruned to eliminate duplicates Z: 18 14.051 1.973 0.534 0.424 0.882 0.471 CB 1.381 18 residues pruned to eliminate duplicates Z: 22 13.451 1.952 0.670 0.321 0.905 0.524 CB 1.212 22 residues pruned to eliminate duplicates Z: 18 11.341 1.901 0.670 0.317 0.824 0.412 CB 1.288 18 residues pruned to eliminate duplicates Z: 18 12.925 1.877 0.616 0.430 0.882 0.471 CB 1.259 18 residues pruned to eliminate duplicates Z: 14 10.670 1.856 0.388 0.429 0.923 0.615 CB 1.339 14 residues pruned to eliminate duplicates Z: 14 16.351 1.905 0.521 0.552 1.000 0.615 CB 1.488 13 residues pruned to eliminate duplicates Z: 7 5.202 1.754 0.472 0.241 0.833 0.500 CA 1.332 7 residues pruned to eliminate duplicates Z: 21 15.184 1.916 0.451 0.480 0.950 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 13 14.270 1.923 0.416 0.480 1.000 0.583 CB 1.543 13 residues pruned to eliminate duplicates Z: 14 11.013 1.894 0.403 0.429 0.923 0.615 CB 1.340 14 residues pruned to eliminate duplicates Z: 21 16.200 1.919 0.466 0.510 0.950 0.650 CB 1.342 21 residues pruned to eliminate duplicates Z: 20 9.414 1.727 0.753 0.321 0.789 0.421 CB 1.101 20 residues pruned to eliminate duplicates Z: 13 15.299 1.877 0.604 0.545 0.917 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 22 13.132 1.850 0.479 0.462 0.905 0.714 CB 1.203 22 residues pruned to eliminate duplicates Z: 21 15.349 1.899 0.466 0.490 0.950 0.650 CB 1.311 21 residues pruned to eliminate duplicates Z: 21 14.870 1.922 0.458 0.488 0.900 0.750 CB 1.334 21 residues pruned to eliminate duplicates Z: 23 13.942 1.769 0.389 0.458 0.955 0.591 CB 1.323 23 residues pruned to eliminate duplicates Z: 12 7.900 1.770 0.281 0.595 0.909 0.455 CB 1.055 12 residues pruned to eliminate duplicates Z: 7 9.711 1.906 0.488 0.804 1.000 1.000 CA 1.072 7 residues pruned to eliminate duplicates Z: 9 8.009 1.776 0.376 0.644 1.000 0.750 CB 1.013 9 residues pruned to eliminate duplicates Z: 7 10.721 1.958 0.521 0.807 1.000 0.833 CA 1.124 7 residues pruned to eliminate duplicates Z: 9 8.329 1.764 0.359 0.763 1.000 0.750 CB 0.973 9 residues pruned to eliminate duplicates Z: 53 45.130 2.090 0.906 0.670 0.942 0.750 CB 1.425 55 residues pruned to eliminate duplicates Z: 14 15.803 1.799 0.601 0.760 1.000 0.692 CB 1.207 14 residues pruned to eliminate duplicates Z: 53 42.392 2.041 0.773 0.682 0.962 0.673 CB 1.431 53 residues pruned to eliminate duplicates Z: 19 17.334 1.838 0.973 0.563 1.000 0.556 CB 1.060 19 residues pruned to eliminate duplicates Z: 51 34.441 2.020 0.812 0.559 0.920 0.420 CB 1.366 51 residues pruned to eliminate duplicates Z: 52 39.820 2.064 0.956 0.616 0.902 0.490 CB 1.373 52 residues pruned to eliminate duplicates Z: 16 17.735 1.894 0.809 0.555 1.000 0.600 CB 1.266 16 residues pruned to eliminate duplicates Z: 17 11.856 1.796 0.589 0.416 0.938 0.562 CA 1.209 16 residues pruned to eliminate duplicates Z: 8 7.116 1.711 0.191 0.714 1.000 0.714 CA 1.087 8 residues pruned to eliminate duplicates Z: 8 5.613 1.768 0.263 0.457 0.857 0.571 CA 1.159 8 residues pruned to eliminate duplicates Z: 11 7.666 1.682 0.235 0.479 1.000 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 14 8.337 1.610 0.307 0.439 1.000 0.692 CA 1.170 14 residues pruned to eliminate duplicates Z: 7 10.306 1.876 0.411 0.680 1.000 0.500 CA 1.346 7 residues pruned to eliminate duplicates Z: 6 2.694 1.400 0.723 0.293 0.800 0.400 CB 0.788 Z: 8 5.706 1.417 0.952 0.303 0.857 0.286 C 1.133 8 residues pruned to eliminate duplicates Z: 12 14.747 1.813 0.752 0.558 1.000 0.727 CB 1.322 12 residues pruned to eliminate duplicates Z: 14 15.024 1.876 0.723 0.565 0.923 0.692 CB 1.311 20 residues pruned to eliminate duplicates Z: 13 17.015 1.855 0.883 0.613 1.000 0.750 CB 1.264 11 residues pruned to eliminate duplicates Z: 6 7.064 1.925 0.496 0.413 1.000 0.400 CA 1.202 6 residues pruned to eliminate duplicates Z: 29 9.826 1.806 0.343 0.280 0.893 0.429 CB 1.099 29 residues pruned to eliminate duplicates Z: 25 12.259 1.845 0.328 0.417 0.958 0.625 CB 1.162 25 residues pruned to eliminate duplicates Z: 26 12.615 1.796 0.413 0.414 0.920 0.560 CA 1.182 27 residues pruned to eliminate duplicates Z: 6 8.120 1.951 0.136 0.572 1.000 0.600 CA 1.529 6 residues pruned to eliminate duplicates Z: 22 10.824 1.746 0.491 0.299 0.857 0.476 CA 1.326 22 residues pruned to eliminate duplicates Z: 18 10.812 1.814 0.469 0.308 0.941 0.529 CA 1.294 18 residues pruned to eliminate duplicates Z: 21 12.550 1.704 0.466 0.365 1.000 0.550 CA 1.299 21 residues pruned to eliminate duplicates Z: 6 11.141 1.915 1.156 0.597 0.800 0.600 CB 1.375 6 residues pruned to eliminate duplicates Z: 7 7.007 1.695 0.769 0.715 0.667 0.500 CB 1.179 7 residues pruned to eliminate duplicates Z: 16 18.230 2.144 0.799 0.450 0.933 0.533 CB 1.375 15 residues pruned to eliminate duplicates Z: 6 3.556 1.665 0.795 0.163 0.800 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 34 21.728 2.079 0.587 0.483 0.879 0.515 CB 1.328 43 residues pruned to eliminate duplicates Z: 6 4.265 1.844 1.126 0.241 0.800 0.400 CA 0.821 6 residues pruned to eliminate duplicates Z: 35 24.052 2.073 0.746 0.386 0.941 0.412 CB 1.366 35 residues pruned to eliminate duplicates Z: 33 23.563 2.123 0.625 0.423 0.906 0.688 CB 1.444 33 residues pruned to eliminate duplicates Z: 32 25.875 2.158 0.681 0.466 0.871 0.613 CB 1.522 32 residues pruned to eliminate duplicates Z: 33 29.668 2.147 0.822 0.479 0.938 0.562 CB 1.461 38 residues pruned to eliminate duplicates Z: 7 7.874 1.546 1.498 0.511 1.000 0.667 CA 0.823 7 residues pruned to eliminate duplicates Z: 32 27.724 2.148 0.864 0.476 0.935 0.742 CB 1.363 32 residues pruned to eliminate duplicates Z: 27 21.388 1.989 0.766 0.446 0.885 0.538 CB 1.427 27 residues pruned to eliminate duplicates Z: 38 25.381 2.054 0.845 0.438 0.892 0.432 CB 1.315 38 residues pruned to eliminate duplicates Z: 31 27.280 2.187 0.771 0.453 0.900 0.567 CB 1.499 31 residues pruned to eliminate duplicates Z: 26 25.300 2.237 0.736 0.452 0.880 0.600 CB 1.555 26 residues pruned to eliminate duplicates Z: 12 18.769 1.997 0.801 0.616 0.909 0.727 CB 1.551 12 residues pruned to eliminate duplicates Z: 29 26.590 2.186 0.860 0.371 0.929 0.500 CB 1.529 29 residues pruned to eliminate duplicates Z: 14 19.441 2.035 0.825 0.602 0.923 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 21 24.561 2.186 0.809 0.519 0.900 0.600 CB 1.514 21 residues pruned to eliminate duplicates Z: 29 28.784 2.165 0.962 0.412 0.929 0.500 CB 1.513 29 residues pruned to eliminate duplicates Z: 32 29.160 2.076 0.795 0.518 0.935 0.581 CB 1.476 32 residues pruned to eliminate duplicates Z: 11 17.918 2.091 1.139 0.614 0.900 0.400 CB 1.264 11 residues pruned to eliminate duplicates Z: 9 5.540 1.636 0.576 0.358 0.750 0.375 C 1.180 9 residues pruned to eliminate duplicates Z: 6 4.043 1.467 0.486 0.323 1.000 0.600 CA 1.007 6 residues pruned to eliminate duplicates Z: 6 7.782 1.539 1.036 0.531 1.000 0.400 CB 1.078 6 residues pruned to eliminate duplicates Z: 18 13.634 1.974 0.562 0.475 0.824 0.647 CB 1.335 18 residues pruned to eliminate duplicates Z: 22 15.122 1.888 0.643 0.403 0.952 0.571 CB 1.237 22 residues pruned to eliminate duplicates Z: 26 16.260 1.885 0.681 0.415 0.960 0.560 CB 1.168 26 residues pruned to eliminate duplicates Z: 21 12.109 1.660 0.684 0.336 0.900 0.550 CB 1.288 21 residues pruned to eliminate duplicates Z: 17 14.137 1.809 0.783 0.536 0.938 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 12 17.809 1.953 0.919 0.654 0.909 0.818 CB 1.366 12 residues pruned to eliminate duplicates Z: 24 12.575 1.816 0.581 0.387 0.826 0.565 CB 1.248 24 residues pruned to eliminate duplicates Z: 21 13.934 1.857 0.771 0.416 0.900 0.550 CB 1.149 21 residues pruned to eliminate duplicates Z: 26 13.047 1.836 0.683 0.412 0.880 0.560 CB 1.053 26 residues pruned to eliminate duplicates Z: 36 16.133 1.849 0.610 0.377 0.857 0.400 CB 1.219 36 residues pruned to eliminate duplicates Z: 40 16.899 1.817 0.646 0.327 0.949 0.564 CB 1.153 40 residues pruned to eliminate duplicates Z: 17 13.650 2.040 0.708 0.425 0.812 0.562 CB 1.304 17 residues pruned to eliminate duplicates Z: 19 13.627 1.960 0.641 0.413 0.833 0.611 CB 1.312 19 residues pruned to eliminate duplicates Z: 56 19.095 1.886 0.494 0.350 0.891 0.455 CB 1.206 56 residues pruned to eliminate duplicates Z: 7 2.964 1.909 0.450 0.121 0.667 0.167 CB 1.057 7 residues pruned to eliminate duplicates Z: 41 17.046 1.837 0.616 0.327 0.900 0.525 CB 1.219 41 residues pruned to eliminate duplicates Z: 49 20.593 1.941 0.567 0.387 0.854 0.583 CB 1.289 49 residues pruned to eliminate duplicates Z: 20 11.832 1.908 0.476 0.353 0.842 0.526 CB 1.342 20 residues pruned to eliminate duplicates Z: 22 13.445 1.794 0.835 0.325 0.857 0.524 CA 1.260 22 residues pruned to eliminate duplicates Z: 21 14.680 1.875 0.713 0.327 0.950 0.550 CB 1.302 21 residues pruned to eliminate duplicates Z: 23 10.389 1.799 0.569 0.316 0.864 0.500 CB 1.114 23 residues pruned to eliminate duplicates Z: 22 11.233 1.811 0.687 0.275 0.905 0.571 CB 1.145 22 residues pruned to eliminate duplicates Z: 18 8.366 1.709 0.536 0.349 0.824 0.529 CA 1.105 18 residues pruned to eliminate duplicates Z: 13 10.288 1.885 0.699 0.309 0.833 0.500 CA 1.375 13 residues pruned to eliminate duplicates Z: 22 13.534 1.946 0.622 0.367 0.857 0.476 CB 1.259 22 residues pruned to eliminate duplicates Z: 15 10.117 1.900 0.590 0.280 0.786 0.571 CB 1.460 15 residues pruned to eliminate duplicates Z: 16 8.239 1.835 0.359 0.312 0.800 0.467 CB 1.313 16 residues pruned to eliminate duplicates Z: 22 13.478 1.896 0.578 0.347 0.905 0.571 CB 1.282 22 residues pruned to eliminate duplicates Z: 12 9.135 1.936 0.498 0.321 0.909 0.636 CA 1.272 12 residues pruned to eliminate duplicates Z: 15 12.508 1.880 0.617 0.419 1.000 0.571 CA 1.197 15 residues pruned to eliminate duplicates Z: 14 8.442 1.808 0.511 0.265 0.923 0.462 CA 1.213 14 residues pruned to eliminate duplicates Z: 24 13.261 1.804 0.748 0.309 0.957 0.609 CB 1.133 24 residues pruned to eliminate duplicates Z: 9 12.053 1.761 0.810 0.552 1.000 0.875 CA 1.271 9 residues pruned to eliminate duplicates Z: 9 12.798 2.050 0.972 0.414 0.875 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 16 9.803 1.721 0.747 0.248 0.933 0.600 CB 1.206 14 residues pruned to eliminate duplicates Z: 11 8.118 1.748 0.820 0.260 0.800 0.500 CB 1.328 11 residues pruned to eliminate duplicates Z: 10 9.159 1.814 0.835 0.395 0.889 0.556 CA 1.153 10 residues pruned to eliminate duplicates Z: 22 18.241 1.978 0.794 0.495 0.905 0.429 CB 1.247 36 residues pruned to eliminate duplicates Z: 13 12.726 1.825 0.823 0.435 1.000 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 38 41.432 2.138 0.730 0.696 0.973 0.784 CB 1.583 38 residues pruned to eliminate duplicates Z: 19 14.428 1.868 0.505 0.450 0.833 0.444 CB 1.527 19 residues pruned to eliminate duplicates Z: 30 34.468 2.142 0.605 0.747 0.966 0.862 CB 1.546 30 residues pruned to eliminate duplicates Z: 33 33.125 2.068 0.631 0.688 0.938 0.812 CB 1.559 33 residues pruned to eliminate duplicates Z: 35 29.454 2.096 0.400 0.671 0.941 0.824 CB 1.563 35 residues pruned to eliminate duplicates Z: 31 36.277 2.155 0.503 0.756 0.967 0.900 CB 1.684 31 residues pruned to eliminate duplicates Z: 40 32.179 2.100 0.490 0.620 0.949 0.718 CB 1.550 40 residues pruned to eliminate duplicates Z: 32 34.569 2.110 0.651 0.702 0.935 0.710 CA 1.586 32 residues pruned to eliminate duplicates Z: 30 37.690 2.154 0.530 0.784 1.000 0.897 CA 1.653 30 residues pruned to eliminate duplicates Z: 38 34.259 2.141 0.502 0.674 0.946 0.784 CB 1.576 38 residues pruned to eliminate duplicates Z: 31 36.845 2.119 0.546 0.740 1.000 0.800 CB 1.655 31 residues pruned to eliminate duplicates Z: 22 32.813 2.218 0.531 0.887 1.000 0.905 CB 1.520 22 residues pruned to eliminate duplicates Z: 24 25.757 2.127 0.509 0.739 0.957 0.696 CB 1.412 24 residues pruned to eliminate duplicates Z: 28 31.155 2.066 0.652 0.695 0.926 0.741 CB 1.588 28 residues pruned to eliminate duplicates Z: 29 36.910 2.179 0.463 0.782 1.000 0.857 CA 1.707 29 residues pruned to eliminate duplicates Z: 26 33.429 2.135 0.695 0.794 0.920 0.760 CB 1.552 26 residues pruned to eliminate duplicates Z: 30 44.951 2.209 0.836 0.772 0.966 0.759 CB 1.676 30 residues pruned to eliminate duplicates Z: 28 35.732 2.111 0.876 0.664 0.963 0.704 CB 1.549 28 residues pruned to eliminate duplicates Z: 31 36.860 2.149 0.622 0.744 1.000 0.700 CB 1.552 31 residues pruned to eliminate duplicates Z: 32 41.011 2.143 0.828 0.706 0.935 0.742 CA 1.667 32 residues pruned to eliminate duplicates Z: 32 40.548 2.152 0.783 0.725 0.968 0.645 CB 1.601 32 residues pruned to eliminate duplicates Z: 30 42.912 2.165 0.708 0.785 1.000 0.759 CB 1.677 30 residues pruned to eliminate duplicates Z: 30 45.581 2.155 0.925 0.762 0.966 0.552 CB 1.673 30 residues pruned to eliminate duplicates Z: 32 43.317 2.131 0.857 0.719 0.968 0.677 CB 1.666 32 residues pruned to eliminate duplicates Z: 31 35.907 2.174 0.751 0.702 0.933 0.700 CB 1.536 31 residues pruned to eliminate duplicates Z: 32 41.697 2.127 0.829 0.711 1.000 0.742 CB 1.589 32 residues pruned to eliminate duplicates Z: 26 41.087 2.162 0.966 0.718 1.000 0.640 CB 1.587 26 residues pruned to eliminate duplicates Z: 30 45.157 2.186 0.773 0.775 1.000 0.759 CB 1.697 30 residues pruned to eliminate duplicates Z: 31 43.924 2.119 0.849 0.769 0.967 0.500 CB 1.669 31 residues pruned to eliminate duplicates Z: 28 12.785 1.970 0.712 0.324 0.704 0.481 CB 1.258 28 residues pruned to eliminate duplicates Z: 19 10.682 1.888 0.537 0.389 0.778 0.444 CB 1.254 19 residues pruned to eliminate duplicates Z: 9 7.840 1.852 0.634 0.375 0.750 0.500 CB 1.397 9 residues pruned to eliminate duplicates Z: 12 10.029 1.840 0.680 0.424 0.818 0.727 CA 1.294 12 residues pruned to eliminate duplicates Z: 18 12.372 1.958 0.733 0.351 0.706 0.294 CA 1.472 18 residues pruned to eliminate duplicates Z: 6 2.858 1.452 0.157 0.449 1.000 0.800 CB 0.802 6 residues pruned to eliminate duplicates Z: 13 12.157 1.795 0.782 0.695 0.833 0.333 CB 1.102 17 residues pruned to eliminate duplicates Z: 8 7.741 1.551 1.043 0.493 0.857 0.857 CA 1.084 8 residues pruned to eliminate duplicates Z: 29 24.906 2.051 0.865 0.414 0.893 0.607 CB 1.509 29 residues pruned to eliminate duplicates Z: 29 27.290 2.012 0.873 0.449 0.964 0.643 CA 1.497 29 residues pruned to eliminate duplicates Z: 25 19.393 1.914 0.834 0.349 0.958 0.500 CB 1.386 25 residues pruned to eliminate duplicates Z: 32 27.176 1.995 0.946 0.414 0.968 0.581 CA 1.422 42 residues pruned to eliminate duplicates Z: 36 26.008 1.946 0.913 0.412 0.914 0.657 CA 1.416 36 residues pruned to eliminate duplicates Z: 24 23.880 2.045 0.957 0.390 0.913 0.609 CB 1.531 24 residues pruned to eliminate duplicates Z: 21 19.134 1.993 0.878 0.381 0.900 0.500 CB 1.442 21 residues pruned to eliminate duplicates Z: 30 22.757 1.970 0.835 0.425 0.897 0.552 CB 1.409 30 residues pruned to eliminate duplicates Z: 20 17.923 2.041 0.911 0.411 0.895 0.474 CA 1.294 20 residues pruned to eliminate duplicates Z: 36 25.849 1.958 0.911 0.418 0.886 0.457 CB 1.435 36 residues pruned to eliminate duplicates Z: 32 21.792 1.997 0.964 0.337 0.839 0.484 CA 1.421 32 residues pruned to eliminate duplicates Z: 30 21.119 1.964 0.821 0.416 0.828 0.552 CA 1.447 30 residues pruned to eliminate duplicates Z: 39 23.276 1.914 0.773 0.390 0.868 0.447 CB 1.440 39 residues pruned to eliminate duplicates Z: 46 29.026 2.074 0.692 0.459 0.867 0.644 CA 1.484 46 residues pruned to eliminate duplicates Z: 49 32.878 2.047 0.780 0.500 0.875 0.604 CA 1.488 49 residues pruned to eliminate duplicates Z: 59 35.423 2.029 0.691 0.531 0.879 0.621 CA 1.494 59 residues pruned to eliminate duplicates Z: 51 29.713 2.038 0.763 0.426 0.820 0.560 CA 1.540 51 residues pruned to eliminate duplicates Z: 57 33.956 2.029 0.645 0.520 0.911 0.696 CA 1.462 57 residues pruned to eliminate duplicates Z: 24 25.536 2.045 0.732 0.604 0.913 0.696 CB 1.491 24 residues pruned to eliminate duplicates Z: 31 20.682 2.001 0.491 0.539 0.833 0.733 CA 1.461 31 residues pruned to eliminate duplicates Z: 50 25.313 1.966 0.637 0.397 0.939 0.571 CA 1.334 50 residues pruned to eliminate duplicates Z: 23 20.967 2.073 0.737 0.558 0.818 0.682 CB 1.434 23 residues pruned to eliminate duplicates Z: 57 38.774 2.046 0.824 0.537 0.929 0.732 CB 1.442 57 residues pruned to eliminate duplicates Z: 54 36.096 2.026 0.819 0.497 0.868 0.642 CB 1.554 54 residues pruned to eliminate duplicates Z: 59 38.219 2.034 0.788 0.526 0.914 0.741 CB 1.472 59 residues pruned to eliminate duplicates Z: 60 38.823 2.039 0.850 0.495 0.898 0.661 CA 1.499 60 residues pruned to eliminate duplicates Z: 60 38.142 2.013 0.693 0.535 0.932 0.627 CA 1.510 60 residues pruned to eliminate duplicates Z: 52 35.566 2.059 0.737 0.497 0.941 0.569 CB 1.485 52 residues pruned to eliminate duplicates Z: 52 34.272 2.038 0.760 0.563 0.902 0.667 CA 1.396 52 residues pruned to eliminate duplicates Z: 37 29.607 2.007 0.547 0.634 0.972 0.806 CB 1.442 37 residues pruned to eliminate duplicates Z: 57 30.688 1.986 0.828 0.431 0.839 0.661 CB 1.445 57 residues pruned to eliminate duplicates Z: 35 34.564 2.026 0.741 0.697 0.941 0.794 CB 1.491 35 residues pruned to eliminate duplicates Z: 54 41.259 2.021 0.839 0.549 0.962 0.660 CB 1.511 54 residues pruned to eliminate duplicates Z: 60 38.896 2.032 0.728 0.524 0.932 0.610 CB 1.510 60 residues pruned to eliminate duplicates Z: 54 41.179 2.055 0.904 0.546 0.925 0.679 CA 1.495 54 residues pruned to eliminate duplicates Z: 30 42.042 2.077 0.942 0.807 1.000 0.828 CB 1.481 31 residues pruned to eliminate duplicates Z: 35 35.441 2.018 0.820 0.666 0.941 0.765 CA 1.508 35 residues pruned to eliminate duplicates Z: 36 36.317 2.017 0.866 0.670 0.943 0.743 CB 1.478 36 residues pruned to eliminate duplicates Z: 36 34.517 2.040 0.805 0.636 0.943 0.743 CB 1.479 36 residues pruned to eliminate duplicates Z: 35 33.654 2.000 0.814 0.674 0.912 0.706 CB 1.486 35 residues pruned to eliminate duplicates Z: 55 39.983 2.032 0.871 0.531 0.944 0.685 CB 1.469 55 residues pruned to eliminate duplicates Z: 57 39.442 2.049 0.797 0.546 0.929 0.661 CB 1.475 57 residues pruned to eliminate duplicates Z: 53 39.831 2.086 0.782 0.542 0.923 0.558 CA 1.544 53 residues pruned to eliminate duplicates Z: 58 40.504 2.049 0.806 0.528 0.947 0.667 CB 1.489 58 residues pruned to eliminate duplicates Z: 59 40.183 2.028 0.850 0.501 0.914 0.517 CB 1.537 59 residues pruned to eliminate duplicates Z: 37 35.711 2.006 0.816 0.637 0.972 0.694 CA 1.478 37 residues pruned to eliminate duplicates Z: 9 3.141 1.594 0.621 0.184 0.750 0.375 CB 0.838 20 residues pruned to eliminate duplicates Z: 29 25.148 1.995 0.916 0.436 0.929 0.536 CB 1.430 29 residues pruned to eliminate duplicates Z: 30 22.650 2.001 0.744 0.415 0.897 0.483 CB 1.469 30 residues pruned to eliminate duplicates Z: 30 20.150 1.999 0.584 0.381 0.931 0.483 CB 1.440 30 residues pruned to eliminate duplicates Z: 14 20.820 1.959 0.849 0.614 1.000 0.846 CA 1.431 Z: 8 9.458 1.729 0.432 0.838 0.857 0.857 CA 1.259 8 residues pruned to eliminate duplicates Z: 17 14.182 1.852 0.635 0.522 0.812 0.500 CA 1.410 17 residues pruned to eliminate duplicates Z: 35 22.115 1.959 0.795 0.358 0.882 0.471 CB 1.425 49 residues pruned to eliminate duplicates Z: 10 5.653 1.738 0.520 0.327 0.778 0.556 CB 1.109 Z: 6 4.092 1.420 0.712 0.297 0.800 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 9 5.667 1.753 0.642 0.339 0.875 0.625 CA 0.948 18 residues pruned to eliminate duplicates Z: 8 5.895 1.692 0.688 0.410 0.714 0.429 CA 1.200 8 residues pruned to eliminate duplicates Z: 10 7.203 1.970 0.332 0.285 0.778 0.444 CA 1.499 9 residues pruned to eliminate duplicates Z: 6 4.756 1.920 0.334 0.532 1.000 0.400 CA 0.804 Z: 39 38.284 2.134 0.747 0.648 0.947 0.711 CA 1.532 45 residues pruned to eliminate duplicates Z: 37 36.068 2.123 0.751 0.644 0.944 0.722 CA 1.496 37 residues pruned to eliminate duplicates Z: 40 38.271 2.100 0.698 0.661 0.974 0.795 CB 1.520 40 residues pruned to eliminate duplicates Z: 30 37.427 2.162 0.830 0.722 1.000 0.793 CA 1.438 30 residues pruned to eliminate duplicates Z: 39 34.687 2.091 0.667 0.644 0.974 0.816 CA 1.449 39 residues pruned to eliminate duplicates Z: 64 41.259 2.094 0.654 0.585 0.952 0.667 CB 1.452 64 residues pruned to eliminate duplicates Z: 37 48.419 2.165 0.894 0.716 1.000 0.778 CA 1.619 37 residues pruned to eliminate duplicates Z: 34 38.762 2.129 0.841 0.683 0.970 0.758 CA 1.501 34 residues pruned to eliminate duplicates Z: 41 43.001 2.064 0.946 0.665 0.975 0.750 CA 1.491 41 residues pruned to eliminate duplicates Z: 42 41.296 2.060 0.835 0.655 0.951 0.683 CB 1.554 42 residues pruned to eliminate duplicates Z: 43 37.777 2.071 0.874 0.609 0.929 0.690 CB 1.459 43 residues pruned to eliminate duplicates Z: 33 47.768 2.207 0.895 0.779 1.000 0.781 CB 1.578 33 residues pruned to eliminate duplicates Z: 43 34.243 2.058 0.710 0.601 0.929 0.714 CA 1.468 43 residues pruned to eliminate duplicates Z: 48 36.341 2.061 0.575 0.668 0.957 0.766 CB 1.460 48 residues pruned to eliminate duplicates Z: 38 37.865 2.150 0.693 0.662 0.973 0.757 CA 1.513 38 residues pruned to eliminate duplicates Z: 40 46.539 2.136 0.958 0.708 0.974 0.692 CB 1.514 40 residues pruned to eliminate duplicates Z: 41 41.510 2.052 0.922 0.659 0.975 0.625 CB 1.472 41 residues pruned to eliminate duplicates Z: 38 43.965 2.119 0.899 0.687 0.973 0.622 CB 1.556 38 residues pruned to eliminate duplicates Z: 36 40.354 2.116 0.914 0.691 0.914 0.571 CA 1.547 36 residues pruned to eliminate duplicates Z: 32 45.502 2.170 1.094 0.747 0.968 0.613 CB 1.491 32 residues pruned to eliminate duplicates Z: 34 50.286 2.186 0.986 0.756 1.000 0.576 CB 1.605 34 residues pruned to eliminate duplicates Z: 36 40.617 2.126 0.879 0.655 0.971 0.571 CA 1.531 36 residues pruned to eliminate duplicates Z: 36 38.849 2.091 0.878 0.691 0.971 0.486 CB 1.445 36 residues pruned to eliminate duplicates Z: 37 44.263 2.177 0.870 0.695 0.972 0.500 CB 1.560 37 residues pruned to eliminate duplicates Z: 37 32.181 2.035 0.764 0.673 0.917 0.500 CB 1.390 37 residues pruned to eliminate duplicates Z: 42 36.539 2.071 0.919 0.601 0.902 0.512 CB 1.446 42 residues pruned to eliminate duplicates Z: 36 40.705 2.125 0.937 0.633 0.943 0.514 CA 1.565 36 residues pruned to eliminate duplicates Z: 7 5.357 1.686 0.521 0.321 1.000 0.333 CA 1.039 8 residues pruned to eliminate duplicates Z: 6 4.150 1.636 0.747 0.417 0.800 0.600 CA 0.885 Z: 7 3.167 1.565 0.798 0.438 0.667 0.333 CB 0.735 7 residues pruned to eliminate duplicates Z: 18 11.965 1.776 0.638 0.421 0.941 0.529 CB 1.151 18 residues pruned to eliminate duplicates Z: 45 18.998 1.859 0.777 0.299 0.818 0.500 CB 1.326 45 residues pruned to eliminate duplicates Z: 13 9.478 1.799 0.428 0.476 0.917 0.500 CA 1.191 15 residues pruned to eliminate duplicates Z: 24 13.629 1.888 0.459 0.445 0.826 0.609 CB 1.323 24 residues pruned to eliminate duplicates Z: 25 10.014 1.751 0.312 0.436 0.917 0.542 CB 1.038 25 residues pruned to eliminate duplicates Z: 25 13.754 1.880 0.357 0.417 0.875 0.542 CB 1.372 44 residues pruned to eliminate duplicates Z: 19 12.303 1.953 0.407 0.526 0.833 0.667 CB 1.235 Z: 16 9.502 1.721 0.570 0.444 0.867 0.533 CB 1.111 14 residues pruned to eliminate duplicates Z: 12 8.187 1.820 0.418 0.381 0.818 0.455 CA 1.327 12 residues pruned to eliminate duplicates Z: 35 16.995 1.867 0.526 0.393 0.941 0.559 CB 1.218 40 residues pruned to eliminate duplicates Z: 6 2.266 1.456 0.621 0.390 0.800 0.600 CA 0.603 6 residues pruned to eliminate duplicates Z: 9 9.620 1.840 0.131 0.654 1.000 0.750 CB 1.417 9 residues pruned to eliminate duplicates Z: 10 10.263 1.863 0.591 0.556 0.778 0.667 CA 1.405 10 residues pruned to eliminate duplicates Z: 8 8.853 1.997 0.201 0.550 0.857 0.429 CB 1.551 Z: 10 7.556 1.623 0.840 0.429 0.889 0.444 CA 1.021 9 residues pruned to eliminate duplicates Z: 15 6.219 1.616 0.769 0.350 0.857 0.429 CA 0.798 15 residues pruned to eliminate duplicates Z: 13 8.681 1.815 0.930 0.477 0.917 0.833 CA 0.799 23 residues pruned to eliminate duplicates Z: 10 9.959 1.717 1.065 0.605 0.889 0.667 CA 0.953 Z: 6 3.983 1.503 0.478 0.529 0.800 0.800 C 0.974 6 residues pruned to eliminate duplicates Z: 8 7.061 1.900 0.484 0.332 1.000 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 12 7.741 1.712 0.616 0.282 1.000 0.636 CB 1.079 12 residues pruned to eliminate duplicates Z: 9 4.540 1.733 0.266 0.266 0.875 0.375 CB 1.092 9 residues pruned to eliminate duplicates Z: 14 7.151 1.637 0.729 0.383 0.846 0.385 CB 0.937 14 residues pruned to eliminate duplicates Z: 11 6.535 1.694 0.364 0.352 1.000 0.600 CB 1.049 11 residues pruned to eliminate duplicates Z: 8 6.384 1.877 0.461 0.402 0.857 0.429 CB 1.138 8 residues pruned to eliminate duplicates Z: 12 8.016 1.711 0.588 0.325 1.000 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 6 6.260 1.512 0.813 0.397 1.000 0.600 CA 1.139 6 residues pruned to eliminate duplicates Z: 17 6.200 1.755 0.246 0.191 0.812 0.375 CB 1.262 17 residues pruned to eliminate duplicates Z: 12 5.703 1.829 0.310 0.350 0.727 0.545 CA 1.162 12 residues pruned to eliminate duplicates Z: 12 8.709 2.011 0.519 0.429 0.909 0.545 CB 1.018 12 residues pruned to eliminate duplicates Z: 6 2.973 1.477 0.881 0.326 0.800 0.600 CA 0.724 6 residues pruned to eliminate duplicates Z: 14 8.417 1.946 0.657 0.393 0.769 0.462 CB 1.055 14 residues pruned to eliminate duplicates Z: 7 7.879 2.019 0.917 0.338 0.833 0.500 CB 1.190 7 residues pruned to eliminate duplicates Z: 7 7.661 2.032 0.766 0.316 0.833 0.500 CB 1.281 7 residues pruned to eliminate duplicates Z: 10 13.271 1.838 0.641 0.715 0.889 0.778 CA 1.358 10 residues pruned to eliminate duplicates Z: 10 15.989 1.922 0.837 0.738 0.889 0.667 CA 1.372 10 residues pruned to eliminate duplicates Z: 11 9.541 1.751 0.616 0.639 0.800 0.700 CA 1.170 11 residues pruned to eliminate duplicates Z: 13 11.396 1.832 0.498 0.597 0.917 0.667 CA 1.193 13 residues pruned to eliminate duplicates Z: 11 12.173 1.692 0.500 0.719 1.000 0.700 CA 1.245 11 residues pruned to eliminate duplicates Z: 7 2.331 1.646 0.233 0.237 0.667 0.500 CA 0.955 6 residues pruned to eliminate duplicates 6 1.426 1.297 0.748 0.358 1.000 0.400 CA 0.328 ? Z: 6 5.493 1.400 0.797 0.454 1.000 0.400 CA 1.024 6 residues pruned to eliminate duplicates Z: 12 9.086 1.688 0.568 0.446 0.909 0.545 CA 1.204 12 residues pruned to eliminate duplicates Z: 14 9.209 1.742 0.664 0.484 0.769 0.385 CB 1.164 14 residues pruned to eliminate duplicates Z: 19 10.810 1.582 0.733 0.457 0.944 0.500 CA 1.028 19 residues pruned to eliminate duplicates Z: 21 10.791 1.691 0.580 0.444 0.800 0.500 CA 1.195 17 residues pruned to eliminate duplicates Z: 10 10.219 1.533 0.831 0.795 0.889 0.333 CB 1.055 10 residues pruned to eliminate duplicates Z: 10 11.286 1.780 0.795 0.748 0.889 0.444 CB 1.061 10 residues pruned to eliminate duplicates Z: 13 6.207 1.499 0.556 0.471 0.833 0.417 CB 0.950 13 residues pruned to eliminate duplicates Z: 16 9.882 1.534 0.922 0.533 0.867 0.533 CB 0.967 16 residues pruned to eliminate duplicates Z: 7 14.409 1.787 1.345 0.887 0.833 0.833 CB 1.215 8 residues pruned to eliminate duplicates Z: 6 5.818 1.478 0.437 0.743 1.000 0.800 CB 0.985 6 residues pruned to eliminate duplicates Z: 18 12.922 1.847 0.552 0.486 0.941 0.765 CB 1.178 18 residues pruned to eliminate duplicates Z: 22 13.520 1.908 0.535 0.458 0.905 0.810 CB 1.162 22 residues pruned to eliminate duplicates Z: 22 13.701 1.905 0.525 0.441 0.905 0.810 CB 1.209 22 residues pruned to eliminate duplicates Z: 6 5.166 1.660 0.534 0.354 0.800 0.600 CA 1.329 6 residues pruned to eliminate duplicates Z: 24 10.154 1.831 0.469 0.374 0.870 0.522 CB 1.036 24 residues pruned to eliminate duplicates Z: 22 14.108 1.876 0.567 0.442 0.952 0.619 CB 1.167 21 residues pruned to eliminate duplicates Z: 6 4.099 1.722 0.663 0.217 0.800 0.400 CB 1.115 6 residues pruned to eliminate duplicates Z: 20 9.029 1.735 0.361 0.393 0.842 0.474 CA 1.167 20 residues pruned to eliminate duplicates Z: 8 4.816 1.711 0.394 0.624 0.857 0.714 CA 0.792 8 residues pruned to eliminate duplicates Z: 13 4.646 1.613 0.420 0.374 0.750 0.500 CB 0.893 8 residues pruned to eliminate duplicates Z: 6 4.978 1.786 0.197 0.436 1.000 0.800 CA 1.113 Z: 6 4.287 1.642 -0.041 0.434 1.000 0.400 CB 1.303 Z: 6 4.263 1.708 0.195 0.434 1.000 0.000 CA 1.001 7 residues pruned to eliminate duplicates Z: 7 8.009 1.706 0.756 0.492 1.000 0.667 CA 1.100 7 residues pruned to eliminate duplicates Z: 34 16.279 1.912 0.443 0.486 0.909 0.576 CB 1.146 34 residues pruned to eliminate duplicates Z: 22 9.119 1.896 0.374 0.407 0.810 0.476 CB 1.040 22 residues pruned to eliminate duplicates Z: 32 17.402 1.978 0.373 0.484 0.903 0.645 CB 1.295 32 residues pruned to eliminate duplicates Z: 33 18.805 1.926 0.576 0.479 0.906 0.594 CB 1.234 33 residues pruned to eliminate duplicates Z: 33 18.869 1.944 0.438 0.485 0.938 0.625 CB 1.292 33 residues pruned to eliminate duplicates Z: 32 20.463 2.016 0.572 0.483 0.935 0.645 CB 1.261 32 residues pruned to eliminate duplicates Z: 32 16.344 1.951 0.509 0.421 0.871 0.581 CB 1.243 32 residues pruned to eliminate duplicates Z: 37 19.078 1.875 0.559 0.449 0.889 0.611 CB 1.289 33 residues pruned to eliminate duplicates Z: 6 3.315 1.389 0.556 0.361 1.000 0.600 CA 0.797 6 residues pruned to eliminate duplicates Z: 36 19.676 1.898 0.429 0.474 0.943 0.657 CB 1.335 36 residues pruned to eliminate duplicates 6 1.819 1.351 0.794 0.309 0.600 0.400 CB 0.692 ? Z: 6 4.092 1.565 0.419 0.402 0.800 0.400 CA 1.142 6 residues pruned to eliminate duplicates Z: 8 21.256 2.164 0.729 0.753 1.000 0.714 CA 1.713 13 residues pruned to eliminate duplicates Z: 9 17.758 2.039 0.850 0.707 1.000 0.875 CB 1.380 9 residues pruned to eliminate duplicates Z: 8 19.154 1.987 0.851 0.714 1.000 1.000 CA 1.622 8 residues pruned to eliminate duplicates Z: 33 20.438 1.968 0.539 0.495 0.938 0.594 CB 1.279 33 residues pruned to eliminate duplicates Z: 9 16.739 2.001 0.765 0.832 1.000 0.875 CB 1.258 9 residues pruned to eliminate duplicates Z: 17 9.650 1.996 0.347 0.302 0.875 0.438 CB 1.279 Z: 8 6.380 1.712 0.531 0.474 1.000 0.571 CA 0.945 9 residues pruned to eliminate duplicates Z: 7 3.150 1.524 0.630 0.481 0.833 0.500 CB 0.634 7 residues pruned to eliminate duplicates Z: 22 10.153 1.974 0.468 0.283 0.762 0.429 CB 1.282 16 residues pruned to eliminate duplicates Z: 6 5.727 2.120 0.271 0.299 0.800 0.600 CA 1.488 6 residues pruned to eliminate duplicates Z: 20 10.746 1.969 0.545 0.330 0.789 0.526 CB 1.237 19 residues pruned to eliminate duplicates Z: 6 3.905 1.545 0.715 0.378 0.800 0.400 CA 0.939 6 residues pruned to eliminate duplicates Z: 9 10.332 1.863 0.462 0.509 1.000 0.500 CA 1.330 9 residues pruned to eliminate duplicates Z: 16 11.001 2.008 0.721 0.391 0.800 0.533 CB 1.153 16 residues pruned to eliminate duplicates Z: 18 14.121 2.027 0.836 0.349 0.882 0.471 CB 1.229 22 residues pruned to eliminate duplicates Z: 6 3.122 1.772 0.934 0.314 0.600 0.600 CA 0.834 6 residues pruned to eliminate duplicates Z: 18 8.691 1.939 0.382 0.301 0.765 0.412 CB 1.285 18 residues pruned to eliminate duplicates Z: 33 17.565 1.977 0.439 0.404 0.875 0.469 CB 1.380 33 residues pruned to eliminate duplicates Z: 35 16.963 2.031 0.476 0.404 0.794 0.500 CB 1.352 35 residues pruned to eliminate duplicates Z: 36 17.322 1.978 0.393 0.423 0.857 0.571 CB 1.343 36 residues pruned to eliminate duplicates Z: 23 13.009 2.058 0.456 0.368 0.773 0.500 CB 1.380 23 residues pruned to eliminate duplicates Z: 35 17.834 2.041 0.440 0.402 0.853 0.529 CB 1.352 35 residues pruned to eliminate duplicates Z: 29 16.429 2.053 0.437 0.397 0.857 0.536 CB 1.369 29 residues pruned to eliminate duplicates Z: 35 16.997 2.020 0.456 0.372 0.853 0.529 CB 1.332 35 residues pruned to eliminate duplicates Z: 37 18.270 1.980 0.444 0.411 0.889 0.611 CB 1.315 37 residues pruned to eliminate duplicates Z: 77 22.310 1.919 0.495 0.387 0.868 0.539 CB 1.158 70 residues pruned to eliminate duplicates Z: 6 5.890 1.687 0.805 0.404 0.800 0.600 O 1.196 6 residues pruned to eliminate duplicates Z: 35 15.095 2.017 0.383 0.373 0.853 0.441 CB 1.247 35 residues pruned to eliminate duplicates Z: 20 15.649 2.075 0.542 0.435 0.842 0.579 CB 1.426 20 residues pruned to eliminate duplicates Z: 28 17.496 1.984 0.480 0.460 0.889 0.556 CB 1.345 25 residues pruned to eliminate duplicates Z: 6 4.111 1.536 0.501 0.268 1.000 0.400 N 1.039 6 residues pruned to eliminate duplicates Z: 19 21.166 2.109 0.587 0.578 0.944 0.722 CA 1.464 19 residues pruned to eliminate duplicates Z: 24 21.774 2.040 0.605 0.553 0.957 0.609 CB 1.377 24 residues pruned to eliminate duplicates Z: 26 15.058 1.891 0.491 0.427 0.840 0.440 CB 1.372 26 residues pruned to eliminate duplicates Z: 24 18.038 2.024 0.668 0.449 0.870 0.478 CB 1.350 24 residues pruned to eliminate duplicates Z: 32 19.643 2.024 0.513 0.476 0.839 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 27 17.456 1.985 0.652 0.459 0.846 0.423 CB 1.287 27 residues pruned to eliminate duplicates Z: 12 9.486 1.991 0.422 0.516 0.818 0.636 CA 1.216 12 residues pruned to eliminate duplicates Z: 19 15.186 1.902 0.634 0.492 0.889 0.611 CB 1.306 19 residues pruned to eliminate duplicates Z: 24 16.442 1.941 0.640 0.420 0.957 0.565 CB 1.224 24 residues pruned to eliminate duplicates Z: 10 6.322 1.923 0.373 0.537 0.889 0.556 CB 0.866 10 residues pruned to eliminate duplicates Z: 12 10.934 1.981 0.774 0.429 0.909 0.455 CB 1.110 12 residues pruned to eliminate duplicates Z: 13 9.809 1.899 0.607 0.400 0.833 0.417 CA 1.237 13 residues pruned to eliminate duplicates Z: 13 11.431 1.982 0.788 0.399 0.917 0.417 CB 1.130 16 residues pruned to eliminate duplicates Z: 6 4.134 1.228 0.640 0.481 1.000 0.400 CB 0.936 6 residues pruned to eliminate duplicates Z: 77 35.905 2.041 0.456 0.553 0.934 0.645 CA 1.409 77 residues pruned to eliminate duplicates Z: 41 33.063 2.039 0.650 0.649 0.975 0.700 CA 1.387 41 residues pruned to eliminate duplicates Z: 41 24.398 1.980 0.457 0.618 0.950 0.725 CA 1.259 41 residues pruned to eliminate duplicates Z: 25 17.068 2.006 0.327 0.544 0.958 0.750 CA 1.308 25 residues pruned to eliminate duplicates Z: 88 43.899 2.009 0.652 0.563 0.954 0.655 CA 1.398 88 residues pruned to eliminate duplicates Z: 46 23.121 1.917 0.523 0.525 0.911 0.556 CA 1.264 46 residues pruned to eliminate duplicates Z: 18 11.256 2.004 0.364 0.482 0.882 0.765 CA 1.153 18 residues pruned to eliminate duplicates Z: 83 37.589 1.992 0.604 0.570 0.878 0.671 CA 1.382 83 residues pruned to eliminate duplicates Z: 19 11.100 1.961 0.338 0.440 0.944 0.500 CA 1.123 19 residues pruned to eliminate duplicates Z: 45 25.857 2.010 0.318 0.616 0.977 0.750 CA 1.350 45 residues pruned to eliminate duplicates Z: 36 25.813 1.970 0.502 0.617 0.971 0.743 CA 1.359 36 residues pruned to eliminate duplicates Z: 63 34.052 2.034 0.574 0.509 0.952 0.629 CA 1.407 63 residues pruned to eliminate duplicates Z: 69 41.280 2.073 0.584 0.599 0.985 0.721 CA 1.408 69 residues pruned to eliminate duplicates Z: 57 29.114 2.009 0.415 0.570 0.911 0.661 CA 1.404 113 residues pruned to eliminate duplicates Z: 21 20.277 1.987 0.236 0.863 1.000 0.850 CA 1.354 21 residues pruned to eliminate duplicates Z: 73 37.683 2.017 0.539 0.584 0.931 0.694 CA 1.419 73 residues pruned to eliminate duplicates Z: 30 24.522 2.028 0.479 0.662 1.000 0.793 CA 1.307 30 residues pruned to eliminate duplicates Z: 47 39.931 2.044 0.687 0.702 1.000 0.804 CA 1.420 47 residues pruned to eliminate duplicates Z: 27 34.383 2.038 0.929 0.801 0.923 0.808 CA 1.428 27 residues pruned to eliminate duplicates Z: 44 35.872 2.018 0.717 0.632 1.000 0.581 CA 1.395 44 residues pruned to eliminate duplicates Z: 29 29.499 1.979 0.690 0.769 0.929 0.607 CA 1.415 29 residues pruned to eliminate duplicates Z: 29 28.737 2.029 0.657 0.745 0.964 0.679 CA 1.345 29 residues pruned to eliminate duplicates Z: 76 43.810 2.045 0.677 0.587 0.947 0.693 CA 1.433 76 residues pruned to eliminate duplicates Z: 69 48.610 2.065 0.808 0.620 0.941 0.662 CA 1.498 69 residues pruned to eliminate duplicates Z: 68 38.712 1.985 0.663 0.626 0.925 0.687 CA 1.375 68 residues pruned to eliminate duplicates Z: 36 25.571 1.959 0.613 0.593 0.943 0.657 CA 1.327 36 residues pruned to eliminate duplicates Z: 72 44.798 2.062 0.637 0.602 0.972 0.662 CA 1.471 72 residues pruned to eliminate duplicates Z: 34 30.941 2.045 0.665 0.654 0.970 0.727 CA 1.414 34 residues pruned to eliminate duplicates Z: 56 31.335 1.986 0.546 0.535 0.945 0.545 CB 1.406 56 residues pruned to eliminate duplicates Z: 30 31.230 1.977 0.823 0.744 0.966 0.690 CA 1.339 30 residues pruned to eliminate duplicates Z: 70 50.092 2.057 0.838 0.623 0.971 0.609 CB 1.462 70 residues pruned to eliminate duplicates Z: 70 37.078 1.993 0.716 0.527 0.928 0.652 CA 1.370 70 residues pruned to eliminate duplicates Z: 70 41.571 2.024 0.745 0.576 0.928 0.638 CB 1.419 70 residues pruned to eliminate duplicates Z: 45 29.605 2.043 0.753 0.515 0.886 0.568 CB 1.385 45 residues pruned to eliminate duplicates Z: 72 46.439 2.067 0.784 0.622 0.944 0.662 CA 1.411 72 residues pruned to eliminate duplicates Z: 75 43.669 2.028 0.696 0.581 0.973 0.649 CA 1.403 75 residues pruned to eliminate duplicates Z: 49 41.773 2.022 0.873 0.663 0.979 0.604 CB 1.398 49 residues pruned to eliminate duplicates Z: 48 34.140 2.026 0.751 0.527 0.957 0.532 CB 1.427 48 residues pruned to eliminate duplicates Z: 74 44.610 2.059 0.718 0.580 0.945 0.548 CA 1.446 74 residues pruned to eliminate duplicates Z: 82 41.283 1.973 0.813 0.536 0.914 0.469 CB 1.355 82 residues pruned to eliminate duplicates Z: 73 43.413 2.065 0.649 0.619 0.958 0.694 CA 1.401 73 residues pruned to eliminate duplicates Z: 72 48.819 2.069 0.779 0.611 0.972 0.676 CA 1.458 72 residues pruned to eliminate duplicates Z: 71 38.847 2.022 0.647 0.534 0.957 0.571 CB 1.408 71 residues pruned to eliminate duplicates Z: 47 44.863 2.056 0.950 0.681 0.978 0.674 CA 1.428 47 residues pruned to eliminate duplicates Z: 39 29.152 2.019 0.704 0.510 0.974 0.763 CB 1.397 Z: 11 16.643 1.975 0.886 0.901 0.900 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 48 44.191 2.042 0.840 0.698 1.000 0.681 CB 1.433 87 residues pruned to eliminate duplicates Z: 66 47.002 2.068 0.753 0.605 1.000 0.615 CB 1.455 66 residues pruned to eliminate duplicates Z: 22 23.979 1.971 0.972 0.624 1.000 0.619 CB 1.198 22 residues pruned to eliminate duplicates Z: 71 46.528 2.051 0.702 0.617 0.957 0.614 CA 1.490 71 residues pruned to eliminate duplicates Z: 71 47.340 2.068 0.752 0.627 0.929 0.657 CA 1.493 71 residues pruned to eliminate duplicates Z: 76 41.204 2.023 0.642 0.570 0.947 0.560 CA 1.414 76 residues pruned to eliminate duplicates Z: 29 19.479 2.026 0.648 0.355 0.893 0.500 CA 1.443 Z: 6 5.103 2.032 0.234 0.355 1.000 0.200 CA 1.065 6 residues pruned to eliminate duplicates Z: 28 21.285 2.070 0.787 0.425 0.778 0.407 CA 1.539 25 residues pruned to eliminate duplicates Z: 6 6.192 1.686 0.592 0.451 1.000 0.600 CA 1.085 6 residues pruned to eliminate duplicates Z: 29 20.740 2.045 0.591 0.437 0.857 0.393 CB 1.500 29 residues pruned to eliminate duplicates Z: 74 40.714 2.021 0.717 0.587 0.904 0.630 CA 1.397 74 residues pruned to eliminate duplicates Z: 25 19.775 2.079 0.640 0.373 0.917 0.625 CA 1.480 25 residues pruned to eliminate duplicates Z: 9 11.515 1.829 0.790 0.531 0.875 0.750 CA 1.378 9 residues pruned to eliminate duplicates Z: 49 30.275 1.964 0.607 0.526 0.979 0.500 CB 1.379 81 residues pruned to eliminate duplicates Z: 30 25.116 2.033 0.754 0.452 0.931 0.483 CA 1.476 Z: 9 11.917 1.918 0.725 0.825 0.875 0.625 CA 1.099 9 residues pruned to eliminate duplicates Z: 40 24.533 1.923 0.828 0.409 0.897 0.462 CA 1.370 31 residues pruned to eliminate duplicates Z: 11 10.322 1.703 0.837 0.710 0.900 0.500 CA 0.959 11 residues pruned to eliminate duplicates Z: 31 23.345 1.983 0.750 0.449 0.900 0.567 CA 1.438 31 residues pruned to eliminate duplicates Z: 39 18.930 1.908 0.594 0.361 0.842 0.474 CB 1.391 39 residues pruned to eliminate duplicates Z: 8 11.273 1.805 0.624 0.690 1.000 0.571 CA 1.222 9 residues pruned to eliminate duplicates Z: 6 3.130 1.768 0.371 0.291 0.600 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 33 9.201 1.657 0.377 0.384 0.844 0.656 CB 0.955 33 residues pruned to eliminate duplicates Z: 6 6.148 1.766 0.891 0.436 1.000 1.000 CB 0.879 6 residues pruned to eliminate duplicates Z: 14 8.847 1.906 0.568 0.403 0.846 0.538 CB 1.074 14 residues pruned to eliminate duplicates Z: 13 8.460 1.894 0.637 0.456 0.833 0.417 CB 0.988 14 residues pruned to eliminate duplicates Z: 6 2.225 1.444 0.379 0.357 0.600 0.400 CA 0.972 Z: 7 10.320 1.838 0.790 0.554 1.000 0.333 CA 1.215 7 residues pruned to eliminate duplicates Z: 36 17.797 2.086 0.620 0.348 0.800 0.486 CB 1.312 36 residues pruned to eliminate duplicates Z: 17 15.192 2.101 0.548 0.422 0.875 0.500 CB 1.448 17 residues pruned to eliminate duplicates Z: 12 12.562 2.194 0.738 0.384 0.909 0.364 CB 1.236 12 residues pruned to eliminate duplicates Z: 24 19.779 2.104 0.513 0.429 0.870 0.522 CB 1.603 24 residues pruned to eliminate duplicates Z: 18 12.848 2.024 0.550 0.398 0.882 0.471 CB 1.254 18 residues pruned to eliminate duplicates Z: 35 12.884 2.008 0.448 0.300 0.794 0.412 CB 1.196 35 residues pruned to eliminate duplicates Z: 17 14.206 2.113 0.566 0.385 0.875 0.562 CB 1.386 17 residues pruned to eliminate duplicates Z: 37 15.829 1.979 0.555 0.329 0.861 0.389 CB 1.201 37 residues pruned to eliminate duplicates Z: 60 19.884 2.005 0.474 0.360 0.797 0.424 CB 1.279 60 residues pruned to eliminate duplicates Z: 25 12.407 2.083 0.438 0.352 0.792 0.417 CB 1.254 25 residues pruned to eliminate duplicates Z: 35 14.219 2.017 0.508 0.330 0.765 0.500 CB 1.263 35 residues pruned to eliminate duplicates Z: 18 14.848 2.169 0.697 0.353 0.824 0.471 CB 1.393 18 residues pruned to eliminate duplicates Z: 18 13.191 2.074 0.504 0.347 0.882 0.647 CB 1.372 18 residues pruned to eliminate duplicates Z: 14 6.535 1.733 0.583 0.143 0.923 0.231 CB 1.112 14 residues pruned to eliminate duplicates Z: 24 12.465 2.080 0.602 0.303 0.739 0.478 CB 1.314 24 residues pruned to eliminate duplicates Z: 22 9.622 2.116 0.184 0.328 0.810 0.667 CB 1.251 22 residues pruned to eliminate duplicates Z: 37 14.490 1.992 0.509 0.268 0.833 0.472 CB 1.256 37 residues pruned to eliminate duplicates Z: 34 18.074 1.924 0.559 0.380 0.909 0.606 CA 1.312 34 residues pruned to eliminate duplicates Z: 28 11.094 2.021 0.355 0.282 0.741 0.630 CB 1.346 28 residues pruned to eliminate duplicates Z: 39 17.234 2.075 0.540 0.334 0.868 0.553 CB 1.208 39 residues pruned to eliminate duplicates Z: 42 14.807 1.976 0.447 0.346 0.805 0.488 CB 1.187 42 residues pruned to eliminate duplicates Z: 21 11.943 2.069 0.434 0.290 0.850 0.600 CB 1.341 21 residues pruned to eliminate duplicates Z: 36 17.713 1.969 0.516 0.408 0.857 0.600 CB 1.288 36 residues pruned to eliminate duplicates Z: 35 17.166 2.002 0.577 0.380 0.882 0.559 CB 1.200 42 residues pruned to eliminate duplicates Z: 6 2.769 1.158 0.617 0.405 1.000 0.800 CA 0.731 6 residues pruned to eliminate duplicates Z: 6 9.233 1.887 0.447 0.723 1.000 1.000 CB 1.237 6 residues pruned to eliminate duplicates Z: 14 6.820 1.676 0.625 0.436 0.692 0.538 CB 1.073 14 residues pruned to eliminate duplicates Z: 26 11.751 1.784 0.472 0.470 0.880 0.560 CB 1.048 26 residues pruned to eliminate duplicates Z: 7 12.191 1.823 0.725 0.642 1.000 0.667 CB 1.386 7 residues pruned to eliminate duplicates Z: 14 15.622 1.958 0.847 0.459 1.000 0.615 CB 1.250 12 residues pruned to eliminate duplicates Z: 55 21.229 2.003 0.587 0.363 0.833 0.500 CB 1.264 69 residues pruned to eliminate duplicates Z: 19 12.798 1.748 0.830 0.421 0.889 0.556 CB 1.152 Z: 7 6.311 1.582 0.528 0.414 1.000 0.500 CA 1.166 7 residues pruned to eliminate duplicates Z: 10 7.505 1.854 0.885 0.411 0.889 0.667 CB 0.883 14 residues pruned to eliminate duplicates Z: 6 4.139 1.562 0.583 0.277 1.000 0.400 CB 0.963 6 residues pruned to eliminate duplicates Z: 16 13.489 1.893 0.654 0.474 0.867 0.533 CA 1.317 17 residues pruned to eliminate duplicates Z: 6 3.436 1.580 0.903 0.218 0.800 0.200 CA 0.889 Z: 7 4.190 1.484 0.685 0.324 0.833 0.667 CA 0.996 Z: 7 4.906 1.445 0.757 0.385 0.833 0.667 CB 1.069 7 residues pruned to eliminate duplicates Z: 12 16.496 1.962 0.809 0.551 0.909 0.727 CB 1.466 12 residues pruned to eliminate duplicates Z: 6 6.135 1.586 0.612 0.420 1.000 0.600 CA 1.166 6 residues pruned to eliminate duplicates 757 residues left after pruning, divided into chains as follows: A: 7 B: 16 C: 7 D: 26 E: 6 F: 72 G: 13 H: 57 I: 13 J: 10 K: 9 L: 7 M: 8 N: 16 O: 59 P: 11 Q: 10 R: 33 S: 9 T: 32 U: 142 V: 38 W: 19 X: 22 Y: 7 Z: 34 Z: 13 Z: 12 Z: 25 Z: 9 Z: 15 CC for partial structure against native data = 28.38 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.370, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.523, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.533, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.539, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.545, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.549, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.552, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.553, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6305 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1329 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 16.340 2.024 0.741 0.730 1.000 1.000 CB 1.333 B: 22 33.770 2.193 0.556 0.931 1.000 0.905 CB 1.509 C: 13 16.833 2.032 0.844 0.568 0.917 0.833 CB 1.324 D: 22 28.843 2.171 0.428 0.929 0.952 0.857 CB 1.493 22 residues pruned to eliminate duplicates E: 21 44.788 2.265 0.961 0.947 0.950 0.750 CB 1.640 F: 19 29.049 2.103 0.612 0.900 1.000 0.667 CA 1.443 G: 69 45.829 2.134 0.784 0.579 0.926 0.618 CB 1.460 21 residues pruned to eliminate duplicates H: 21 44.677 2.257 0.937 0.927 1.000 0.850 CB 1.601 21 residues pruned to eliminate duplicates I: 74 25.150 1.969 0.612 0.356 0.849 0.603 CB 1.276 J: 16 26.012 2.177 0.414 0.914 1.000 0.800 CA 1.543 16 residues pruned to eliminate duplicates K: 22 36.095 2.194 0.667 0.930 0.952 0.667 CB 1.580 22 residues pruned to eliminate duplicates L: 21 25.782 2.047 0.401 0.919 1.000 0.850 CB 1.417 M: 29 19.154 2.073 0.517 0.503 0.929 0.607 CB 1.236 29 residues pruned to eliminate duplicates N: 11 8.697 1.841 0.477 0.396 1.000 0.600 CA 1.129 O: 29 28.390 2.074 0.800 0.541 0.929 0.571 CB 1.486 P: 20 45.939 2.295 0.969 0.950 1.000 1.000 CB 1.609 20 residues pruned to eliminate duplicates Q: 21 43.038 2.268 0.790 0.925 1.000 0.850 CB 1.663 21 residues pruned to eliminate duplicates R: 19 40.443 2.270 0.871 0.935 1.000 0.944 CB 1.564 19 residues pruned to eliminate duplicates S: 22 40.988 2.138 0.880 0.901 1.000 0.762 CA 1.589 22 residues pruned to eliminate duplicates T: 19 24.405 2.082 0.545 0.908 0.944 0.778 CA 1.345 19 residues pruned to eliminate duplicates U: 15 14.681 2.044 0.738 0.410 0.857 0.571 CB 1.416 15 residues pruned to eliminate duplicates V: 9 12.225 1.767 0.479 0.809 0.875 0.750 CA 1.444 W: 31 35.784 2.097 0.541 0.766 1.000 0.867 CB 1.598 21 residues pruned to eliminate duplicates X: 21 39.320 2.100 0.889 0.937 1.000 1.000 CB 1.542 21 residues pruned to eliminate duplicates Y: 15 9.094 1.641 0.434 0.638 0.857 0.571 CB 1.059 Z: 6 6.735 1.670 0.072 0.807 1.000 0.800 CB 1.288 6 residues pruned to eliminate duplicates Z: 21 34.983 2.079 0.722 0.921 1.000 0.950 CB 1.537 21 residues pruned to eliminate duplicates Z: 11 12.273 2.006 0.329 0.502 0.900 0.600 CB 1.615 Z: 39 16.123 2.038 0.460 0.320 0.763 0.421 CB 1.404 23 residues pruned to eliminate duplicates Z: 11 12.438 1.972 0.186 0.889 1.000 0.800 CA 1.211 11 residues pruned to eliminate duplicates Z: 19 19.089 2.055 0.382 0.898 0.944 0.722 CA 1.200 19 residues pruned to eliminate duplicates Z: 22 32.429 2.017 0.748 0.916 1.000 0.810 CB 1.417 22 residues pruned to eliminate duplicates Z: 31 28.215 2.122 0.894 0.457 0.933 0.567 CB 1.436 15 residues pruned to eliminate duplicates Z: 21 39.737 2.103 0.914 0.947 1.000 0.900 CB 1.526 21 residues pruned to eliminate duplicates Z: 23 18.781 2.021 0.689 0.476 0.955 0.409 CB 1.259 23 residues pruned to eliminate duplicates Z: 21 32.568 2.214 0.567 0.941 1.000 0.800 CB 1.457 21 residues pruned to eliminate duplicates Z: 16 9.692 1.864 0.262 0.458 1.000 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 32 28.350 2.096 0.661 0.505 0.968 0.581 CB 1.504 31 residues pruned to eliminate duplicates Z: 21 35.939 2.057 0.773 0.926 1.000 0.850 CB 1.546 21 residues pruned to eliminate duplicates Z: 10 14.446 2.157 0.407 0.906 0.889 0.667 CB 1.270 10 residues pruned to eliminate duplicates Z: 10 9.950 1.931 0.835 0.475 0.889 0.556 CA 1.080 Z: 42 26.960 2.087 0.734 0.398 0.878 0.585 CA 1.476 32 residues pruned to eliminate duplicates Z: 9 15.008 1.766 0.576 0.813 1.000 0.625 CA 1.452 9 residues pruned to eliminate duplicates Z: 55 46.103 2.160 0.800 0.654 0.944 0.685 CB 1.480 53 residues pruned to eliminate duplicates Z: 18 15.555 2.106 0.747 0.434 0.824 0.353 CA 1.333 18 residues pruned to eliminate duplicates Z: 32 34.089 2.113 0.592 0.703 0.968 0.839 CB 1.564 33 residues pruned to eliminate duplicates Z: 23 26.172 2.202 0.988 0.335 0.955 0.500 CA 1.599 23 residues pruned to eliminate duplicates Z: 20 33.356 2.244 0.834 0.919 0.895 0.632 CB 1.464 20 residues pruned to eliminate duplicates Z: 10 9.206 1.721 0.719 0.374 0.889 0.556 CA 1.335 Z: 12 14.482 1.980 0.680 0.510 0.909 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 21 34.660 2.167 0.687 0.894 1.000 0.800 CB 1.521 21 residues pruned to eliminate duplicates Z: 8 9.846 2.000 0.139 0.674 1.000 0.714 CB 1.392 8 residues pruned to eliminate duplicates Z: 22 29.421 2.087 0.716 0.907 1.000 0.905 CB 1.274 22 residues pruned to eliminate duplicates Z: 13 18.573 1.950 0.351 0.912 1.000 0.917 CA 1.442 13 residues pruned to eliminate duplicates Z: 13 17.726 2.054 0.683 0.932 1.000 0.667 CB 1.034 13 residues pruned to eliminate duplicates Z: 12 6.747 2.011 0.662 0.301 0.727 0.455 CB 1.046 12 residues pruned to eliminate duplicates Z: 11 13.536 2.004 0.643 0.862 0.900 0.800 CB 1.060 Z: 61 35.968 2.041 0.656 0.541 0.917 0.600 CA 1.439 30 residues pruned to eliminate duplicates Z: 10 5.968 1.678 0.370 0.615 0.778 0.556 CB 0.997 Z: 37 17.588 2.044 0.688 0.319 0.722 0.417 CB 1.437 26 residues pruned to eliminate duplicates Z: 17 9.336 2.019 0.371 0.379 0.750 0.438 CB 1.279 17 residues pruned to eliminate duplicates Z: 18 35.182 2.159 0.825 0.902 1.000 0.706 CA 1.544 18 residues pruned to eliminate duplicates Z: 28 17.005 1.841 0.688 0.502 0.926 0.704 CB 1.135 15 residues pruned to eliminate duplicates Z: 20 35.547 2.083 0.785 0.925 1.000 0.789 CB 1.539 20 residues pruned to eliminate duplicates Z: 10 10.251 1.898 0.633 0.591 0.889 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 22 30.301 2.095 0.751 0.889 0.952 0.476 CB 1.363 20 residues pruned to eliminate duplicates Z: 6 10.472 1.898 1.004 0.684 0.800 0.800 CB 1.299 6 residues pruned to eliminate duplicates Z: 15 18.412 1.947 0.707 0.647 0.929 0.429 CA 1.391 15 residues pruned to eliminate duplicates Z: 20 41.686 2.247 0.983 0.938 1.000 0.789 CB 1.492 20 residues pruned to eliminate duplicates Z: 9 9.939 1.909 1.020 0.425 0.750 0.375 CA 1.314 9 residues pruned to eliminate duplicates Z: 19 8.628 1.744 0.333 0.320 0.833 0.444 CB 1.280 Z: 20 45.809 2.243 1.094 0.905 1.000 0.737 CB 1.593 20 residues pruned to eliminate duplicates Z: 14 13.705 1.902 0.511 0.839 0.923 0.615 CB 1.070 14 residues pruned to eliminate duplicates Z: 20 46.145 2.264 0.987 0.933 1.000 0.684 CB 1.642 20 residues pruned to eliminate duplicates Z: 16 27.954 2.175 0.856 0.896 0.933 0.667 CB 1.371 16 residues pruned to eliminate duplicates Z: 20 24.876 2.256 1.006 0.377 0.895 0.474 CA 1.607 20 residues pruned to eliminate duplicates Z: 18 16.875 2.005 0.638 0.570 0.882 0.765 CB 1.320 18 residues pruned to eliminate duplicates Z: 20 33.402 2.081 0.685 0.923 1.000 0.947 CB 1.537 20 residues pruned to eliminate duplicates Z: 11 11.229 1.782 0.605 0.749 1.000 0.900 CB 0.993 10 residues pruned to eliminate duplicates Z: 21 46.722 2.262 0.946 0.944 1.000 0.800 CB 1.643 21 residues pruned to eliminate duplicates Z: 35 18.585 2.059 0.471 0.349 0.882 0.529 CB 1.405 35 residues pruned to eliminate duplicates Z: 21 45.040 2.257 0.916 0.923 1.000 0.750 CB 1.637 21 residues pruned to eliminate duplicates Z: 7 6.772 1.654 0.562 0.433 0.833 0.500 CB 1.377 Z: 57 23.185 1.926 0.561 0.465 0.821 0.625 CB 1.301 21 residues pruned to eliminate duplicates Z: 16 34.935 2.194 0.877 0.910 1.000 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 6 8.314 1.866 0.760 0.670 0.800 0.600 CB 1.210 6 residues pruned to eliminate duplicates Z: 15 12.015 1.857 0.818 0.361 0.857 0.571 CB 1.289 Z: 10 16.365 1.759 0.711 0.827 1.000 0.556 CA 1.365 9 residues pruned to eliminate duplicates Z: 21 52.775 2.251 1.207 0.943 1.000 0.650 CB 1.646 21 residues pruned to eliminate duplicates Z: 20 35.987 2.098 0.830 0.924 1.000 0.895 CA 1.510 20 residues pruned to eliminate duplicates Z: 45 38.863 2.094 0.652 0.600 0.932 0.727 CB 1.652 52 residues pruned to eliminate duplicates Z: 23 13.703 1.974 0.432 0.372 0.864 0.500 CB 1.373 Z: 38 30.239 1.927 0.818 0.559 0.919 0.649 CA 1.458 38 residues pruned to eliminate duplicates Z: 20 48.021 2.247 1.161 0.932 1.000 0.684 CB 1.585 20 residues pruned to eliminate duplicates Z: 13 11.211 1.974 0.736 0.408 0.833 0.583 CB 1.248 Z: 20 46.263 2.286 0.981 0.932 1.000 0.684 CB 1.636 20 residues pruned to eliminate duplicates Z: 12 6.700 1.789 0.869 0.538 0.636 0.273 CB 0.915 12 residues pruned to eliminate duplicates Z: 20 39.565 2.252 0.937 0.917 1.000 0.684 CB 1.468 22 residues pruned to eliminate duplicates Z: 28 13.669 1.904 0.355 0.394 0.963 0.593 CB 1.184 19 residues pruned to eliminate duplicates Z: 21 33.517 2.192 0.795 0.889 0.950 0.750 CB 1.443 21 residues pruned to eliminate duplicates Z: 10 9.012 1.934 0.750 0.368 0.778 0.667 CB 1.316 10 residues pruned to eliminate duplicates Z: 37 22.964 1.930 0.748 0.476 0.917 0.667 CB 1.268 34 residues pruned to eliminate duplicates Z: 24 9.711 1.931 0.101 0.422 0.826 0.522 CB 1.251 11 residues pruned to eliminate duplicates Z: 19 31.705 2.049 0.978 0.916 1.000 0.611 CA 1.302 19 residues pruned to eliminate duplicates Z: 9 8.477 1.750 0.303 0.622 1.000 0.750 CA 1.171 Z: 20 31.058 2.071 0.753 0.906 1.000 0.684 CB 1.396 20 residues pruned to eliminate duplicates Z: 7 3.763 1.751 0.593 0.555 0.667 0.500 CB 0.783 Z: 19 30.057 2.086 0.729 0.926 0.944 0.722 CA 1.458 19 residues pruned to eliminate duplicates Z: 68 25.388 1.926 0.659 0.398 0.866 0.567 CB 1.249 43 residues pruned to eliminate duplicates Z: 11 14.230 1.558 1.188 0.803 0.900 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 21 40.038 2.246 0.842 0.931 1.000 0.900 CB 1.512 21 residues pruned to eliminate duplicates Z: 16 7.569 1.795 0.550 0.365 0.733 0.467 CB 1.108 16 residues pruned to eliminate duplicates Z: 19 11.654 1.852 0.643 0.340 0.833 0.444 CA 1.290 22 residues pruned to eliminate duplicates Z: 21 31.553 2.186 0.550 0.895 1.000 0.750 CB 1.493 20 residues pruned to eliminate duplicates Z: 13 8.666 1.811 0.618 0.503 0.750 0.750 CB 1.135 Z: 22 35.927 2.163 0.767 0.902 0.952 0.619 CB 1.537 22 residues pruned to eliminate duplicates Z: 20 23.164 2.076 0.262 0.900 1.000 0.947 CA 1.449 20 residues pruned to eliminate duplicates Z: 32 20.321 2.043 0.455 0.492 0.903 0.645 CB 1.371 31 residues pruned to eliminate duplicates Z: 10 20.246 2.048 0.874 0.891 1.000 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 29 17.169 1.961 0.604 0.298 0.893 0.429 CB 1.448 22 residues pruned to eliminate duplicates Z: 37 26.557 1.979 0.427 0.651 0.972 0.778 CA 1.401 37 residues pruned to eliminate duplicates Z: 21 32.290 2.232 0.598 0.920 1.000 0.500 CB 1.426 21 residues pruned to eliminate duplicates Z: 26 26.488 2.104 0.909 0.477 0.920 0.560 CB 1.468 26 residues pruned to eliminate duplicates Z: 6 3.902 1.685 0.126 0.537 0.800 0.600 CA 1.108 6 residues pruned to eliminate duplicates Z: 35 18.518 1.970 0.435 0.482 0.882 0.618 CB 1.297 35 residues pruned to eliminate duplicates Z: 19 33.701 2.113 0.871 0.905 0.944 0.611 CA 1.514 19 residues pruned to eliminate duplicates Z: 28 21.422 2.080 0.561 0.500 0.852 0.556 CA 1.491 26 residues pruned to eliminate duplicates Z: 12 11.918 2.130 0.996 0.425 0.727 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 34 27.704 2.025 0.553 0.649 1.000 0.758 CA 1.334 34 residues pruned to eliminate duplicates Z: 18 13.560 1.918 0.535 0.475 0.941 0.529 CB 1.218 10 residues pruned to eliminate duplicates Z: 16 23.053 2.023 0.733 0.621 1.000 0.533 CB 1.515 16 residues pruned to eliminate duplicates Z: 13 8.965 1.778 0.607 0.483 0.750 0.667 CA 1.229 Z: 18 11.696 2.127 0.503 0.312 0.765 0.588 CB 1.429 18 residues pruned to eliminate duplicates Z: 65 39.778 2.064 0.631 0.539 0.938 0.656 CA 1.516 66 residues pruned to eliminate duplicates Z: 9 14.109 1.761 0.494 0.841 1.000 0.625 CA 1.414 9 residues pruned to eliminate duplicates Z: 9 10.404 1.798 0.634 0.546 0.875 0.625 CB 1.368 9 residues pruned to eliminate duplicates Z: 21 34.533 2.097 0.907 0.926 1.000 0.700 CB 1.354 21 residues pruned to eliminate duplicates Z: 32 21.811 2.041 0.651 0.425 0.806 0.419 CA 1.558 32 residues pruned to eliminate duplicates Z: 35 15.504 1.871 0.502 0.386 0.853 0.618 CA 1.253 35 residues pruned to eliminate duplicates Z: 12 13.146 1.979 0.739 0.509 0.909 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 20 39.901 2.251 0.924 0.916 0.947 0.526 CB 1.576 20 residues pruned to eliminate duplicates Z: 22 24.485 1.914 0.487 0.902 0.952 0.857 CA 1.406 22 residues pruned to eliminate duplicates Z: 7 12.215 1.895 0.422 0.794 1.000 0.833 CB 1.430 Z: 36 18.272 1.916 0.451 0.468 0.943 0.714 CB 1.217 36 residues pruned to eliminate duplicates Z: 14 10.073 1.886 0.466 0.341 0.923 0.769 CB 1.300 Z: 21 36.341 2.217 0.837 0.946 1.000 0.700 CB 1.381 21 residues pruned to eliminate duplicates Z: 35 17.016 2.028 0.633 0.314 0.853 0.471 CB 1.270 35 residues pruned to eliminate duplicates Z: 29 25.748 1.981 0.768 0.608 0.893 0.607 CB 1.405 29 residues pruned to eliminate duplicates Z: 23 20.667 2.108 0.670 0.448 0.864 0.455 CA 1.528 23 residues pruned to eliminate duplicates Z: 10 14.279 2.009 0.714 0.490 1.000 0.778 CB 1.396 10 residues pruned to eliminate duplicates Z: 20 49.217 2.244 1.209 0.913 1.000 0.526 CA 1.613 20 residues pruned to eliminate duplicates Z: 20 29.823 2.046 0.731 0.920 0.947 0.737 CB 1.436 20 residues pruned to eliminate duplicates Z: 29 29.742 2.057 0.601 0.739 1.000 0.750 CA 1.377 29 residues pruned to eliminate duplicates Z: 9 10.164 1.465 0.632 0.893 1.000 0.875 CA 1.079 Z: 13 5.410 1.701 0.230 0.453 0.667 0.583 CB 1.175 12 residues pruned to eliminate duplicates Z: 18 8.937 1.881 0.240 0.362 0.882 0.529 CB 1.221 14 residues pruned to eliminate duplicates Z: 35 18.948 1.926 0.506 0.491 0.941 0.588 CB 1.201 35 residues pruned to eliminate duplicates Z: 32 26.409 2.098 0.721 0.469 0.935 0.581 CB 1.450 42 residues pruned to eliminate duplicates Z: 59 23.345 2.044 0.583 0.370 0.793 0.552 CB 1.373 41 residues pruned to eliminate duplicates Z: 13 15.613 1.959 0.368 0.914 0.917 0.417 CB 1.298 13 residues pruned to eliminate duplicates Z: 15 13.417 1.823 0.624 0.470 0.857 0.786 CB 1.457 15 residues pruned to eliminate duplicates Z: 21 31.891 2.072 0.735 0.903 1.000 0.750 CB 1.414 21 residues pruned to eliminate duplicates Z: 11 12.763 1.611 0.621 0.819 1.000 0.700 CA 1.172 20 residues pruned to eliminate duplicates Z: 22 26.235 2.059 0.661 0.676 0.952 0.810 CB 1.494 22 residues pruned to eliminate duplicates Z: 8 7.722 1.806 0.605 0.495 0.857 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 31 16.809 1.882 0.548 0.467 0.933 0.667 CB 1.167 32 residues pruned to eliminate duplicates Z: 18 10.038 1.793 0.472 0.443 0.941 0.529 CB 1.039 13 residues pruned to eliminate duplicates Z: 18 20.607 2.077 0.819 0.561 0.941 0.471 CB 1.326 15 residues pruned to eliminate duplicates Z: 8 4.553 1.630 0.057 0.541 0.714 0.714 C 1.342 8 residues pruned to eliminate duplicates Z: 21 36.815 2.143 0.983 0.929 0.950 0.450 CB 1.427 22 residues pruned to eliminate duplicates Z: 33 21.464 2.036 0.514 0.462 0.938 0.812 CB 1.364 33 residues pruned to eliminate duplicates Z: 21 40.521 2.223 0.820 0.906 1.000 0.800 CB 1.593 21 residues pruned to eliminate duplicates Z: 13 9.915 1.639 0.497 0.590 1.000 0.667 CA 1.070 Z: 33 12.867 1.888 0.531 0.339 0.812 0.500 CB 1.154 33 residues pruned to eliminate duplicates Z: 9 7.483 1.988 0.527 0.275 0.750 0.500 CA 1.499 6 residues pruned to eliminate duplicates Z: 9 14.884 1.891 0.649 0.871 1.000 0.750 CA 1.231 9 residues pruned to eliminate duplicates Z: 32 11.216 1.806 0.415 0.318 0.839 0.516 CB 1.148 32 residues pruned to eliminate duplicates Z: 80 47.547 2.121 0.713 0.602 0.937 0.595 CB 1.426 85 residues pruned to eliminate duplicates Z: 16 18.515 1.919 0.758 0.650 0.933 0.600 CA 1.320 16 residues pruned to eliminate duplicates Z: 7 6.609 1.650 0.509 0.470 0.833 0.500 N 1.340 7 residues pruned to eliminate duplicates Z: 10 6.666 1.841 0.566 0.492 1.000 0.778 CB 0.777 8 residues pruned to eliminate duplicates Z: 26 23.509 1.862 0.906 0.608 0.920 0.600 CA 1.299 26 residues pruned to eliminate duplicates Z: 13 13.908 2.104 0.773 0.331 0.833 0.583 CB 1.553 13 residues pruned to eliminate duplicates Z: 21 47.873 2.275 0.986 0.937 1.000 0.700 CB 1.648 21 residues pruned to eliminate duplicates Z: 10 10.983 2.090 0.178 0.915 1.000 1.000 CB 1.051 10 residues pruned to eliminate duplicates Z: 21 9.344 1.805 0.269 0.392 0.900 0.450 CB 1.136 8 residues pruned to eliminate duplicates Z: 34 15.361 2.140 0.404 0.316 0.818 0.515 CB 1.334 34 residues pruned to eliminate duplicates Z: 17 12.532 1.830 0.749 0.453 0.812 0.562 CB 1.263 17 residues pruned to eliminate duplicates Z: 20 11.590 1.889 0.485 0.424 0.895 0.579 CB 1.147 20 residues pruned to eliminate duplicates 6 1.376 1.447 0.182 0.423 0.600 0.400 CB 0.650 ? Z: 21 13.470 1.894 0.512 0.518 0.950 0.650 CB 1.087 20 residues pruned to eliminate duplicates Z: 21 35.675 2.050 0.736 0.925 1.000 0.950 CA 1.573 21 residues pruned to eliminate duplicates Z: 6 6.574 1.508 0.427 0.786 1.000 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 19 17.962 1.836 0.858 0.448 0.944 0.611 CA 1.387 15 residues pruned to eliminate duplicates Z: 21 30.263 2.004 0.728 0.927 0.950 0.550 CA 1.441 21 residues pruned to eliminate duplicates Z: 29 14.702 1.893 0.360 0.396 0.964 0.500 CB 1.249 29 residues pruned to eliminate duplicates Z: 19 15.235 2.066 0.537 0.388 0.889 0.667 CA 1.433 19 residues pruned to eliminate duplicates Z: 36 16.333 2.084 0.460 0.294 0.771 0.457 CB 1.481 36 residues pruned to eliminate duplicates Z: 37 18.744 1.919 0.699 0.384 0.778 0.389 CA 1.394 37 residues pruned to eliminate duplicates Z: 21 7.565 1.650 0.277 0.379 0.800 0.450 CA 1.142 13 residues pruned to eliminate duplicates Z: 19 12.477 1.882 0.414 0.321 0.889 0.556 CB 1.514 19 residues pruned to eliminate duplicates Z: 19 7.666 1.799 0.406 0.379 0.722 0.389 CB 1.126 19 residues pruned to eliminate duplicates Z: 10 8.361 1.801 0.701 0.488 1.000 0.444 CB 0.921 10 residues pruned to eliminate duplicates Z: 70 39.403 2.042 0.651 0.551 0.899 0.580 CA 1.490 70 residues pruned to eliminate duplicates Z: 7 7.463 1.921 0.613 0.605 0.833 0.667 CA 1.068 7 residues pruned to eliminate duplicates Z: 14 7.099 1.900 0.240 0.317 0.846 0.462 CB 1.208 14 residues pruned to eliminate duplicates Z: 10 7.395 1.843 0.668 0.508 0.889 0.556 CB 0.895 Z: 15 11.176 1.835 0.567 0.529 1.000 0.571 CB 1.009 15 residues pruned to eliminate duplicates Z: 14 8.875 1.837 0.689 0.348 0.846 0.538 CB 1.106 14 residues pruned to eliminate duplicates Z: 32 20.345 1.995 0.525 0.422 0.871 0.516 CA 1.497 32 residues pruned to eliminate duplicates Z: 20 36.126 2.231 0.928 0.917 1.000 0.579 CB 1.359 20 residues pruned to eliminate duplicates Z: 8 6.362 1.782 0.209 0.524 1.000 0.714 CB 1.090 6 residues pruned to eliminate duplicates Z: 6 5.134 1.436 0.849 0.673 0.800 0.400 CA 0.922 Z: 11 11.720 1.998 0.669 0.885 0.900 0.700 CB 0.892 11 residues pruned to eliminate duplicates Z: 33 25.310 1.972 0.924 0.445 0.875 0.562 CB 1.426 33 residues pruned to eliminate duplicates Z: 11 8.696 1.693 0.909 0.414 0.800 0.700 CB 1.164 8 residues pruned to eliminate duplicates Z: 6 5.598 1.969 0.426 0.653 0.800 0.800 CB 0.967 6 residues pruned to eliminate duplicates Z: 19 8.605 1.845 0.395 0.302 0.833 0.556 CA 1.178 19 residues pruned to eliminate duplicates Z: 14 10.403 1.868 0.433 0.454 0.846 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 21 13.424 1.927 0.503 0.385 0.850 0.600 CB 1.379 12 residues pruned to eliminate duplicates Z: 7 2.808 1.409 0.446 0.223 0.833 0.500 N 0.933 Z: 54 20.094 1.945 0.462 0.369 0.868 0.623 CB 1.287 54 residues pruned to eliminate duplicates Z: 28 10.520 1.862 0.183 0.415 0.889 0.556 CB 1.130 28 residues pruned to eliminate duplicates Z: 28 16.031 1.898 0.415 0.432 0.963 0.704 CB 1.281 28 residues pruned to eliminate duplicates Z: 9 13.040 1.837 0.285 0.895 1.000 0.625 CB 1.401 8 residues pruned to eliminate duplicates Z: 7 12.540 1.973 0.443 0.821 1.000 0.833 CA 1.361 8 residues pruned to eliminate duplicates Z: 28 26.757 2.033 0.434 0.765 1.000 0.741 CA 1.397 28 residues pruned to eliminate duplicates Z: 7 3.052 1.569 0.279 0.509 0.667 0.500 CB 0.923 7 residues pruned to eliminate duplicates Z: 26 22.084 1.983 0.789 0.430 0.920 0.520 CA 1.455 26 residues pruned to eliminate duplicates Z: 9 7.243 1.784 0.481 0.658 0.875 0.750 CA 0.957 8 residues pruned to eliminate duplicates Z: 8 7.058 1.607 0.598 0.514 0.857 0.571 CB 1.195 8 residues pruned to eliminate duplicates Z: 12 9.457 1.632 0.690 0.546 0.909 0.545 CA 1.087 10 residues pruned to eliminate duplicates Z: 16 19.268 1.935 0.850 0.560 0.933 0.600 CB 1.404 16 residues pruned to eliminate duplicates Z: 52 17.118 1.890 0.253 0.446 0.824 0.471 CB 1.300 52 residues pruned to eliminate duplicates Z: 10 6.375 1.929 0.488 0.372 0.667 0.444 CA 1.273 9 residues pruned to eliminate duplicates Z: 17 11.519 1.717 0.778 0.463 0.938 0.625 CB 1.045 Z: 21 40.346 2.156 0.938 0.934 1.000 0.550 CB 1.506 20 residues pruned to eliminate duplicates Z: 30 13.222 1.892 0.429 0.350 0.931 0.379 CB 1.148 31 residues pruned to eliminate duplicates Z: 18 15.196 1.971 0.552 0.455 0.882 0.706 CA 1.430 18 residues pruned to eliminate duplicates Z: 25 21.650 1.913 0.755 0.578 0.917 0.583 CB 1.333 25 residues pruned to eliminate duplicates Z: 9 5.993 1.603 0.904 0.378 0.875 0.500 N 0.904 Z: 15 7.800 1.582 0.785 0.503 0.857 0.571 CB 0.859 15 residues pruned to eliminate duplicates Z: 10 4.241 1.591 0.123 0.464 0.778 0.556 CB 1.055 Z: 14 8.404 1.880 0.282 0.499 0.769 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 19 12.800 2.019 0.458 0.410 0.833 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 22 23.765 2.117 0.335 0.858 0.952 0.810 CB 1.418 22 residues pruned to eliminate duplicates Z: 17 16.184 2.059 0.315 0.598 1.000 0.812 CB 1.361 17 residues pruned to eliminate duplicates Z: 10 9.149 1.685 0.216 0.764 1.000 0.556 CA 1.177 10 residues pruned to eliminate duplicates Z: 10 11.181 1.736 0.834 0.552 0.889 0.667 CB 1.251 10 residues pruned to eliminate duplicates Z: 11 9.487 1.895 0.555 0.484 1.000 0.800 CB 1.034 11 residues pruned to eliminate duplicates Z: 12 3.290 1.543 0.195 0.204 0.818 0.455 CB 0.934 10 residues pruned to eliminate duplicates Z: 18 6.280 1.672 0.143 0.367 0.824 0.529 CB 1.116 Z: 7 3.056 1.589 0.374 0.429 0.667 0.500 CB 0.922 7 residues pruned to eliminate duplicates Z: 10 12.110 1.803 0.297 0.729 0.889 0.556 N 1.581 10 residues pruned to eliminate duplicates Z: 13 7.913 1.895 0.488 0.334 0.750 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 10 12.990 1.882 0.808 0.636 0.889 0.778 CA 1.259 12 residues pruned to eliminate duplicates Z: 46 22.094 1.931 0.395 0.509 0.911 0.600 CA 1.329 46 residues pruned to eliminate duplicates Z: 24 12.330 1.901 0.339 0.419 0.913 0.565 CB 1.204 24 residues pruned to eliminate duplicates Z: 12 5.208 1.635 0.307 0.401 0.818 0.364 CA 0.997 12 residues pruned to eliminate duplicates Z: 8 6.316 1.757 0.232 0.622 0.857 0.714 CB 1.146 8 residues pruned to eliminate duplicates Z: 23 14.043 1.816 0.532 0.441 0.955 0.636 CB 1.198 23 residues pruned to eliminate duplicates Z: 8 6.297 1.552 0.433 0.584 0.857 0.714 CB 1.151 7 residues pruned to eliminate duplicates Z: 19 5.640 1.793 0.213 0.322 0.722 0.500 CB 1.029 17 residues pruned to eliminate duplicates Z: 19 30.572 2.122 0.747 0.863 0.944 0.667 CB 1.510 19 residues pruned to eliminate duplicates Z: 10 4.835 1.583 0.548 0.624 0.889 0.889 N 0.658 Z: 8 10.352 1.878 1.154 0.574 0.857 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 21 38.248 2.039 1.007 0.921 1.000 0.850 CB 1.471 21 residues pruned to eliminate duplicates Z: 16 17.872 1.935 0.859 0.521 0.933 0.667 CB 1.346 16 residues pruned to eliminate duplicates Z: 10 13.118 1.777 0.350 0.743 1.000 0.556 CB 1.467 10 residues pruned to eliminate duplicates Z: 21 15.195 1.869 0.245 0.555 1.000 0.650 CB 1.385 23 residues pruned to eliminate duplicates Z: 7 8.444 2.015 -0.179 0.822 1.000 0.333 CB 1.577 7 residues pruned to eliminate duplicates Z: 10 10.828 1.775 0.312 0.780 0.889 0.556 CA 1.363 10 residues pruned to eliminate duplicates Z: 62 31.978 2.002 0.500 0.573 0.885 0.623 CB 1.435 62 residues pruned to eliminate duplicates Z: 6 7.823 1.641 0.537 0.839 1.000 0.800 CB 1.036 6 residues pruned to eliminate duplicates Z: 15 6.273 1.915 0.619 0.363 0.714 0.500 CB 0.877 7 residues pruned to eliminate duplicates Z: 20 39.705 2.095 0.923 0.931 1.000 0.684 CB 1.580 20 residues pruned to eliminate duplicates Z: 57 20.422 1.874 0.578 0.438 0.804 0.482 CB 1.225 57 residues pruned to eliminate duplicates Z: 12 16.215 2.004 0.746 0.594 1.000 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 7 6.517 1.862 0.604 0.583 0.667 0.500 N 1.234 7 residues pruned to eliminate duplicates Z: 10 16.117 1.826 0.752 0.848 1.000 0.889 CA 1.246 10 residues pruned to eliminate duplicates Z: 11 7.391 1.864 0.411 0.436 0.800 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 10 17.651 1.921 0.819 0.866 1.000 0.778 CA 1.233 10 residues pruned to eliminate duplicates Z: 33 15.103 1.843 0.381 0.417 0.906 0.594 CB 1.262 33 residues pruned to eliminate duplicates Z: 7 15.654 2.201 0.615 0.825 1.000 1.000 CA 1.357 7 residues pruned to eliminate duplicates Z: 66 39.317 2.076 0.711 0.498 0.923 0.615 CB 1.491 175 residues pruned to eliminate duplicates Z: 25 16.784 1.814 0.556 0.532 0.875 0.667 CB 1.344 32 residues pruned to eliminate duplicates Z: 14 7.393 1.755 0.387 0.368 0.846 0.538 CB 1.146 14 residues pruned to eliminate duplicates Z: 19 29.684 2.074 0.739 0.929 0.944 0.667 CA 1.438 19 residues pruned to eliminate duplicates Z: 8 8.816 1.980 0.520 0.522 0.714 0.714 CB 1.516 8 residues pruned to eliminate duplicates Z: 70 42.348 2.063 0.581 0.590 0.971 0.652 CA 1.478 70 residues pruned to eliminate duplicates Z: 31 40.394 2.183 0.820 0.748 1.000 0.733 CA 1.487 31 residues pruned to eliminate duplicates Z: 53 43.885 2.105 0.773 0.650 0.962 0.827 CA 1.475 53 residues pruned to eliminate duplicates Z: 9 13.507 1.860 0.688 0.646 1.000 0.875 CA 1.327 9 residues pruned to eliminate duplicates Z: 43 43.433 2.130 0.908 0.699 0.905 0.595 CA 1.521 43 residues pruned to eliminate duplicates Z: 21 23.963 1.956 0.776 0.904 0.850 0.650 CA 1.292 21 residues pruned to eliminate duplicates Z: 13 16.873 1.983 0.610 0.905 1.000 0.667 CB 1.086 13 residues pruned to eliminate duplicates Z: 38 14.010 2.006 0.487 0.349 0.730 0.568 CB 1.246 Z: 9 11.710 1.905 0.469 0.846 1.000 0.750 CA 1.100 9 residues pruned to eliminate duplicates Z: 27 17.543 2.016 0.546 0.359 0.885 0.538 CB 1.453 27 residues pruned to eliminate duplicates Z: 10 11.449 1.794 0.728 0.623 0.889 0.667 CB 1.233 8 residues pruned to eliminate duplicates Z: 33 11.602 1.769 0.347 0.352 0.906 0.438 CB 1.115 33 residues pruned to eliminate duplicates Z: 53 39.780 2.148 0.710 0.519 0.904 0.654 CB 1.631 53 residues pruned to eliminate duplicates Z: 7 2.543 1.764 -0.196 0.609 0.833 0.667 CB 0.792 Z: 7 8.081 1.782 0.805 0.536 0.667 0.667 CA 1.485 7 residues pruned to eliminate duplicates Z: 24 10.280 1.853 0.397 0.415 0.870 0.652 CB 1.041 24 residues pruned to eliminate duplicates Z: 21 21.503 2.033 0.548 0.647 0.950 0.750 CB 1.402 21 residues pruned to eliminate duplicates Z: 12 9.365 1.885 0.407 0.573 0.909 0.636 CA 1.091 12 residues pruned to eliminate duplicates Z: 7 5.602 1.759 0.364 0.689 0.833 0.667 CB 0.962 7 residues pruned to eliminate duplicates Z: 21 33.505 2.015 0.818 0.910 1.000 0.800 CB 1.450 21 residues pruned to eliminate duplicates Z: 16 16.631 2.178 0.766 0.382 0.800 0.467 CB 1.582 16 residues pruned to eliminate duplicates Z: 18 13.460 1.807 0.643 0.510 1.000 0.765 CB 1.088 18 residues pruned to eliminate duplicates Z: 19 11.967 1.749 0.547 0.433 0.944 0.611 CB 1.183 19 residues pruned to eliminate duplicates Z: 6 6.770 1.931 0.176 0.590 1.000 0.800 CB 1.223 Z: 44 33.029 2.036 0.906 0.485 0.884 0.465 CB 1.491 82 residues pruned to eliminate duplicates Z: 64 27.259 1.937 0.687 0.466 0.905 0.571 CB 1.203 64 residues pruned to eliminate duplicates Z: 10 17.490 1.823 0.923 0.879 1.000 0.889 CA 1.206 10 residues pruned to eliminate duplicates Z: 6 6.512 1.781 -0.008 0.641 1.000 0.600 CB 1.446 Z: 10 12.061 2.078 0.841 0.437 0.778 0.667 CB 1.443 10 residues pruned to eliminate duplicates Z: 15 18.379 1.872 1.001 0.535 1.000 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 10 12.248 1.992 0.544 0.546 0.778 0.778 CB 1.631 10 residues pruned to eliminate duplicates Z: 9 3.576 1.708 0.674 0.374 0.625 0.625 CB 0.810 Z: 9 6.615 1.662 0.629 0.427 0.750 0.625 CA 1.242 9 residues pruned to eliminate duplicates Z: 9 14.087 1.942 0.358 0.788 1.000 0.875 CB 1.465 9 residues pruned to eliminate duplicates Z: 8 7.850 1.504 0.426 0.908 1.000 1.000 CA 0.983 6 residues pruned to eliminate duplicates Z: 7 13.073 1.739 1.461 0.885 1.000 1.000 CB 0.900 Z: 6 3.817 1.601 -0.066 0.658 1.000 0.800 CB 0.985 Z: 8 2.512 1.436 -0.065 0.511 0.857 0.571 CB 0.816 8 residues pruned to eliminate duplicates Z: 34 16.824 2.117 0.482 0.315 0.848 0.455 CB 1.350 Z: 9 4.147 1.621 0.497 0.514 0.750 0.625 CB 0.794 9 residues pruned to eliminate duplicates Z: 6 9.175 1.893 0.501 0.705 1.000 0.800 CA 1.199 6 residues pruned to eliminate duplicates Z: 17 15.239 1.875 0.847 0.385 0.875 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 20 26.738 2.037 0.506 0.874 1.000 0.789 CB 1.455 20 residues pruned to eliminate duplicates Z: 23 37.881 2.110 0.888 0.925 1.000 0.591 CB 1.423 22 residues pruned to eliminate duplicates Z: 13 11.027 1.960 0.729 0.408 0.917 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 11 6.819 1.736 0.327 0.426 0.800 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 19 38.000 2.129 0.955 0.923 1.000 0.833 CA 1.513 19 residues pruned to eliminate duplicates Z: 19 9.287 1.760 0.654 0.343 0.722 0.500 CB 1.234 19 residues pruned to eliminate duplicates Z: 16 9.513 1.777 0.664 0.431 0.667 0.600 CA 1.338 19 residues pruned to eliminate duplicates Z: 14 10.789 1.988 0.772 0.420 0.769 0.385 CB 1.200 15 residues pruned to eliminate duplicates Z: 7 4.378 1.722 0.107 0.345 0.833 0.500 CB 1.332 Z: 25 18.292 1.969 0.497 0.567 0.917 0.667 CB 1.295 25 residues pruned to eliminate duplicates Z: 20 36.800 2.224 0.924 0.912 1.000 0.526 CB 1.397 20 residues pruned to eliminate duplicates Z: 17 18.754 1.989 0.448 0.551 1.000 0.562 CA 1.549 17 residues pruned to eliminate duplicates Z: 34 23.951 2.025 0.767 0.404 0.879 0.455 CA 1.466 34 residues pruned to eliminate duplicates Z: 9 4.351 1.564 0.504 0.408 1.000 0.375 CB 0.720 Z: 14 7.448 1.938 0.287 0.445 0.769 0.385 CA 1.139 14 residues pruned to eliminate duplicates Z: 18 24.087 2.093 0.735 0.645 0.882 0.706 CA 1.593 18 residues pruned to eliminate duplicates Z: 6 7.923 1.801 0.400 0.562 1.000 0.600 N 1.323 7 residues pruned to eliminate duplicates Z: 8 7.720 1.662 0.377 0.520 1.000 0.714 CB 1.250 Z: 6 4.286 1.696 0.706 0.475 0.600 0.600 CB 1.132 Z: 14 14.737 2.062 0.916 0.419 0.769 0.538 CB 1.464 15 residues pruned to eliminate duplicates Z: 10 11.964 1.708 0.179 0.842 1.000 0.444 N 1.474 10 residues pruned to eliminate duplicates 6 1.487 1.450 0.294 0.289 0.600 0.600 CB 0.749 ? Z: 7 5.320 1.679 0.317 0.558 0.833 0.667 CA 1.114 5 residues pruned to eliminate duplicates Z: 26 13.395 2.018 0.302 0.469 0.800 0.520 CB 1.315 26 residues pruned to eliminate duplicates Z: 12 16.505 2.014 0.744 0.488 0.909 0.727 CB 1.577 12 residues pruned to eliminate duplicates Z: 10 10.598 1.909 0.364 0.613 0.889 0.889 CA 1.371 10 residues pruned to eliminate duplicates Z: 36 18.100 1.940 0.569 0.301 0.857 0.543 CB 1.464 28 residues pruned to eliminate duplicates Z: 11 11.368 1.913 0.448 0.501 0.900 0.700 CA 1.440 11 residues pruned to eliminate duplicates Z: 17 9.840 1.776 0.359 0.403 0.812 0.562 CB 1.389 17 residues pruned to eliminate duplicates Z: 7 2.539 1.813 0.962 0.257 0.500 0.333 CB 0.770 7 residues pruned to eliminate duplicates Z: 7 3.628 1.374 0.256 0.589 0.833 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 21 33.210 2.040 0.908 0.918 0.950 0.700 CA 1.416 21 residues pruned to eliminate duplicates Z: 16 18.490 1.940 0.655 0.719 0.933 0.733 CB 1.306 16 residues pruned to eliminate duplicates Z: 30 16.510 1.971 0.629 0.338 0.897 0.552 CB 1.271 30 residues pruned to eliminate duplicates Z: 7 7.057 1.832 0.844 0.431 0.833 0.667 CA 1.099 Z: 20 32.222 2.203 0.723 0.928 1.000 0.684 CB 1.363 20 residues pruned to eliminate duplicates Z: 11 11.712 1.609 0.764 0.580 0.900 0.700 CB 1.343 13 residues pruned to eliminate duplicates Z: 35 19.030 1.972 0.487 0.474 0.882 0.588 CB 1.295 35 residues pruned to eliminate duplicates Z: 7 4.072 1.601 0.535 0.642 0.833 0.167 CB 0.711 7 residues pruned to eliminate duplicates Z: 9 6.499 1.638 0.613 0.501 0.750 0.500 CB 1.159 Z: 51 34.549 1.960 0.660 0.664 0.960 0.620 CB 1.344 51 residues pruned to eliminate duplicates Z: 20 29.032 2.067 0.740 0.893 0.947 0.684 CB 1.403 20 residues pruned to eliminate duplicates Z: 6 8.834 1.691 0.713 0.717 0.800 0.600 CB 1.401 5 residues pruned to eliminate duplicates Z: 19 36.854 2.104 0.917 0.927 1.000 0.722 CB 1.509 19 residues pruned to eliminate duplicates Z: 12 8.220 1.641 0.735 0.400 0.909 0.545 CB 1.065 12 residues pruned to eliminate duplicates Z: 11 9.483 1.928 0.437 0.560 0.900 0.700 CB 1.134 11 residues pruned to eliminate duplicates Z: 11 9.581 1.982 0.551 0.529 0.800 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 6.978 1.495 0.711 0.428 0.889 0.667 CB 1.103 Z: 15 16.626 2.065 0.539 0.504 0.929 0.643 CA 1.500 15 residues pruned to eliminate duplicates Z: 9 8.133 1.740 0.635 0.557 0.875 0.625 CB 1.093 Z: 7 2.519 1.275 0.525 0.255 0.833 0.500 CA 0.842 Z: 35 15.662 2.111 0.465 0.310 0.765 0.441 CB 1.402 29 residues pruned to eliminate duplicates Z: 17 12.077 1.763 0.667 0.428 1.000 0.750 CB 1.107 Z: 20 15.497 1.862 0.563 0.511 1.000 0.684 CB 1.209 20 residues pruned to eliminate duplicates Z: 6 3.473 1.488 0.272 0.613 0.800 0.800 CB 0.922 6 residues pruned to eliminate duplicates Z: 8 11.794 1.859 0.620 0.641 0.857 0.714 CB 1.513 10 residues pruned to eliminate duplicates Z: 8 4.385 1.688 0.201 0.317 0.857 0.571 CB 1.168 8 residues pruned to eliminate duplicates Z: 13 8.420 1.929 0.515 0.350 0.917 0.750 CB 1.067 20 residues pruned to eliminate duplicates Z: 23 38.554 2.120 0.842 0.932 1.000 0.545 CB 1.471 23 residues pruned to eliminate duplicates Z: 6 14.672 2.232 1.216 0.574 1.000 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 13 6.912 1.848 0.318 0.356 0.833 0.417 CB 1.149 13 residues pruned to eliminate duplicates Z: 8 16.303 1.985 0.582 0.895 1.000 0.857 CB 1.407 8 residues pruned to eliminate duplicates Z: 13 10.911 1.803 0.467 0.432 1.000 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 6 2.430 1.594 0.159 0.264 0.600 0.400 C 1.283 6 residues pruned to eliminate duplicates Z: 6 2.030 1.176 0.160 0.551 0.800 0.400 C 0.792 Z: 15 9.287 1.743 0.670 0.355 0.857 0.571 CA 1.163 9 residues pruned to eliminate duplicates Z: 6 4.445 1.601 0.201 0.696 1.000 0.600 CB 0.864 Z: 9 4.361 1.468 0.545 0.414 0.750 0.500 CA 0.991 Z: 8 7.129 1.906 0.672 0.440 0.857 0.714 CB 1.050 Z: 8 8.098 1.756 0.520 0.536 0.857 0.429 CB 1.291 8 residues pruned to eliminate duplicates Z: 14 13.595 1.723 0.823 0.530 0.923 0.615 CB 1.262 14 residues pruned to eliminate duplicates Z: 7 2.153 1.488 -0.321 0.511 0.833 0.667 CB 1.032 Z: 20 53.148 2.294 1.173 0.943 1.000 0.737 CB 1.695 20 residues pruned to eliminate duplicates Z: 20 14.797 1.954 0.634 0.376 0.895 0.526 CA 1.357 20 residues pruned to eliminate duplicates Z: 7 3.786 1.763 -0.359 0.622 1.000 1.000 CB 1.219 Z: 11 9.888 1.769 0.294 0.792 1.000 0.700 CB 1.057 8 residues pruned to eliminate duplicates Z: 8 7.375 1.638 0.981 0.435 0.714 0.714 CA 1.286 8 residues pruned to eliminate duplicates Z: 15 10.906 1.632 0.486 0.551 1.000 0.857 CA 1.144 14 residues pruned to eliminate duplicates Z: 9 3.104 1.564 0.164 0.256 0.625 0.500 CB 1.277 9 residues pruned to eliminate duplicates Z: 9 7.925 1.782 0.286 0.535 0.875 0.750 CB 1.349 7 residues pruned to eliminate duplicates Z: 46 36.938 1.983 0.860 0.624 0.956 0.756 CB 1.390 45 residues pruned to eliminate duplicates Z: 17 7.905 1.931 0.727 0.334 0.750 0.562 CB 0.948 7 residues pruned to eliminate duplicates Z: 25 12.731 1.917 0.468 0.417 0.917 0.542 CB 1.100 25 residues pruned to eliminate duplicates Z: 21 15.613 1.961 0.490 0.535 0.950 0.750 CB 1.215 20 residues pruned to eliminate duplicates Z: 36 34.200 1.959 0.803 0.649 1.000 0.800 CA 1.425 36 residues pruned to eliminate duplicates Z: 19 10.689 1.915 0.321 0.341 0.889 0.611 CB 1.332 19 residues pruned to eliminate duplicates Z: 14 4.945 1.582 0.327 0.272 0.846 0.308 CB 1.000 14 residues pruned to eliminate duplicates Z: 10 8.980 1.692 0.645 0.555 0.889 0.778 CB 1.146 10 residues pruned to eliminate duplicates Z: 41 30.235 1.950 0.631 0.653 0.975 0.625 CA 1.338 41 residues pruned to eliminate duplicates Z: 20 31.660 2.123 0.606 0.895 1.000 0.895 CB 1.528 20 residues pruned to eliminate duplicates Z: 27 36.321 2.098 0.774 0.708 0.962 0.692 CB 1.647 27 residues pruned to eliminate duplicates Z: 10 9.902 1.561 0.508 0.869 1.000 0.889 CA 1.024 10 residues pruned to eliminate duplicates Z: 36 18.608 1.920 0.398 0.477 0.943 0.543 CB 1.273 36 residues pruned to eliminate duplicates Z: 14 11.721 1.941 0.685 0.348 0.923 0.615 CA 1.270 15 residues pruned to eliminate duplicates Z: 57 23.460 2.006 0.560 0.444 0.857 0.607 CB 1.238 57 residues pruned to eliminate duplicates Z: 7 5.165 1.587 0.304 0.434 0.833 0.500 N 1.308 7 residues pruned to eliminate duplicates Z: 15 8.635 1.892 0.618 0.301 0.786 0.429 CA 1.197 15 residues pruned to eliminate duplicates Z: 19 7.447 1.644 0.583 0.374 0.722 0.444 CB 1.068 16 residues pruned to eliminate duplicates Z: 20 23.599 2.141 0.772 0.902 0.842 0.368 CB 1.208 20 residues pruned to eliminate duplicates Z: 7 2.748 1.416 0.231 0.382 0.667 0.500 CA 1.094 Z: 33 20.893 2.012 0.535 0.451 0.938 0.500 CB 1.341 33 residues pruned to eliminate duplicates Z: 12 14.993 1.980 0.909 0.630 0.818 0.727 CB 1.293 12 residues pruned to eliminate duplicates Z: 28 19.061 2.086 0.472 0.333 0.926 0.519 CB 1.550 28 residues pruned to eliminate duplicates Z: 25 9.392 1.875 0.404 0.334 0.875 0.458 CB 0.999 25 residues pruned to eliminate duplicates Z: 14 5.488 1.718 0.230 0.343 0.769 0.538 CB 1.110 14 residues pruned to eliminate duplicates Z: 8 4.630 1.736 -0.046 0.615 0.857 0.571 CB 1.105 8 residues pruned to eliminate duplicates Z: 13 7.790 1.713 0.535 0.422 0.833 0.500 CB 1.113 13 residues pruned to eliminate duplicates Z: 34 29.721 1.959 0.621 0.691 0.970 0.697 CA 1.411 34 residues pruned to eliminate duplicates Z: 9 5.898 1.860 0.642 0.527 0.750 0.500 CB 0.887 9 residues pruned to eliminate duplicates Z: 8 9.563 1.769 0.747 0.629 0.857 0.429 CB 1.208 8 residues pruned to eliminate duplicates Z: 6 3.702 1.297 0.608 0.808 0.800 0.800 CA 0.759 6 residues pruned to eliminate duplicates Z: 6 10.571 1.980 0.469 0.866 1.000 0.400 CA 1.190 6 residues pruned to eliminate duplicates Z: 6 6.337 1.629 0.411 0.661 1.000 0.600 CA 1.061 6 residues pruned to eliminate duplicates Z: 52 27.720 2.066 0.594 0.369 0.922 0.529 CB 1.472 51 residues pruned to eliminate duplicates Z: 8 3.961 1.609 0.786 0.228 0.714 0.429 N 1.002 Z: 8 7.939 1.713 0.605 0.678 0.857 0.857 CA 1.081 8 residues pruned to eliminate duplicates Z: 6 8.314 1.683 1.031 0.599 1.000 0.600 CB 0.990 Z: 40 24.758 1.971 0.702 0.375 0.923 0.538 CA 1.462 40 residues pruned to eliminate duplicates Z: 33 17.017 1.889 0.627 0.460 0.875 0.594 CB 1.165 33 residues pruned to eliminate duplicates Z: 22 20.759 1.979 0.708 0.435 0.952 0.571 CA 1.504 22 residues pruned to eliminate duplicates Z: 9 2.414 1.446 0.030 0.327 0.750 0.500 CB 0.924 7 residues pruned to eliminate duplicates Z: 6 5.627 1.862 0.372 0.355 1.000 0.600 CA 1.153 6 residues pruned to eliminate duplicates Z: 7 5.089 1.737 0.137 0.692 0.833 0.833 C 1.059 Z: 9 7.421 1.746 0.586 0.429 1.000 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 11 12.656 1.962 0.788 0.433 0.800 0.500 CA 1.529 11 residues pruned to eliminate duplicates Z: 8 2.640 1.556 0.424 0.308 0.571 0.429 CB 0.975 Z: 7 6.090 1.687 0.309 0.606 0.833 0.667 CB 1.221 6 residues pruned to eliminate duplicates Z: 33 15.340 1.913 0.575 0.376 0.906 0.625 CB 1.133 33 residues pruned to eliminate duplicates Z: 8 7.997 1.502 0.531 0.876 1.000 0.714 CA 0.955 8 residues pruned to eliminate duplicates Z: 16 8.234 1.872 0.220 0.476 0.867 0.533 CB 1.101 16 residues pruned to eliminate duplicates Z: 32 34.912 2.022 0.799 0.711 1.000 0.839 CB 1.423 32 residues pruned to eliminate duplicates Z: 25 22.019 2.133 0.828 0.393 0.833 0.542 CB 1.549 25 residues pruned to eliminate duplicates Z: 17 14.020 1.796 0.765 0.508 0.938 0.625 CB 1.171 17 residues pruned to eliminate duplicates Z: 21 5.852 1.506 0.333 0.311 0.850 0.400 CB 0.946 27 residues pruned to eliminate duplicates Z: 8 6.160 1.701 0.000 0.565 1.000 0.429 C 1.285 6 residues pruned to eliminate duplicates Z: 7 5.812 1.508 0.648 0.473 0.833 0.333 C 1.178 Z: 20 14.563 1.828 0.545 0.482 1.000 0.632 CB 1.205 20 residues pruned to eliminate duplicates Z: 6 4.438 1.640 0.087 0.485 1.000 0.600 CA 1.131 Z: 23 23.742 2.068 0.816 0.593 0.955 0.409 CB 1.292 23 residues pruned to eliminate duplicates Z: 11 8.726 1.830 0.492 0.553 0.800 0.500 CB 1.200 11 residues pruned to eliminate duplicates Z: 23 13.247 1.993 0.323 0.365 0.955 0.500 CB 1.297 23 residues pruned to eliminate duplicates Z: 12 16.978 2.049 0.443 0.803 1.000 0.818 CA 1.329 12 residues pruned to eliminate duplicates Z: 8 11.974 2.019 0.273 0.745 1.000 0.714 CA 1.414 8 residues pruned to eliminate duplicates Z: 15 24.580 2.013 0.943 0.657 1.000 0.571 CA 1.452 15 residues pruned to eliminate duplicates Z: 21 40.556 2.142 0.971 0.922 1.000 0.850 CB 1.510 21 residues pruned to eliminate duplicates Z: 8 4.178 1.363 0.448 0.451 0.857 0.429 CA 0.981 Z: 9 10.086 1.978 0.606 0.839 1.000 0.750 CB 0.838 9 residues pruned to eliminate duplicates Z: 8 5.476 1.540 0.442 0.489 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 8 3.818 1.601 0.266 0.393 0.714 0.429 CB 1.117 Z: 16 7.934 1.730 0.514 0.337 0.800 0.333 CB 1.168 16 residues pruned to eliminate duplicates Z: 41 43.812 2.184 0.740 0.757 0.975 0.850 CA 1.487 41 residues pruned to eliminate duplicates Z: 18 20.147 1.889 0.829 0.855 0.824 0.529 CB 1.267 19 residues pruned to eliminate duplicates Z: 12 7.033 1.766 0.383 0.375 0.818 0.455 CB 1.213 12 residues pruned to eliminate duplicates Z: 49 20.463 2.042 0.541 0.363 0.812 0.396 CB 1.338 44 residues pruned to eliminate duplicates Z: 10 6.863 1.724 0.353 0.492 0.889 0.667 CB 1.113 10 residues pruned to eliminate duplicates Z: 10 12.234 1.913 0.609 0.449 0.889 0.444 CA 1.570 10 residues pruned to eliminate duplicates Z: 17 14.529 1.853 0.888 0.426 0.875 0.562 CB 1.281 17 residues pruned to eliminate duplicates Z: 23 21.916 2.019 0.604 0.759 0.818 0.727 CB 1.401 23 residues pruned to eliminate duplicates Z: 33 19.994 2.040 0.625 0.360 0.875 0.562 CB 1.416 36 residues pruned to eliminate duplicates Z: 7 8.658 1.627 0.321 0.694 1.000 0.833 CA 1.378 8 residues pruned to eliminate duplicates Z: 7 2.280 1.621 0.229 0.121 0.667 0.333 CA 1.128 Z: 8 4.298 1.874 0.069 0.429 0.714 0.286 CB 1.222 Z: 49 17.509 2.042 0.501 0.326 0.812 0.562 CB 1.228 49 residues pruned to eliminate duplicates Z: 9 6.948 1.920 0.409 0.371 0.750 0.500 N 1.390 Z: 7 8.624 1.506 0.701 0.862 1.000 0.333 CB 1.009 Z: 7 7.593 1.597 1.103 0.365 0.833 0.500 N 1.281 7 residues pruned to eliminate duplicates Z: 11 9.048 1.623 0.280 0.566 1.000 0.800 C 1.292 11 residues pruned to eliminate duplicates Z: 33 30.844 2.088 0.573 0.678 1.000 0.719 CA 1.409 33 residues pruned to eliminate duplicates Z: 32 15.074 1.967 0.541 0.386 0.806 0.452 CB 1.250 32 residues pruned to eliminate duplicates Z: 15 4.582 1.758 0.337 0.273 0.643 0.500 CB 1.049 15 residues pruned to eliminate duplicates Z: 19 19.205 2.003 0.495 0.636 0.889 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 12 7.481 1.647 1.152 0.445 0.818 0.636 CB 0.823 Z: 9 7.887 1.656 0.613 0.713 1.000 0.750 CB 0.861 Z: 6 3.897 1.593 0.362 0.637 1.000 0.800 CB 0.707 7 residues pruned to eliminate duplicates Z: 35 15.307 2.067 0.577 0.338 0.794 0.500 CB 1.211 35 residues pruned to eliminate duplicates Z: 6 4.121 1.677 0.692 0.299 0.600 0.600 CB 1.354 Z: 24 15.012 1.921 0.544 0.414 0.913 0.609 CB 1.265 24 residues pruned to eliminate duplicates Z: 7 4.407 1.406 0.304 0.526 0.833 0.500 C 1.148 7 residues pruned to eliminate duplicates Z: 6 3.202 1.321 0.131 0.601 1.000 0.800 CB 0.871 Z: 22 19.614 1.949 0.619 0.587 0.952 0.571 CB 1.311 22 residues pruned to eliminate duplicates Z: 8 5.888 1.647 0.233 0.611 0.857 0.857 CA 1.150 8 residues pruned to eliminate duplicates Z: 16 10.032 1.740 0.585 0.477 1.000 0.667 CB 0.961 16 residues pruned to eliminate duplicates Z: 16 22.786 2.111 0.419 0.925 1.000 0.933 CB 1.379 16 residues pruned to eliminate duplicates Z: 6 8.250 1.454 1.261 0.576 1.000 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 23 13.685 1.827 0.694 0.466 0.864 0.636 CB 1.129 22 residues pruned to eliminate duplicates Z: 9 12.461 1.724 0.681 0.787 1.000 0.625 CB 1.181 9 residues pruned to eliminate duplicates Z: 42 23.065 1.996 0.641 0.466 0.878 0.537 CB 1.297 42 residues pruned to eliminate duplicates Z: 9 4.483 1.602 0.037 0.421 0.875 0.500 CA 1.185 9 residues pruned to eliminate duplicates Z: 21 25.882 2.077 0.479 0.862 1.000 0.900 CB 1.384 21 residues pruned to eliminate duplicates Z: 66 39.704 1.947 0.811 0.582 0.923 0.569 CB 1.398 50 residues pruned to eliminate duplicates Z: 9 11.800 1.955 0.720 0.667 0.875 0.750 CA 1.215 9 residues pruned to eliminate duplicates Z: 7 3.745 1.773 -0.074 0.503 0.833 0.500 C 1.115 8 residues pruned to eliminate duplicates Z: 21 27.692 2.097 0.601 0.873 1.000 0.850 CB 1.343 21 residues pruned to eliminate duplicates Z: 13 6.619 1.899 0.236 0.295 0.750 0.583 CB 1.365 13 residues pruned to eliminate duplicates Z: 11 9.249 1.820 0.408 0.514 0.900 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 17 9.715 1.884 0.375 0.360 0.938 0.250 CB 1.163 17 residues pruned to eliminate duplicates Z: 26 14.361 1.893 0.455 0.439 0.880 0.800 CB 1.261 26 residues pruned to eliminate duplicates Z: 6 5.055 1.316 0.403 0.761 1.000 0.600 N 0.970 Z: 11 7.811 1.649 0.382 0.479 1.000 0.600 CB 1.108 11 residues pruned to eliminate duplicates Z: 17 11.029 1.829 0.534 0.400 0.812 0.500 CA 1.344 17 residues pruned to eliminate duplicates Z: 22 44.225 2.211 0.955 0.902 1.000 0.952 CA 1.592 22 residues pruned to eliminate duplicates Z: 6 2.961 1.747 0.416 0.297 0.600 0.600 CB 1.118 Z: 8 3.004 1.481 0.018 0.437 0.714 0.429 CA 1.125 Z: 8 3.466 1.672 0.376 0.343 0.714 0.429 CA 0.946 8 residues pruned to eliminate duplicates Z: 10 5.567 1.564 0.504 0.435 0.778 0.667 N 1.084 Z: 18 34.087 2.101 0.939 0.931 0.941 0.706 CA 1.507 18 residues pruned to eliminate duplicates Z: 19 24.239 2.002 0.573 0.895 1.000 0.889 CA 1.300 19 residues pruned to eliminate duplicates Z: 7 2.222 1.378 0.257 0.327 0.667 0.333 CB 0.950 Z: 7 5.097 1.656 0.461 0.394 0.833 0.667 CB 1.154 Z: 28 15.096 2.026 0.506 0.339 0.852 0.407 CB 1.333 23 residues pruned to eliminate duplicates Z: 24 22.681 1.943 0.601 0.642 0.913 0.739 CB 1.459 24 residues pruned to eliminate duplicates 6 1.988 1.119 0.717 0.491 0.800 0.800 O 0.584 ? Z: 19 5.467 1.550 0.349 0.466 0.722 0.389 CB 0.884 12 residues pruned to eliminate duplicates Z: 22 19.921 1.947 0.909 0.388 0.857 0.524 CB 1.536 22 residues pruned to eliminate duplicates Z: 12 8.617 1.677 0.736 0.409 0.818 0.455 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 2.968 1.393 0.177 0.405 0.800 0.600 N 1.118 Z: 18 11.635 1.779 0.835 0.409 0.824 0.647 CB 1.156 38 residues pruned to eliminate duplicates Z: 19 22.252 2.074 0.631 0.592 0.944 0.500 CA 1.504 17 residues pruned to eliminate duplicates Z: 10 6.982 1.783 0.372 0.472 0.778 0.444 CB 1.258 10 residues pruned to eliminate duplicates Z: 8 6.357 1.434 0.661 0.635 0.857 0.714 CA 1.037 Z: 8 8.019 1.803 0.366 0.590 1.000 0.857 CB 1.129 7 residues pruned to eliminate duplicates Z: 9 3.104 1.672 0.336 0.323 0.625 0.500 CB 0.956 Z: 6 5.370 1.655 0.320 0.503 0.800 0.400 CA 1.370 Z: 8 3.191 1.631 0.644 0.576 0.714 0.714 CB 0.586 8 residues pruned to eliminate duplicates Z: 18 6.217 1.640 0.283 0.268 0.765 0.529 CB 1.220 18 residues pruned to eliminate duplicates Z: 18 8.921 1.872 0.177 0.403 0.824 0.471 CB 1.320 18 residues pruned to eliminate duplicates Z: 24 12.315 1.910 0.341 0.449 0.826 0.565 CB 1.279 6 residues pruned to eliminate duplicates Z: 19 17.659 1.768 0.619 0.643 0.944 0.556 CA 1.347 19 residues pruned to eliminate duplicates Z: 30 14.757 1.909 0.498 0.396 0.862 0.448 CB 1.241 30 residues pruned to eliminate duplicates Z: 9 4.545 1.535 -0.149 0.641 1.000 0.500 CB 1.079 8 residues pruned to eliminate duplicates Z: 18 11.516 1.815 0.643 0.482 0.941 0.647 CB 1.013 18 residues pruned to eliminate duplicates Z: 19 17.944 2.019 0.421 0.558 0.944 0.611 CB 1.475 19 residues pruned to eliminate duplicates Z: 9 2.911 1.496 0.245 0.262 0.750 0.250 CB 0.966 6 1.689 1.416 0.358 0.330 0.400 0.400 O 1.184 ? Z: 44 24.189 2.076 0.569 0.498 0.884 0.512 CB 1.283 44 residues pruned to eliminate duplicates Z: 7 5.615 1.752 0.033 0.743 1.000 0.833 CB 1.019 7 residues pruned to eliminate duplicates Z: 11 15.881 2.128 0.277 0.884 1.000 0.900 CB 1.336 11 residues pruned to eliminate duplicates Z: 22 19.765 2.039 0.854 0.516 0.857 0.524 CB 1.311 22 residues pruned to eliminate duplicates Z: 15 6.894 1.764 0.309 0.368 0.857 0.500 CB 1.073 15 residues pruned to eliminate duplicates Z: 17 10.431 1.929 0.533 0.392 0.875 0.562 CB 1.130 17 residues pruned to eliminate duplicates Z: 40 37.194 2.119 0.837 0.616 0.923 0.513 CB 1.485 40 residues pruned to eliminate duplicates 6 1.805 1.326 0.275 0.469 0.800 0.800 CB 0.616 ? Z: 7 6.734 1.419 0.627 0.665 1.000 1.000 CB 1.022 7 residues pruned to eliminate duplicates Z: 19 12.514 1.900 0.590 0.394 0.889 0.611 CB 1.228 19 residues pruned to eliminate duplicates Z: 32 19.338 1.961 0.769 0.413 0.903 0.710 CB 1.215 32 residues pruned to eliminate duplicates Z: 11 3.652 1.414 0.030 0.502 0.900 0.700 CB 0.880 Z: 18 10.064 1.784 0.349 0.361 0.941 0.529 CA 1.251 18 residues pruned to eliminate duplicates 6 1.864 1.346 0.333 0.405 0.600 0.400 CA 0.855 ? Z: 15 5.616 1.753 0.208 0.309 0.786 0.357 CB 1.115 15 residues pruned to eliminate duplicates Z: 19 20.104 2.073 0.654 0.675 0.889 0.500 CA 1.324 19 residues pruned to eliminate duplicates Z: 9 2.999 1.258 0.518 0.290 0.875 0.375 C 0.803 9 residues pruned to eliminate duplicates Z: 9 4.160 1.849 0.200 0.062 0.875 0.375 CB 1.347 9 residues pruned to eliminate duplicates Z: 15 10.988 1.901 0.538 0.428 0.857 0.571 CB 1.263 16 residues pruned to eliminate duplicates Z: 11 14.879 2.263 0.763 0.344 0.900 0.700 CB 1.552 11 residues pruned to eliminate duplicates Z: 11 3.829 1.487 0.295 0.416 0.900 0.300 CB 0.762 Z: 11 3.240 1.452 0.202 0.318 0.800 0.500 CB 0.898 11 residues pruned to eliminate duplicates Z: 6 2.369 1.412 0.487 0.322 0.800 0.400 CB 0.767 Z: 10 7.862 1.768 0.339 0.661 0.889 0.778 CB 1.073 10 residues pruned to eliminate duplicates Z: 17 7.478 1.792 0.488 0.317 0.812 0.500 CB 1.057 17 residues pruned to eliminate duplicates Z: 9 8.806 1.818 0.428 0.473 1.000 0.625 CA 1.232 9 residues pruned to eliminate duplicates Z: 11 10.125 1.778 0.601 0.560 1.000 0.600 CB 1.062 11 residues pruned to eliminate duplicates Z: 6 3.839 1.349 0.854 0.468 0.800 0.600 CA 0.887 Z: 22 13.238 1.872 0.508 0.417 0.952 0.619 CB 1.171 22 residues pruned to eliminate duplicates Z: 21 40.661 2.247 0.841 0.931 1.000 0.850 CB 1.536 21 residues pruned to eliminate duplicates Z: 8 8.093 1.816 0.339 0.647 0.857 0.714 CB 1.280 9 residues pruned to eliminate duplicates Z: 6 3.285 1.459 0.945 0.482 1.000 0.800 N 0.527 Z: 9 4.732 1.387 0.377 0.580 0.875 0.625 N 0.927 Z: 11 4.278 1.502 0.066 0.409 0.900 0.700 C 1.032 6 residues pruned to eliminate duplicates Z: 19 8.447 1.768 0.259 0.412 0.889 0.556 CB 1.103 19 residues pruned to eliminate duplicates Z: 8 3.846 2.141 0.247 0.335 0.714 0.429 CB 0.914 29 residues pruned to eliminate duplicates Z: 6 2.495 1.439 -0.252 0.647 0.800 0.600 C 1.129 Z: 54 46.356 2.156 0.758 0.659 0.962 0.717 CA 1.507 54 residues pruned to eliminate duplicates Z: 9 5.413 1.732 0.544 0.321 0.750 0.375 CB 1.162 9 residues pruned to eliminate duplicates Z: 44 26.495 2.003 0.543 0.542 0.884 0.605 CB 1.420 43 residues pruned to eliminate duplicates Z: 20 39.484 2.097 0.927 0.950 1.000 1.000 CB 1.545 20 residues pruned to eliminate duplicates Z: 20 16.026 1.944 0.753 0.466 0.947 0.684 CA 1.179 20 residues pruned to eliminate duplicates Z: 17 16.800 2.142 0.725 0.463 0.875 0.375 CB 1.349 17 residues pruned to eliminate duplicates Z: 25 34.418 2.029 1.024 0.732 1.000 0.792 CA 1.389 25 residues pruned to eliminate duplicates Z: 6 6.510 1.736 0.916 0.450 0.800 0.400 CB 1.152 5 residues pruned to eliminate duplicates Z: 26 12.967 1.914 0.494 0.403 0.880 0.560 CB 1.142 26 residues pruned to eliminate duplicates Z: 6 2.844 1.480 0.015 0.692 1.000 0.600 CA 0.710 Z: 18 10.810 1.758 0.436 0.404 0.941 0.529 CB 1.221 18 residues pruned to eliminate duplicates Z: 19 17.056 2.084 0.713 0.375 0.944 0.389 CB 1.364 19 residues pruned to eliminate duplicates Z: 10 14.224 2.021 0.766 0.577 1.000 0.667 CA 1.233 10 residues pruned to eliminate duplicates 7 1.707 1.450 0.139 0.405 0.667 0.333 CB 0.699 ? Z: 9 10.325 1.511 0.523 0.816 1.000 0.750 CB 1.206 9 residues pruned to eliminate duplicates Z: 9 6.729 1.872 0.517 0.276 1.000 0.625 CA 1.080 9 residues pruned to eliminate duplicates Z: 27 12.472 1.813 0.540 0.294 0.885 0.500 CB 1.247 27 residues pruned to eliminate duplicates Z: 9 7.102 1.681 0.821 0.601 1.000 0.500 CB 0.745 9 residues pruned to eliminate duplicates Z: 9 10.027 1.854 0.655 0.637 1.000 0.750 CB 1.016 17 residues pruned to eliminate duplicates Z: 8 3.650 1.587 0.207 0.446 0.714 0.286 CB 1.066 4 residues pruned to eliminate duplicates Z: 11 6.177 1.521 0.872 0.502 0.800 0.700 CA 0.856 11 residues pruned to eliminate duplicates Z: 6 4.241 1.865 0.480 0.165 0.800 0.400 CA 1.293 6 residues pruned to eliminate duplicates Z: 6 3.535 1.474 0.338 0.514 1.000 0.400 CA 0.790 Z: 30 24.453 2.091 0.645 0.460 0.897 0.552 CA 1.534 30 residues pruned to eliminate duplicates Z: 7 3.910 1.720 0.237 0.459 0.667 0.333 CB 1.173 7 1.902 1.542 0.257 0.241 0.667 0.500 CA 0.811 ? Z: 6 3.941 1.457 0.245 0.787 1.000 0.800 CA 0.755 Z: 7 9.536 2.010 0.368 0.763 1.000 0.833 CA 1.121 5 residues pruned to eliminate duplicates Z: 30 11.384 1.816 0.370 0.443 0.828 0.448 CB 1.089 30 residues pruned to eliminate duplicates Z: 23 18.628 2.045 0.504 0.547 0.864 0.636 CA 1.428 23 residues pruned to eliminate duplicates Z: 6 7.753 1.587 0.426 0.792 1.000 0.400 CA 1.185 Z: 11 8.265 1.709 0.332 0.584 1.000 0.800 CA 1.059 11 residues pruned to eliminate duplicates Z: 6 5.380 1.585 0.421 0.740 1.000 0.600 CB 0.862 6 residues pruned to eliminate duplicates Z: 13 3.700 1.589 0.264 0.193 0.667 0.417 CB 1.152 13 residues pruned to eliminate duplicates Z: 7 2.782 1.619 -0.014 0.517 1.000 0.833 CB 0.700 Z: 30 12.532 1.839 0.312 0.425 0.931 0.552 CB 1.120 30 residues pruned to eliminate duplicates Z: 39 38.877 1.994 0.995 0.734 0.895 0.632 CB 1.436 39 residues pruned to eliminate duplicates Z: 21 10.583 1.841 0.392 0.396 0.900 0.700 CB 1.145 21 residues pruned to eliminate duplicates Z: 15 20.546 2.053 0.357 0.920 1.000 0.929 CA 1.389 15 residues pruned to eliminate duplicates Z: 13 6.572 1.600 0.616 0.368 0.667 0.333 CA 1.269 13 residues pruned to eliminate duplicates Z: 6 3.092 1.358 1.032 0.327 0.800 0.400 N 0.757 Z: 39 28.732 2.120 0.776 0.376 0.868 0.500 CA 1.626 39 residues pruned to eliminate duplicates Z: 10 2.993 1.300 0.312 0.374 0.778 0.444 CB 0.860 Z: 25 16.544 2.047 0.388 0.415 0.875 0.667 CB 1.485 25 residues pruned to eliminate duplicates Z: 9 5.720 1.718 0.331 0.510 0.875 0.625 CA 1.001 9 residues pruned to eliminate duplicates Z: 11 6.555 1.567 0.455 0.435 1.000 0.300 CB 0.972 10 residues pruned to eliminate duplicates Z: 7 2.197 1.666 -0.224 0.335 0.667 0.500 CB 1.246 Z: 7 6.211 1.552 0.455 0.768 0.833 0.333 CB 1.062 7 residues pruned to eliminate duplicates Z: 33 30.683 1.984 0.593 0.700 1.000 0.844 CB 1.429 33 residues pruned to eliminate duplicates Z: 35 24.128 2.063 0.831 0.357 0.853 0.529 CB 1.500 35 residues pruned to eliminate duplicates Z: 7 6.495 1.667 0.725 0.466 0.833 0.500 CA 1.146 7 residues pruned to eliminate duplicates Z: 7 3.343 1.379 0.161 0.380 1.000 0.500 N 0.968 Z: 8 4.065 1.431 0.489 0.359 0.857 0.571 CB 0.980 7 residues pruned to eliminate duplicates Z: 34 21.106 1.973 0.552 0.469 0.970 0.818 CB 1.276 34 residues pruned to eliminate duplicates Z: 29 29.355 2.103 0.290 0.818 1.000 0.929 CB 1.552 29 residues pruned to eliminate duplicates Z: 16 14.936 1.829 0.819 0.484 1.000 0.667 CA 1.178 Z: 6 2.801 1.335 0.126 0.436 0.800 0.600 CB 1.113 Z: 9 3.176 1.410 0.852 0.326 0.750 0.625 CB 0.694 9 residues pruned to eliminate duplicates Z: 8 7.012 1.690 0.312 0.641 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 10 5.119 1.701 0.787 0.326 0.778 0.333 CB 0.874 Z: 19 6.225 1.800 0.355 0.326 0.722 0.389 CB 1.009 19 residues pruned to eliminate duplicates Z: 14 10.205 1.733 0.339 0.669 0.923 0.846 CB 1.129 10 residues pruned to eliminate duplicates Z: 14 10.283 1.869 0.474 0.427 0.923 0.615 CB 1.210 13 residues pruned to eliminate duplicates 7 1.344 1.413 0.096 0.152 0.667 0.167 CB 0.815 ? Z: 32 25.767 2.024 0.926 0.446 0.871 0.516 CA 1.441 32 residues pruned to eliminate duplicates Z: 19 10.442 1.685 0.449 0.443 0.944 0.500 CB 1.131 18 residues pruned to eliminate duplicates Z: 26 17.924 1.901 0.778 0.496 0.840 0.560 CB 1.268 26 residues pruned to eliminate duplicates Z: 35 16.331 2.070 0.415 0.336 0.824 0.500 CB 1.389 35 residues pruned to eliminate duplicates Z: 13 11.240 1.799 0.436 0.608 0.917 0.750 CA 1.236 13 residues pruned to eliminate duplicates Z: 11 18.239 2.014 0.885 0.887 1.000 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 8 5.777 1.734 0.428 0.345 0.857 0.714 CA 1.218 8 residues pruned to eliminate duplicates Z: 6 3.451 1.471 0.781 0.568 0.600 0.600 CA 0.919 Z: 35 17.179 1.942 0.623 0.406 0.882 0.529 CB 1.170 35 residues pruned to eliminate duplicates Z: 21 8.009 1.845 0.291 0.249 0.750 0.500 CA 1.338 21 residues pruned to eliminate duplicates Z: 24 13.114 1.795 0.548 0.527 0.870 0.609 CB 1.101 24 residues pruned to eliminate duplicates Z: 17 11.228 2.091 0.100 0.393 0.938 0.625 CB 1.458 17 residues pruned to eliminate duplicates Z: 7 2.981 1.449 0.287 0.335 0.667 0.667 CB 1.172 Z: 7 2.877 1.528 0.253 0.352 0.833 0.833 CB 0.865 Z: 8 2.659 1.094 0.303 0.338 1.000 0.571 CB 0.842 Z: 19 17.859 1.801 0.822 0.592 1.000 0.500 CB 1.174 19 residues pruned to eliminate duplicates 6 1.905 1.414 0.670 0.193 0.800 0.400 CB 0.651 ? Z: 12 8.640 1.718 0.544 0.347 0.909 0.545 CA 1.276 10 residues pruned to eliminate duplicates Z: 9 10.151 1.809 0.964 0.388 0.875 0.625 CA 1.300 9 residues pruned to eliminate duplicates Z: 49 33.368 2.057 0.725 0.507 0.896 0.562 CB 1.505 49 residues pruned to eliminate duplicates Z: 7 2.182 1.457 -0.372 0.694 0.833 0.667 CB 0.978 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.257 1.714 1.122 0.326 0.600 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 25 7.307 1.751 0.316 0.273 0.792 0.417 CB 1.058 25 residues pruned to eliminate duplicates Z: 7 2.858 1.497 0.688 0.351 0.667 0.333 CB 0.814 7 residues pruned to eliminate duplicates Z: 16 10.451 2.011 0.846 0.340 0.800 0.467 CB 1.081 19 residues pruned to eliminate duplicates Z: 6 5.890 1.582 0.679 0.386 1.000 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 11 6.966 1.922 0.681 0.269 0.800 0.400 CB 1.109 9 residues pruned to eliminate duplicates Z: 9 3.190 1.491 0.481 0.523 0.750 0.750 CB 0.665 6 residues pruned to eliminate duplicates Z: 12 5.044 1.737 0.461 0.314 0.818 0.364 CB 0.900 12 residues pruned to eliminate duplicates Z: 12 9.772 1.671 0.352 0.603 1.000 0.818 CB 1.183 11 residues pruned to eliminate duplicates Z: 6 4.352 1.542 0.526 0.440 0.800 0.600 CA 1.101 6 residues pruned to eliminate duplicates Z: 15 11.359 1.589 0.584 0.564 0.929 0.571 CA 1.220 15 residues pruned to eliminate duplicates Z: 9 8.259 1.753 0.544 0.638 1.000 0.750 CA 0.948 9 residues pruned to eliminate duplicates Z: 11 7.169 1.765 0.351 0.544 0.900 0.700 CB 1.011 Z: 8 11.594 1.819 0.500 0.615 1.000 0.571 CA 1.440 11 residues pruned to eliminate duplicates Z: 7 10.013 1.909 0.421 0.699 0.833 0.667 CA 1.509 7 residues pruned to eliminate duplicates Z: 11 8.566 1.742 0.516 0.436 1.000 0.800 CB 1.095 24 residues pruned to eliminate duplicates Z: 9 4.734 1.735 0.353 0.283 0.750 0.375 CB 1.214 9 residues pruned to eliminate duplicates Z: 18 11.115 1.783 0.390 0.501 1.000 0.529 CB 1.087 18 residues pruned to eliminate duplicates Z: 14 7.486 1.761 0.203 0.307 1.000 0.385 CB 1.215 14 residues pruned to eliminate duplicates Z: 16 11.473 1.798 0.380 0.528 1.000 0.667 CB 1.161 16 residues pruned to eliminate duplicates Z: 13 9.278 1.804 0.508 0.436 0.917 0.417 CB 1.147 13 residues pruned to eliminate duplicates Z: 16 11.557 1.879 0.430 0.545 1.000 0.533 CB 1.063 16 residues pruned to eliminate duplicates Z: 7 4.610 1.537 0.425 0.541 0.833 0.333 CA 0.990 7 residues pruned to eliminate duplicates Z: 15 10.829 1.816 0.443 0.535 1.000 0.643 CB 1.067 15 residues pruned to eliminate duplicates Z: 16 11.202 1.896 0.471 0.518 0.933 0.600 CB 1.091 16 residues pruned to eliminate duplicates Z: 13 8.600 1.887 0.320 0.538 0.833 0.750 CB 1.153 13 residues pruned to eliminate duplicates Z: 17 11.765 1.906 0.440 0.500 0.938 0.625 CB 1.143 17 residues pruned to eliminate duplicates Z: 16 11.768 1.868 0.422 0.516 0.933 0.533 CB 1.206 16 residues pruned to eliminate duplicates Z: 9 8.127 1.980 0.168 0.726 0.875 0.750 CB 1.158 9 residues pruned to eliminate duplicates Z: 14 8.263 1.827 0.343 0.432 0.846 0.538 CB 1.185 13 residues pruned to eliminate duplicates Z: 7 4.140 1.337 0.510 0.529 1.000 0.833 CA 0.814 7 residues pruned to eliminate duplicates Z: 7 6.603 1.742 0.467 0.463 0.833 0.500 CB 1.314 7 residues pruned to eliminate duplicates Z: 40 35.619 2.131 0.713 0.633 0.949 0.821 CA 1.454 40 residues pruned to eliminate duplicates Z: 35 38.068 2.133 0.933 0.641 0.971 0.735 CA 1.430 35 residues pruned to eliminate duplicates Z: 39 37.159 2.099 0.863 0.664 0.921 0.737 CA 1.437 39 residues pruned to eliminate duplicates Z: 43 35.827 2.072 0.770 0.590 0.929 0.690 CB 1.489 43 residues pruned to eliminate duplicates Z: 32 36.173 2.151 0.773 0.730 1.000 0.839 CA 1.385 32 residues pruned to eliminate duplicates Z: 41 35.792 2.105 0.770 0.628 0.925 0.750 CA 1.456 41 residues pruned to eliminate duplicates Z: 46 36.828 2.002 0.906 0.583 0.956 0.733 CA 1.390 46 residues pruned to eliminate duplicates Z: 31 43.100 2.195 0.881 0.760 1.000 0.867 CA 1.513 31 residues pruned to eliminate duplicates Z: 44 46.777 2.180 0.781 0.727 0.977 0.698 CA 1.532 44 residues pruned to eliminate duplicates Z: 30 41.300 2.185 1.019 0.743 0.966 0.793 CA 1.449 30 residues pruned to eliminate duplicates Z: 35 40.996 2.115 0.903 0.667 1.000 0.559 CA 1.497 35 residues pruned to eliminate duplicates Z: 35 38.585 2.112 0.844 0.660 0.971 0.735 CA 1.509 35 residues pruned to eliminate duplicates Z: 43 48.480 2.160 0.912 0.756 0.976 0.643 CA 1.478 43 residues pruned to eliminate duplicates Z: 32 36.885 2.120 0.830 0.705 0.968 0.581 CA 1.465 32 residues pruned to eliminate duplicates Z: 35 34.577 2.111 0.793 0.643 0.971 0.529 CA 1.413 35 residues pruned to eliminate duplicates Z: 56 36.980 2.024 0.790 0.576 0.891 0.545 CA 1.435 56 residues pruned to eliminate duplicates Z: 22 46.968 2.241 1.163 0.852 0.952 0.571 CB 1.642 22 residues pruned to eliminate duplicates Z: 41 41.949 2.108 0.872 0.640 0.950 0.675 CA 1.552 41 residues pruned to eliminate duplicates Z: 35 39.406 2.108 0.998 0.667 0.971 0.676 CA 1.416 35 residues pruned to eliminate duplicates Z: 32 35.972 2.147 0.909 0.682 0.903 0.581 CA 1.477 32 residues pruned to eliminate duplicates Z: 37 38.621 2.084 0.953 0.625 1.000 0.528 CA 1.405 37 residues pruned to eliminate duplicates Z: 30 42.843 2.171 0.942 0.747 1.000 0.655 CA 1.514 30 residues pruned to eliminate duplicates Z: 53 40.430 2.067 0.759 0.659 0.923 0.635 CA 1.441 53 residues pruned to eliminate duplicates Z: 44 44.884 2.148 0.823 0.733 0.977 0.605 CA 1.451 44 residues pruned to eliminate duplicates Z: 32 40.511 2.156 0.958 0.702 0.968 0.710 CA 1.482 32 residues pruned to eliminate duplicates Z: 50 46.522 2.142 0.794 0.671 0.939 0.612 CA 1.573 50 residues pruned to eliminate duplicates Z: 47 43.134 2.132 0.789 0.673 0.957 0.543 CB 1.486 47 residues pruned to eliminate duplicates Z: 44 44.232 2.154 0.772 0.728 1.000 0.767 CA 1.440 44 residues pruned to eliminate duplicates Z: 52 39.107 2.080 0.666 0.619 0.941 0.588 CA 1.501 52 residues pruned to eliminate duplicates Z: 19 18.206 1.930 0.830 0.546 0.889 0.556 CB 1.307 19 residues pruned to eliminate duplicates Z: 46 49.573 2.169 0.915 0.701 0.978 0.622 CA 1.515 46 residues pruned to eliminate duplicates Z: 46 42.168 2.109 0.808 0.678 0.956 0.644 CB 1.464 46 residues pruned to eliminate duplicates Z: 47 46.570 2.122 0.886 0.712 0.935 0.609 CA 1.514 47 residues pruned to eliminate duplicates Z: 53 35.570 2.043 0.745 0.600 0.885 0.442 CA 1.423 53 residues pruned to eliminate duplicates Z: 17 17.924 1.989 0.604 0.604 0.875 0.375 CB 1.454 17 residues pruned to eliminate duplicates Z: 45 47.007 2.149 0.861 0.700 1.000 0.545 CA 1.477 45 residues pruned to eliminate duplicates Z: 44 49.210 2.165 0.799 0.741 1.000 0.628 CA 1.553 44 residues pruned to eliminate duplicates Z: 52 37.439 2.047 0.696 0.600 0.941 0.608 CA 1.458 52 residues pruned to eliminate duplicates Z: 61 44.325 2.117 0.774 0.573 0.967 0.567 CA 1.469 61 residues pruned to eliminate duplicates Z: 72 54.709 2.173 0.871 0.625 0.958 0.606 CB 1.482 73 residues pruned to eliminate duplicates Z: 12 13.898 2.067 0.401 0.819 0.909 0.636 CB 1.207 12 residues pruned to eliminate duplicates Z: 58 43.699 2.168 0.717 0.598 0.947 0.596 CB 1.495 58 residues pruned to eliminate duplicates Z: 28 20.543 2.087 0.600 0.481 0.852 0.407 CB 1.416 28 residues pruned to eliminate duplicates Z: 61 48.929 2.152 0.766 0.613 0.967 0.583 CA 1.544 61 residues pruned to eliminate duplicates Z: 62 42.003 2.114 0.794 0.584 0.934 0.377 CB 1.400 62 residues pruned to eliminate duplicates Z: 54 47.905 2.165 0.723 0.651 1.000 0.585 CB 1.533 54 residues pruned to eliminate duplicates Z: 47 32.797 2.081 0.770 0.549 0.935 0.587 CB 1.339 46 residues pruned to eliminate duplicates Z: 6 3.008 1.717 -0.037 0.334 0.800 0.400 N 1.220 6 residues pruned to eliminate duplicates Z: 28 25.568 2.169 0.872 0.486 0.889 0.630 CB 1.383 30 residues pruned to eliminate duplicates Z: 6 5.152 1.330 1.207 0.422 1.000 0.600 CA 0.852 6 residues pruned to eliminate duplicates Z: 11 14.204 2.177 0.917 0.413 0.900 0.600 CB 1.310 11 residues pruned to eliminate duplicates Z: 20 18.563 2.038 0.800 0.517 0.895 0.526 CB 1.276 20 residues pruned to eliminate duplicates Z: 19 20.273 2.135 0.874 0.525 0.889 0.611 CB 1.311 19 residues pruned to eliminate duplicates Z: 65 50.142 2.147 0.843 0.623 0.953 0.609 CB 1.479 65 residues pruned to eliminate duplicates Z: 18 22.140 2.146 0.845 0.598 0.882 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 80 54.491 2.143 0.885 0.589 0.949 0.544 CB 1.468 80 residues pruned to eliminate duplicates Z: 9 14.266 1.762 0.516 0.859 1.000 0.750 CA 1.390 9 residues pruned to eliminate duplicates Z: 10 10.038 1.697 0.186 0.785 1.000 0.556 CA 1.294 10 residues pruned to eliminate duplicates Z: 9 8.886 1.874 0.335 0.634 0.875 0.625 CB 1.266 9 residues pruned to eliminate duplicates Z: 72 45.215 2.115 0.795 0.573 0.944 0.563 CB 1.395 72 residues pruned to eliminate duplicates Z: 30 24.308 2.166 0.937 0.419 0.931 0.483 CB 1.257 29 residues pruned to eliminate duplicates Z: 10 14.650 1.752 0.781 0.799 0.889 0.889 CA 1.356 10 residues pruned to eliminate duplicates Z: 8 14.914 1.962 0.406 0.779 1.000 0.429 CB 1.598 8 residues pruned to eliminate duplicates Z: 6 3.288 1.251 0.980 0.360 1.000 0.800 CA 0.690 Z: 6 4.149 1.535 0.917 0.242 0.800 0.400 N 1.063 Z: 21 12.498 1.792 0.844 0.431 0.750 0.600 CB 1.211 21 residues pruned to eliminate duplicates Z: 15 15.116 1.837 0.939 0.573 0.857 0.571 CB 1.234 15 residues pruned to eliminate duplicates Z: 19 12.734 1.836 0.839 0.405 0.778 0.667 CB 1.263 19 residues pruned to eliminate duplicates Z: 61 28.458 1.911 0.699 0.469 0.883 0.617 CB 1.322 78 residues pruned to eliminate duplicates Z: 13 17.117 1.825 0.925 0.607 0.917 0.750 CA 1.386 13 residues pruned to eliminate duplicates Z: 12 16.026 1.766 0.944 0.662 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 12 6.372 1.728 0.449 0.346 0.636 0.364 O 1.425 12 residues pruned to eliminate duplicates Z: 36 13.826 1.895 0.536 0.315 0.914 0.400 CB 1.078 36 residues pruned to eliminate duplicates Z: 31 27.674 2.139 0.825 0.472 0.900 0.633 CB 1.479 31 residues pruned to eliminate duplicates Z: 20 17.806 2.169 0.786 0.358 0.789 0.368 CB 1.556 20 residues pruned to eliminate duplicates Z: 24 21.179 2.146 0.606 0.466 0.957 0.565 CB 1.386 24 residues pruned to eliminate duplicates Z: 18 20.301 2.150 1.121 0.405 0.882 0.412 CB 1.352 18 residues pruned to eliminate duplicates Z: 19 19.790 2.092 1.001 0.422 0.889 0.556 CB 1.360 19 residues pruned to eliminate duplicates Z: 42 28.129 2.041 0.773 0.438 0.951 0.610 CB 1.361 42 residues pruned to eliminate duplicates Z: 27 19.154 2.080 0.623 0.342 1.000 0.577 CB 1.321 27 residues pruned to eliminate duplicates Z: 32 24.186 2.141 0.692 0.424 0.871 0.516 CB 1.490 32 residues pruned to eliminate duplicates Z: 28 25.572 2.138 0.832 0.410 0.889 0.593 CB 1.553 28 residues pruned to eliminate duplicates Z: 31 27.654 2.166 0.841 0.420 0.900 0.533 CB 1.530 31 residues pruned to eliminate duplicates Z: 32 28.091 2.143 0.774 0.456 0.935 0.484 CB 1.484 32 residues pruned to eliminate duplicates Z: 26 22.732 2.161 0.749 0.440 0.880 0.640 CB 1.454 37 residues pruned to eliminate duplicates Z: 26 23.240 2.144 0.812 0.433 0.880 0.560 CB 1.458 26 residues pruned to eliminate duplicates Z: 32 27.975 2.143 0.821 0.478 0.871 0.677 CB 1.511 32 residues pruned to eliminate duplicates Z: 27 24.257 2.213 0.877 0.355 0.885 0.423 CB 1.515 27 residues pruned to eliminate duplicates Z: 21 19.692 2.031 0.761 0.441 0.900 0.600 CA 1.454 21 residues pruned to eliminate duplicates Z: 32 27.344 2.103 0.852 0.457 0.903 0.548 CB 1.458 32 residues pruned to eliminate duplicates Z: 26 24.892 2.148 0.853 0.439 0.920 0.640 CB 1.447 26 residues pruned to eliminate duplicates Z: 31 29.264 2.136 0.847 0.447 0.933 0.567 CB 1.533 31 residues pruned to eliminate duplicates Z: 31 26.614 2.148 0.822 0.410 0.900 0.600 CB 1.515 31 residues pruned to eliminate duplicates Z: 20 22.045 2.092 0.868 0.415 0.947 0.684 CB 1.493 20 residues pruned to eliminate duplicates Z: 37 20.476 2.080 0.683 0.281 0.861 0.417 CB 1.450 37 residues pruned to eliminate duplicates Z: 58 41.178 2.134 0.714 0.520 0.930 0.649 CB 1.573 58 residues pruned to eliminate duplicates Z: 52 39.984 2.163 0.705 0.520 0.922 0.686 CB 1.616 52 residues pruned to eliminate duplicates Z: 36 38.393 2.133 0.694 0.665 0.943 0.714 CB 1.635 36 residues pruned to eliminate duplicates Z: 55 45.164 2.207 0.759 0.555 0.926 0.667 CB 1.621 55 residues pruned to eliminate duplicates Z: 33 33.754 2.101 0.652 0.697 0.938 0.812 CB 1.532 33 residues pruned to eliminate duplicates Z: 33 34.025 2.107 0.587 0.692 0.969 0.812 CB 1.558 33 residues pruned to eliminate duplicates Z: 53 45.315 2.176 0.785 0.551 0.942 0.731 CB 1.633 53 residues pruned to eliminate duplicates Z: 35 29.442 2.053 0.462 0.683 0.912 0.794 CA 1.560 35 residues pruned to eliminate duplicates Z: 31 30.795 2.135 0.391 0.734 0.967 0.800 CB 1.588 31 residues pruned to eliminate duplicates Z: 30 30.315 2.043 0.709 0.611 0.966 0.793 CB 1.503 30 residues pruned to eliminate duplicates Z: 33 32.550 2.095 0.501 0.664 0.969 0.781 CB 1.623 33 residues pruned to eliminate duplicates Z: 52 32.983 1.939 0.721 0.540 0.961 0.745 CB 1.385 52 residues pruned to eliminate duplicates Z: 58 38.065 2.150 0.653 0.512 0.877 0.614 CB 1.599 58 residues pruned to eliminate duplicates Z: 34 33.796 2.106 0.598 0.668 0.970 0.788 CB 1.544 34 residues pruned to eliminate duplicates Z: 33 35.151 2.061 0.632 0.703 0.969 0.812 CA 1.586 33 residues pruned to eliminate duplicates Z: 69 39.068 2.110 0.620 0.490 0.912 0.559 CB 1.535 69 residues pruned to eliminate duplicates Z: 24 33.770 2.096 0.825 0.790 0.957 0.696 CB 1.492 24 residues pruned to eliminate duplicates Z: 24 37.726 2.188 0.836 0.781 0.957 0.565 CB 1.598 24 residues pruned to eliminate duplicates Z: 56 46.742 2.179 0.840 0.578 0.909 0.582 CB 1.604 56 residues pruned to eliminate duplicates Z: 53 44.033 2.167 0.794 0.539 0.923 0.615 CA 1.637 53 residues pruned to eliminate duplicates Z: 52 41.691 2.162 0.806 0.534 0.902 0.569 CB 1.604 52 residues pruned to eliminate duplicates Z: 29 46.443 2.197 0.889 0.786 1.000 0.679 CB 1.645 32 residues pruned to eliminate duplicates Z: 21 38.254 2.159 0.895 0.934 1.000 0.600 CB 1.458 21 residues pruned to eliminate duplicates Z: 27 34.856 2.120 0.863 0.732 0.923 0.385 CB 1.521 26 residues pruned to eliminate duplicates Z: 20 37.943 2.219 0.900 0.935 1.000 0.421 CB 1.439 20 residues pruned to eliminate duplicates Z: 17 35.018 2.243 0.902 0.936 0.938 0.625 CB 1.525 17 residues pruned to eliminate duplicates Z: 34 33.290 2.081 0.765 0.679 0.939 0.667 CB 1.426 34 residues pruned to eliminate duplicates Z: 30 44.080 2.166 0.822 0.757 1.000 0.586 CB 1.651 30 residues pruned to eliminate duplicates Z: 29 36.718 2.094 0.960 0.661 0.964 0.607 CB 1.511 29 residues pruned to eliminate duplicates Z: 27 32.358 2.078 0.838 0.761 0.846 0.423 CB 1.557 26 residues pruned to eliminate duplicates Z: 22 39.946 2.182 0.954 0.925 0.952 0.524 CB 1.506 22 residues pruned to eliminate duplicates Z: 14 10.873 1.823 0.806 0.392 0.769 0.462 CB 1.336 14 residues pruned to eliminate duplicates Z: 12 13.941 1.870 0.971 0.491 0.818 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 14 10.524 1.907 0.711 0.366 0.769 0.462 CB 1.344 14 residues pruned to eliminate duplicates Z: 18 16.194 2.066 0.708 0.458 0.824 0.412 CB 1.410 18 residues pruned to eliminate duplicates Z: 14 11.285 1.929 0.846 0.400 0.769 0.462 CB 1.270 14 residues pruned to eliminate duplicates Z: 14 13.840 2.030 0.765 0.492 0.846 0.462 CB 1.278 14 residues pruned to eliminate duplicates Z: 13 13.098 1.865 1.041 0.430 0.833 0.333 CB 1.281 13 residues pruned to eliminate duplicates Z: 12 15.074 2.025 0.845 0.504 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 13 11.794 1.990 0.964 0.446 0.833 0.667 CB 1.106 13 residues pruned to eliminate duplicates Z: 15 13.123 1.990 0.932 0.373 0.929 0.429 CB 1.125 15 residues pruned to eliminate duplicates Z: 21 12.249 2.060 0.660 0.335 0.800 0.400 CB 1.199 21 residues pruned to eliminate duplicates Z: 31 17.674 1.982 0.868 0.366 0.800 0.500 CB 1.258 31 residues pruned to eliminate duplicates Z: 6 4.060 1.643 0.645 0.346 0.800 0.200 CA 0.993 6 residues pruned to eliminate duplicates Z: 9 10.519 2.035 0.876 0.292 0.875 0.375 CA 1.406 9 residues pruned to eliminate duplicates Z: 10 6.490 1.937 0.426 0.342 0.667 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 11 9.817 1.880 0.725 0.318 0.800 0.500 CB 1.463 11 residues pruned to eliminate duplicates Z: 11 7.191 1.933 0.404 0.285 0.700 0.700 CA 1.525 11 residues pruned to eliminate duplicates Z: 12 5.062 1.759 0.305 0.271 0.727 0.364 N 1.185 12 residues pruned to eliminate duplicates Z: 10 9.555 1.968 0.639 0.294 0.778 0.444 CB 1.598 10 residues pruned to eliminate duplicates Z: 12 8.880 1.840 0.461 0.279 0.909 0.455 CB 1.407 12 residues pruned to eliminate duplicates Z: 15 10.072 1.775 0.676 0.302 0.857 0.429 CB 1.316 15 residues pruned to eliminate duplicates Z: 7 6.917 1.888 0.772 0.583 0.833 0.500 CA 0.935 Z: 7 3.638 1.347 1.298 0.247 0.833 0.667 CA 0.770 7 residues pruned to eliminate duplicates Z: 39 38.389 2.037 0.796 0.680 1.000 0.816 CA 1.442 39 residues pruned to eliminate duplicates Z: 10 6.454 1.585 0.778 0.447 0.778 0.667 CA 1.036 9 residues pruned to eliminate duplicates Z: 6 2.306 1.443 0.283 0.369 1.000 0.400 CA 0.641 6 residues pruned to eliminate duplicates Z: 16 12.303 1.672 0.779 0.576 0.933 0.667 CA 1.064 14 residues pruned to eliminate duplicates Z: 9 7.285 1.746 0.273 0.582 1.000 0.875 CA 1.071 9 residues pruned to eliminate duplicates Z: 8 11.031 1.844 0.475 0.658 1.000 0.714 CA 1.323 Z: 10 7.869 1.662 0.347 0.567 0.889 0.556 CB 1.235 9 residues pruned to eliminate duplicates Z: 17 9.824 1.805 0.559 0.442 0.812 0.562 CA 1.141 17 residues pruned to eliminate duplicates Z: 19 8.451 1.769 0.408 0.385 0.722 0.500 CA 1.252 19 residues pruned to eliminate duplicates Z: 6 3.296 1.492 0.494 0.360 0.800 0.400 CB 0.961 6 residues pruned to eliminate duplicates Z: 17 10.241 1.780 0.514 0.482 0.812 0.625 CA 1.191 17 residues pruned to eliminate duplicates Z: 19 10.434 1.814 0.519 0.406 0.889 0.444 CA 1.109 17 residues pruned to eliminate duplicates Z: 6 3.942 1.545 0.681 0.441 1.000 0.800 CA 0.721 6 residues pruned to eliminate duplicates Z: 15 8.132 1.853 0.263 0.409 0.857 0.500 CA 1.193 15 residues pruned to eliminate duplicates Z: 19 9.113 1.704 0.388 0.391 0.889 0.500 CA 1.146 19 residues pruned to eliminate duplicates Z: 13 12.048 1.840 0.699 0.548 0.833 0.833 CA 1.273 13 residues pruned to eliminate duplicates Z: 11 13.939 1.797 0.841 0.870 1.000 0.700 CB 0.972 11 residues pruned to eliminate duplicates Z: 38 32.027 1.940 0.953 0.557 0.946 0.568 CA 1.390 44 residues pruned to eliminate duplicates Z: 12 14.090 1.770 0.758 0.793 0.909 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 9 16.266 1.885 0.873 0.878 1.000 0.875 CB 1.181 9 residues pruned to eliminate duplicates Z: 11 12.703 1.755 0.817 0.779 1.000 0.400 CB 0.985 11 residues pruned to eliminate duplicates Z: 12 15.313 1.807 0.794 0.735 1.000 0.364 CB 1.154 12 residues pruned to eliminate duplicates Z: 28 32.369 2.113 0.984 0.505 0.963 0.630 CA 1.535 28 residues pruned to eliminate duplicates Z: 36 33.087 1.966 1.020 0.544 0.971 0.514 CA 1.388 32 residues pruned to eliminate duplicates Z: 14 12.942 1.772 1.064 0.664 0.923 0.308 CA 0.913 14 residues pruned to eliminate duplicates Z: 22 24.135 2.127 0.952 0.365 0.952 0.619 CA 1.540 22 residues pruned to eliminate duplicates Z: 23 28.957 2.118 1.052 0.413 1.000 0.636 CB 1.556 23 residues pruned to eliminate duplicates Z: 27 21.938 1.914 0.773 0.484 0.885 0.731 CA 1.457 27 residues pruned to eliminate duplicates Z: 30 24.199 1.916 1.028 0.448 0.897 0.517 CA 1.360 29 residues pruned to eliminate duplicates Z: 7 6.690 1.747 0.903 0.394 1.000 0.500 CA 0.919 7 residues pruned to eliminate duplicates Z: 36 29.242 1.974 0.885 0.508 0.943 0.629 CA 1.399 36 residues pruned to eliminate duplicates Z: 24 23.298 2.122 0.971 0.380 0.913 0.522 CA 1.446 24 residues pruned to eliminate duplicates Z: 38 29.550 1.934 0.904 0.532 0.946 0.595 CA 1.351 38 residues pruned to eliminate duplicates Z: 38 28.770 1.924 0.836 0.559 0.892 0.622 CA 1.418 38 residues pruned to eliminate duplicates Z: 37 29.168 1.930 0.901 0.488 0.972 0.472 CA 1.379 37 residues pruned to eliminate duplicates Z: 28 22.510 2.021 0.831 0.426 0.926 0.519 CA 1.365 28 residues pruned to eliminate duplicates Z: 25 20.265 1.927 0.788 0.411 0.958 0.542 CA 1.374 25 residues pruned to eliminate duplicates Z: 32 22.918 1.948 0.936 0.377 0.903 0.581 CA 1.378 31 residues pruned to eliminate duplicates Z: 6 2.566 1.481 0.639 0.276 0.600 0.600 CA 1.016 6 residues pruned to eliminate duplicates Z: 36 32.417 1.975 0.997 0.557 0.943 0.600 CA 1.394 36 residues pruned to eliminate duplicates Z: 15 17.902 2.068 0.964 0.385 0.857 0.500 CA 1.552 15 residues pruned to eliminate duplicates Z: 6 2.863 1.837 0.565 0.100 0.600 0.200 CA 1.237 6 residues pruned to eliminate duplicates Z: 53 40.464 2.030 0.770 0.556 0.962 0.712 CB 1.538 53 residues pruned to eliminate duplicates Z: 21 16.113 2.015 0.483 0.492 0.900 0.700 CA 1.349 21 residues pruned to eliminate duplicates Z: 25 20.427 1.968 0.490 0.539 0.958 0.792 CA 1.427 25 residues pruned to eliminate duplicates Z: 29 35.566 2.075 0.742 0.793 0.964 0.893 CA 1.492 29 residues pruned to eliminate duplicates Z: 25 22.194 1.955 0.699 0.534 0.917 0.750 CB 1.439 25 residues pruned to eliminate duplicates Z: 28 25.940 2.038 0.585 0.658 0.963 0.815 CA 1.386 28 residues pruned to eliminate duplicates Z: 34 27.935 2.016 0.522 0.697 0.939 0.879 CA 1.409 34 residues pruned to eliminate duplicates Z: 62 45.211 2.055 0.795 0.583 0.967 0.672 CA 1.499 38 residues pruned to eliminate duplicates Z: 21 34.096 2.036 0.778 0.876 1.000 0.900 CA 1.531 21 residues pruned to eliminate duplicates Z: 54 39.444 2.089 0.803 0.527 0.925 0.698 CA 1.515 54 residues pruned to eliminate duplicates Z: 32 32.503 2.013 0.663 0.733 0.968 0.774 CA 1.461 32 residues pruned to eliminate duplicates Z: 36 30.962 1.981 0.741 0.634 0.971 0.714 CB 1.377 36 residues pruned to eliminate duplicates Z: 36 33.691 1.984 0.867 0.645 0.943 0.686 CB 1.423 36 residues pruned to eliminate duplicates Z: 37 34.719 1.979 0.758 0.685 0.944 0.778 CB 1.486 37 residues pruned to eliminate duplicates Z: 21 32.832 2.094 0.736 0.932 1.000 0.900 CB 1.410 23 residues pruned to eliminate duplicates Z: 21 37.642 2.101 0.955 0.929 1.000 0.850 CB 1.434 21 residues pruned to eliminate duplicates Z: 34 36.969 2.023 0.877 0.701 0.970 0.788 CB 1.455 34 residues pruned to eliminate duplicates Z: 33 34.759 2.018 0.862 0.679 0.938 0.625 CB 1.479 33 residues pruned to eliminate duplicates Z: 32 32.999 2.023 0.960 0.698 0.968 0.484 CB 1.289 32 residues pruned to eliminate duplicates Z: 61 49.658 2.069 0.934 0.614 0.967 0.617 CB 1.487 61 residues pruned to eliminate duplicates Z: 63 46.641 2.047 0.908 0.558 0.968 0.613 CA 1.481 63 residues pruned to eliminate duplicates Z: 33 38.922 2.045 1.007 0.723 0.938 0.719 CB 1.462 32 residues pruned to eliminate duplicates Z: 18 35.128 2.135 0.979 0.924 1.000 0.647 CB 1.417 18 residues pruned to eliminate duplicates Z: 36 35.506 1.970 0.869 0.651 0.971 0.743 CB 1.458 35 residues pruned to eliminate duplicates Z: 20 28.280 2.073 0.872 0.905 0.895 0.368 CB 1.329 23 residues pruned to eliminate duplicates Z: 20 34.708 2.090 1.039 0.909 0.947 0.579 CB 1.400 20 residues pruned to eliminate duplicates Z: 32 40.018 2.071 0.908 0.764 1.000 0.710 CB 1.439 29 residues pruned to eliminate duplicates Z: 21 38.553 2.117 0.925 0.920 1.000 0.850 CB 1.490 21 residues pruned to eliminate duplicates Z: 35 36.980 1.992 0.890 0.701 0.941 0.735 CA 1.490 37 residues pruned to eliminate duplicates Z: 9 7.913 1.548 0.385 0.597 1.000 0.500 CB 1.190 8 residues pruned to eliminate duplicates Z: 8 7.299 1.774 0.399 0.622 1.000 0.429 CB 0.991 8 residues pruned to eliminate duplicates Z: 10 8.089 1.699 0.811 0.335 1.000 0.222 CB 1.050 10 residues pruned to eliminate duplicates Z: 18 7.144 1.631 0.336 0.346 0.941 0.647 CB 0.999 18 residues pruned to eliminate duplicates Z: 24 13.996 1.808 0.559 0.458 0.957 0.609 CB 1.130 25 residues pruned to eliminate duplicates Z: 7 8.145 1.709 0.570 0.518 1.000 0.667 O 1.217 7 residues pruned to eliminate duplicates Z: 18 8.531 1.735 0.590 0.450 0.824 0.588 CB 0.959 18 residues pruned to eliminate duplicates Z: 13 6.408 1.719 0.428 0.255 0.917 0.583 CB 1.089 13 residues pruned to eliminate duplicates Z: 33 11.166 1.724 0.567 0.359 0.844 0.594 CB 1.008 32 residues pruned to eliminate duplicates Z: 6 5.850 1.719 0.074 0.557 1.000 0.800 CA 1.341 6 residues pruned to eliminate duplicates Z: 6 7.074 1.949 0.483 0.429 1.000 0.800 CA 1.178 6 residues pruned to eliminate duplicates Z: 27 12.135 1.886 0.314 0.350 0.923 0.577 CB 1.224 27 residues pruned to eliminate duplicates Z: 28 12.313 1.829 0.529 0.391 0.926 0.630 CB 1.027 18 residues pruned to eliminate duplicates Z: 7 9.327 1.899 0.366 0.506 1.000 0.667 CA 1.459 7 residues pruned to eliminate duplicates Z: 20 14.713 2.014 0.415 0.467 0.947 0.632 CB 1.293 20 residues pruned to eliminate duplicates Z: 28 11.520 1.859 0.205 0.384 0.889 0.630 CB 1.261 28 residues pruned to eliminate duplicates Z: 30 12.302 1.901 0.276 0.363 0.862 0.586 CB 1.265 30 residues pruned to eliminate duplicates Z: 27 13.019 1.854 0.473 0.422 0.846 0.577 CB 1.199 27 residues pruned to eliminate duplicates Z: 24 14.826 1.929 0.472 0.419 0.913 0.609 CB 1.298 24 residues pruned to eliminate duplicates Z: 31 13.201 1.887 0.366 0.397 0.867 0.567 CB 1.202 31 residues pruned to eliminate duplicates Z: 24 14.894 1.952 0.463 0.409 0.913 0.565 CB 1.310 6 residues pruned to eliminate duplicates Z: 6 3.531 1.613 0.663 0.423 1.000 0.800 CB 0.638 6 residues pruned to eliminate duplicates Z: 26 13.591 1.928 0.426 0.414 0.880 0.560 CB 1.230 26 residues pruned to eliminate duplicates Z: 32 13.563 1.875 0.336 0.387 0.903 0.613 CB 1.214 32 residues pruned to eliminate duplicates Z: 32 13.820 1.865 0.450 0.398 0.839 0.548 CB 1.219 32 residues pruned to eliminate duplicates Z: 32 10.737 1.830 0.343 0.305 0.871 0.645 CB 1.120 32 residues pruned to eliminate duplicates Z: 28 9.902 1.849 0.380 0.267 0.889 0.556 CB 1.096 28 residues pruned to eliminate duplicates Z: 8 4.924 1.880 0.587 0.304 0.857 0.429 CB 0.905 Z: 6 3.766 1.740 0.263 0.293 1.000 0.400 CA 0.966 6 residues pruned to eliminate duplicates Z: 26 14.305 1.925 0.247 0.396 1.000 0.640 CA 1.330 25 residues pruned to eliminate duplicates Z: 33 21.801 2.030 0.515 0.523 0.906 0.656 CB 1.352 33 residues pruned to eliminate duplicates Z: 23 15.584 2.072 0.359 0.432 0.909 0.591 CB 1.393 23 residues pruned to eliminate duplicates Z: 18 8.034 1.908 0.233 0.342 0.824 0.529 CA 1.195 18 residues pruned to eliminate duplicates Z: 34 19.241 2.010 0.477 0.476 0.909 0.576 CB 1.272 34 residues pruned to eliminate duplicates Z: 29 10.047 1.841 0.253 0.354 0.857 0.536 CB 1.124 29 residues pruned to eliminate duplicates Z: 28 13.827 1.923 0.323 0.420 0.852 0.630 CB 1.335 27 residues pruned to eliminate duplicates Z: 34 17.928 1.961 0.478 0.480 0.909 0.576 CB 1.209 34 residues pruned to eliminate duplicates Z: 36 16.920 1.910 0.433 0.418 0.914 0.714 CB 1.246 36 residues pruned to eliminate duplicates Z: 34 21.418 2.017 0.489 0.517 0.939 0.697 CB 1.300 34 residues pruned to eliminate duplicates Z: 34 18.137 1.971 0.460 0.472 0.879 0.697 CB 1.285 34 residues pruned to eliminate duplicates Z: 35 19.165 1.970 0.465 0.473 0.912 0.735 CB 1.283 35 residues pruned to eliminate duplicates Z: 36 20.128 1.902 0.505 0.486 0.971 0.714 CB 1.241 35 residues pruned to eliminate duplicates Z: 7 7.586 1.470 1.009 0.522 1.000 0.667 CA 1.027 7 residues pruned to eliminate duplicates Z: 13 15.175 1.825 0.917 0.600 0.917 0.667 CB 1.242 13 residues pruned to eliminate duplicates Z: 9 15.198 2.080 0.761 0.623 0.875 0.625 CB 1.493 9 residues pruned to eliminate duplicates Z: 20 15.162 1.897 0.574 0.486 0.947 0.526 CB 1.246 20 residues pruned to eliminate duplicates Z: 7 7.106 1.802 0.761 0.557 0.833 0.500 CB 1.038 7 residues pruned to eliminate duplicates Z: 6 5.321 1.550 0.883 0.686 0.800 0.400 CA 0.859 7 residues pruned to eliminate duplicates 6 1.771 1.733 0.141 0.344 0.800 0.400 CA 0.593 ? Z: 7 10.138 1.911 0.561 0.518 1.000 0.833 CA 1.362 7 residues pruned to eliminate duplicates Z: 21 14.432 1.884 0.423 0.538 0.950 0.700 CB 1.222 21 residues pruned to eliminate duplicates Z: 17 16.078 1.977 0.733 0.432 0.938 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 18 13.271 1.905 0.700 0.358 0.882 0.471 CB 1.313 18 residues pruned to eliminate duplicates Z: 22 12.132 1.852 0.582 0.352 0.905 0.619 CB 1.173 22 residues pruned to eliminate duplicates Z: 18 13.431 1.918 0.638 0.418 0.882 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 11 12.995 2.035 0.758 0.446 0.800 0.500 CB 1.517 11 residues pruned to eliminate duplicates Z: 12 16.641 2.039 0.656 0.499 1.000 0.545 CB 1.488 12 residues pruned to eliminate duplicates Z: 20 11.776 1.884 0.639 0.343 0.895 0.526 CB 1.160 20 residues pruned to eliminate duplicates Z: 20 11.944 1.833 0.619 0.419 0.842 0.421 CB 1.194 20 residues pruned to eliminate duplicates Z: 18 11.740 1.900 0.583 0.346 0.882 0.471 CB 1.269 18 residues pruned to eliminate duplicates Z: 12 6.155 1.749 0.641 0.198 0.727 0.273 CB 1.273 12 residues pruned to eliminate duplicates Z: 42 15.817 1.876 0.523 0.360 0.854 0.512 CB 1.179 52 residues pruned to eliminate duplicates Z: 27 12.589 1.827 0.571 0.356 0.846 0.462 CB 1.188 27 residues pruned to eliminate duplicates Z: 15 8.682 1.746 0.924 0.272 0.786 0.429 CA 1.138 15 residues pruned to eliminate duplicates Z: 9 5.582 1.757 0.465 0.443 0.750 0.375 CB 1.084 9 residues pruned to eliminate duplicates Z: 6 7.036 1.906 0.323 0.668 1.000 0.600 CA 1.068 6 residues pruned to eliminate duplicates Z: 14 9.709 1.823 0.552 0.346 0.923 0.615 CA 1.219 14 residues pruned to eliminate duplicates Z: 14 6.854 1.749 0.559 0.269 0.846 0.385 CA 1.072 14 residues pruned to eliminate duplicates Z: 13 6.827 1.683 0.308 0.509 0.917 0.500 CB 0.967 13 residues pruned to eliminate duplicates Z: 15 11.191 1.860 0.594 0.505 0.714 0.571 CB 1.405 41 residues pruned to eliminate duplicates Z: 6 2.756 1.538 0.655 0.256 0.600 0.200 N 1.068 6 residues pruned to eliminate duplicates Z: 8 7.555 1.873 0.457 0.399 0.857 0.571 CA 1.358 8 residues pruned to eliminate duplicates Z: 8 7.781 1.843 0.622 0.331 0.857 0.571 CA 1.381 8 residues pruned to eliminate duplicates Z: 20 8.112 1.602 0.824 0.147 0.842 0.368 CA 1.169 20 residues pruned to eliminate duplicates Z: 10 4.891 1.608 0.705 0.276 0.556 0.444 CA 1.378 10 residues pruned to eliminate duplicates Z: 76 41.956 2.033 0.615 0.572 0.947 0.640 CB 1.454 76 residues pruned to eliminate duplicates Z: 61 36.309 2.010 0.636 0.583 0.950 0.567 CB 1.385 61 residues pruned to eliminate duplicates Z: 47 26.945 1.954 0.568 0.594 0.913 0.587 CA 1.298 47 residues pruned to eliminate duplicates Z: 9 6.271 1.905 0.212 0.389 1.000 0.500 CA 1.079 15 residues pruned to eliminate duplicates Z: 73 37.193 2.012 0.596 0.519 0.958 0.542 CA 1.398 73 residues pruned to eliminate duplicates Z: 70 40.682 2.053 0.631 0.572 0.986 0.725 CA 1.384 74 residues pruned to eliminate duplicates Z: 7 5.501 1.755 0.420 0.368 0.833 0.333 CA 1.246 7 residues pruned to eliminate duplicates Z: 72 44.019 2.066 0.621 0.593 0.972 0.676 CA 1.468 67 residues pruned to eliminate duplicates Z: 20 29.869 2.130 0.667 0.864 1.000 0.842 CA 1.414 20 residues pruned to eliminate duplicates Z: 72 43.183 2.038 0.684 0.562 0.972 0.620 CB 1.446 72 residues pruned to eliminate duplicates Z: 32 31.819 2.053 0.661 0.729 0.968 0.806 CA 1.409 32 residues pruned to eliminate duplicates Z: 32 27.329 1.998 0.536 0.660 1.000 0.677 CB 1.378 32 residues pruned to eliminate duplicates Z: 34 29.279 2.035 0.721 0.625 1.000 0.697 CA 1.293 34 residues pruned to eliminate duplicates Z: 32 30.059 2.026 0.741 0.662 0.968 0.774 CA 1.361 32 residues pruned to eliminate duplicates Z: 32 29.337 2.015 0.599 0.661 1.000 0.742 CA 1.408 32 residues pruned to eliminate duplicates Z: 30 33.111 2.083 0.669 0.728 1.000 0.655 CA 1.440 30 residues pruned to eliminate duplicates Z: 69 46.337 2.066 0.771 0.585 0.985 0.647 CA 1.437 69 residues pruned to eliminate duplicates Z: 22 30.589 2.105 0.802 0.776 1.000 0.571 CA 1.379 22 residues pruned to eliminate duplicates Z: 56 33.347 2.027 0.571 0.561 0.927 0.618 CA 1.435 56 residues pruned to eliminate duplicates Z: 73 42.359 2.032 0.712 0.602 0.917 0.639 CA 1.420 72 residues pruned to eliminate duplicates Z: 20 26.719 2.063 0.756 0.866 0.947 0.842 CA 1.308 20 residues pruned to eliminate duplicates Z: 49 43.496 2.035 0.927 0.689 1.000 0.688 CA 1.347 49 residues pruned to eliminate duplicates Z: 46 40.737 2.043 0.746 0.703 1.000 0.800 CB 1.415 46 residues pruned to eliminate duplicates Z: 44 36.504 2.025 0.641 0.721 0.930 0.674 CA 1.475 44 residues pruned to eliminate duplicates Z: 67 42.411 2.057 0.662 0.593 0.970 0.652 CB 1.440 67 residues pruned to eliminate duplicates Z: 32 30.494 2.036 0.679 0.678 0.968 0.677 CA 1.406 32 residues pruned to eliminate duplicates Z: 72 47.854 2.071 0.744 0.626 0.944 0.634 CB 1.479 72 residues pruned to eliminate duplicates Z: 42 41.448 2.035 0.802 0.730 1.000 0.732 CA 1.436 42 residues pruned to eliminate duplicates Z: 65 45.057 2.065 0.796 0.603 0.938 0.625 CA 1.468 65 residues pruned to eliminate duplicates Z: 35 25.749 2.035 0.517 0.607 0.882 0.647 CA 1.464 35 residues pruned to eliminate duplicates Z: 33 28.450 2.045 0.658 0.631 0.906 0.625 CA 1.447 33 residues pruned to eliminate duplicates Z: 58 33.047 2.018 0.608 0.576 0.895 0.632 CA 1.401 58 residues pruned to eliminate duplicates Z: 8 2.078 1.644 0.067 0.178 0.571 0.143 CB 1.154 Z: 13 6.144 2.035 0.326 0.343 0.667 0.333 CB 1.170 13 residues pruned to eliminate duplicates Z: 56 24.149 1.999 0.523 0.389 0.891 0.509 CB 1.350 53 residues pruned to eliminate duplicates Z: 31 17.512 2.072 0.379 0.426 0.833 0.433 CB 1.449 31 residues pruned to eliminate duplicates Z: 22 16.472 2.129 0.629 0.409 0.762 0.381 CB 1.497 22 residues pruned to eliminate duplicates Z: 34 18.874 2.044 0.509 0.516 0.788 0.576 CB 1.331 34 residues pruned to eliminate duplicates Z: 58 22.352 1.996 0.564 0.432 0.825 0.579 CB 1.234 58 residues pruned to eliminate duplicates Z: 24 17.378 1.975 0.445 0.490 0.957 0.565 CA 1.341 24 residues pruned to eliminate duplicates Z: 16 18.546 2.062 0.835 0.491 0.933 0.467 CB 1.369 16 residues pruned to eliminate duplicates Z: 53 23.754 2.005 0.601 0.417 0.846 0.481 CB 1.323 53 residues pruned to eliminate duplicates Z: 23 19.291 2.021 0.609 0.557 0.909 0.500 CA 1.317 23 residues pruned to eliminate duplicates Z: 25 18.858 2.014 0.533 0.535 0.833 0.667 CA 1.446 25 residues pruned to eliminate duplicates Z: 26 18.101 2.030 0.575 0.526 0.840 0.600 CA 1.313 26 residues pruned to eliminate duplicates Z: 30 17.249 1.929 0.518 0.445 0.862 0.552 CB 1.344 30 residues pruned to eliminate duplicates Z: 56 23.929 2.038 0.474 0.467 0.855 0.564 CB 1.299 56 residues pruned to eliminate duplicates Z: 51 22.816 1.964 0.551 0.484 0.840 0.540 CB 1.282 51 residues pruned to eliminate duplicates Z: 25 16.746 2.024 0.456 0.513 0.833 0.458 CB 1.374 25 residues pruned to eliminate duplicates Z: 34 16.332 1.986 0.551 0.428 0.788 0.545 CB 1.263 34 residues pruned to eliminate duplicates Z: 22 21.704 2.092 0.652 0.578 0.857 0.667 CB 1.483 22 residues pruned to eliminate duplicates Z: 63 21.188 1.915 0.493 0.429 0.855 0.484 CB 1.185 63 residues pruned to eliminate duplicates Z: 32 19.986 2.029 0.495 0.537 0.839 0.548 CB 1.361 32 residues pruned to eliminate duplicates Z: 25 19.208 2.014 0.566 0.536 0.917 0.625 CB 1.309 25 residues pruned to eliminate duplicates Z: 23 21.552 2.031 0.639 0.581 0.955 0.591 CB 1.337 23 residues pruned to eliminate duplicates Z: 34 18.888 1.936 0.602 0.430 0.909 0.545 CB 1.254 34 residues pruned to eliminate duplicates Z: 26 16.173 2.006 0.724 0.425 0.800 0.480 CB 1.264 26 residues pruned to eliminate duplicates Z: 38 14.725 1.900 0.419 0.398 0.865 0.486 CB 1.157 38 residues pruned to eliminate duplicates Z: 8 6.458 1.986 0.496 0.490 0.857 0.571 CB 0.968 8 residues pruned to eliminate duplicates Z: 35 14.876 1.940 0.516 0.414 0.794 0.588 CB 1.196 35 residues pruned to eliminate duplicates Z: 22 9.801 1.769 0.668 0.279 0.857 0.524 CB 1.084 22 residues pruned to eliminate duplicates Z: 41 16.777 1.924 0.384 0.404 0.875 0.525 CB 1.259 41 residues pruned to eliminate duplicates Z: 16 8.440 1.828 0.359 0.291 1.000 0.467 CB 1.109 16 residues pruned to eliminate duplicates Z: 33 17.801 1.950 0.557 0.443 0.906 0.562 CB 1.213 33 residues pruned to eliminate duplicates Z: 39 21.029 1.944 0.589 0.438 0.947 0.632 CB 1.243 39 residues pruned to eliminate duplicates Z: 23 13.536 1.818 0.481 0.439 0.909 0.409 CB 1.255 23 residues pruned to eliminate duplicates Z: 72 27.847 1.991 0.545 0.439 0.887 0.549 CB 1.290 72 residues pruned to eliminate duplicates Z: 30 14.239 1.894 0.534 0.388 0.897 0.586 CB 1.143 30 residues pruned to eliminate duplicates Z: 19 15.114 1.932 0.569 0.482 0.944 0.611 CB 1.268 19 residues pruned to eliminate duplicates Z: 34 14.077 1.879 0.503 0.324 0.848 0.424 CB 1.240 34 residues pruned to eliminate duplicates Z: 17 5.913 1.777 0.584 0.238 0.875 0.438 CB 0.813 17 residues pruned to eliminate duplicates Z: 32 16.618 1.951 0.576 0.390 0.871 0.484 CA 1.252 32 residues pruned to eliminate duplicates Z: 24 15.143 1.932 0.423 0.444 0.957 0.696 CB 1.272 24 residues pruned to eliminate duplicates Z: 34 13.383 1.800 0.591 0.332 0.788 0.515 CB 1.242 34 residues pruned to eliminate duplicates Z: 24 12.197 1.958 0.563 0.392 0.826 0.478 CB 1.127 24 residues pruned to eliminate duplicates Z: 78 24.165 1.975 0.593 0.365 0.844 0.468 CB 1.199 78 residues pruned to eliminate duplicates Z: 40 18.495 1.921 0.528 0.356 0.949 0.538 CB 1.244 40 residues pruned to eliminate duplicates Z: 28 15.884 1.944 0.533 0.375 0.889 0.556 CA 1.318 20 residues pruned to eliminate duplicates Z: 41 18.824 1.928 0.528 0.397 0.975 0.600 CB 1.156 31 residues pruned to eliminate duplicates Z: 16 8.012 1.945 0.526 0.330 0.800 0.467 CB 1.049 16 residues pruned to eliminate duplicates Z: 46 18.070 1.890 0.544 0.339 0.933 0.533 CB 1.179 46 residues pruned to eliminate duplicates Z: 23 14.723 1.940 0.728 0.359 0.909 0.500 CB 1.199 23 residues pruned to eliminate duplicates Z: 21 12.030 1.923 0.361 0.372 0.950 0.600 CA 1.240 21 residues pruned to eliminate duplicates Z: 31 17.723 1.953 0.607 0.414 0.933 0.533 CA 1.209 31 residues pruned to eliminate duplicates Z: 41 18.945 1.899 0.671 0.375 0.900 0.425 CB 1.199 41 residues pruned to eliminate duplicates Z: 21 12.268 2.001 0.604 0.322 0.900 0.450 CB 1.156 21 residues pruned to eliminate duplicates Z: 15 11.614 1.867 0.591 0.413 0.929 0.571 CB 1.233 15 residues pruned to eliminate duplicates Z: 37 18.196 1.869 0.656 0.350 0.917 0.528 CB 1.258 38 residues pruned to eliminate duplicates Z: 6 3.960 1.976 0.075 0.108 1.000 0.400 CA 1.371 Z: 23 15.617 1.916 0.756 0.348 0.955 0.545 CB 1.223 29 residues pruned to eliminate duplicates Z: 50 23.029 1.969 0.652 0.365 0.878 0.592 CB 1.332 40 residues pruned to eliminate duplicates Z: 11 19.062 2.041 0.989 0.897 1.000 0.900 CB 1.063 11 residues pruned to eliminate duplicates Z: 71 46.241 2.055 0.758 0.614 0.957 0.657 CA 1.434 73 residues pruned to eliminate duplicates Z: 11 13.771 1.984 0.566 0.863 0.900 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 38 27.824 2.027 0.693 0.512 0.919 0.622 CA 1.433 38 residues pruned to eliminate duplicates Z: 41 26.142 1.981 0.760 0.410 0.900 0.425 CA 1.447 41 residues pruned to eliminate duplicates Z: 34 26.618 2.068 0.713 0.425 0.909 0.455 CA 1.556 34 residues pruned to eliminate duplicates Z: 38 25.290 1.999 0.737 0.412 0.919 0.514 CB 1.429 38 residues pruned to eliminate duplicates Z: 34 20.741 2.006 0.619 0.400 0.848 0.424 CB 1.456 34 residues pruned to eliminate duplicates Z: 50 30.863 2.001 0.655 0.584 0.898 0.673 CA 1.368 50 residues pruned to eliminate duplicates Z: 40 26.622 2.060 0.596 0.460 0.923 0.513 CB 1.462 39 residues pruned to eliminate duplicates Z: 6 4.316 1.549 0.704 0.260 0.800 0.800 C 1.203 Z: 6 4.286 1.690 0.725 0.280 0.800 0.400 C 1.053 6 residues pruned to eliminate duplicates Z: 70 38.225 2.053 0.559 0.544 0.913 0.580 CA 1.508 70 residues pruned to eliminate duplicates Z: 39 19.711 1.983 0.524 0.398 0.868 0.526 CB 1.356 39 residues pruned to eliminate duplicates Z: 31 19.952 2.080 0.483 0.403 0.867 0.467 CB 1.509 31 residues pruned to eliminate duplicates Z: 37 21.711 1.973 0.666 0.393 0.889 0.472 CB 1.387 37 residues pruned to eliminate duplicates Z: 23 23.291 2.146 0.596 0.476 0.955 0.364 CA 1.556 23 residues pruned to eliminate duplicates Z: 27 19.491 1.951 0.676 0.403 0.846 0.538 CA 1.531 27 residues pruned to eliminate duplicates Z: 33 18.623 2.017 0.330 0.511 0.844 0.531 CA 1.439 33 residues pruned to eliminate duplicates Z: 25 21.521 1.976 0.780 0.419 0.875 0.458 CA 1.554 24 residues pruned to eliminate duplicates Z: 6 6.084 1.651 0.644 0.475 1.000 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 32 18.237 2.038 0.511 0.436 0.806 0.548 CA 1.409 38 residues pruned to eliminate duplicates Z: 39 28.693 2.101 0.712 0.468 0.895 0.474 CB 1.495 39 residues pruned to eliminate duplicates Z: 40 25.609 2.067 0.592 0.478 0.872 0.615 CB 1.462 40 residues pruned to eliminate duplicates Z: 23 22.708 2.108 0.695 0.517 0.864 0.727 CA 1.543 24 residues pruned to eliminate duplicates Z: 10 15.059 1.790 0.801 0.891 1.000 0.778 CA 1.119 12 residues pruned to eliminate duplicates Z: 11 14.338 1.689 0.808 0.784 1.000 0.700 CA 1.156 11 residues pruned to eliminate duplicates Z: 69 43.603 2.063 0.779 0.546 0.926 0.574 CA 1.487 69 residues pruned to eliminate duplicates Z: 32 25.339 2.082 0.756 0.452 0.903 0.581 CA 1.447 32 residues pruned to eliminate duplicates Z: 16 16.996 1.994 0.544 0.596 0.933 0.600 CA 1.393 16 residues pruned to eliminate duplicates Z: 8 7.478 1.929 0.518 0.625 0.714 0.429 CB 1.202 8 residues pruned to eliminate duplicates Z: 20 10.491 1.788 0.402 0.370 0.947 0.368 CB 1.166 26 residues pruned to eliminate duplicates Z: 20 11.151 1.864 0.620 0.365 0.789 0.421 CB 1.241 20 residues pruned to eliminate duplicates Z: 38 15.502 1.839 0.529 0.359 0.892 0.514 CB 1.183 58 residues pruned to eliminate duplicates Z: 6 2.631 1.507 0.620 0.186 1.000 0.400 CA 0.702 6 residues pruned to eliminate duplicates Z: 15 6.916 1.696 0.817 0.246 0.786 0.286 CB 1.023 15 residues pruned to eliminate duplicates Z: 23 10.064 1.750 0.444 0.332 0.909 0.409 CB 1.122 23 residues pruned to eliminate duplicates Z: 20 9.368 1.772 0.442 0.339 0.895 0.579 CB 1.121 20 residues pruned to eliminate duplicates Z: 9 8.030 1.840 0.683 0.321 0.875 0.375 CB 1.276 9 residues pruned to eliminate duplicates Z: 21 8.415 1.813 0.425 0.293 0.750 0.350 CB 1.225 21 residues pruned to eliminate duplicates Z: 10 5.268 1.717 0.460 0.184 0.778 0.333 CB 1.316 Z: 6 3.020 1.500 0.690 0.417 1.000 0.800 CA 0.581 6 residues pruned to eliminate duplicates Z: 9 3.116 1.642 0.277 0.332 0.625 0.125 CB 1.011 9 residues pruned to eliminate duplicates Z: 20 10.741 1.792 0.573 0.298 0.895 0.421 CA 1.225 20 residues pruned to eliminate duplicates Z: 21 8.447 1.837 0.331 0.301 0.900 0.400 CB 1.072 17 residues pruned to eliminate duplicates Z: 6 2.339 1.272 0.773 0.368 0.800 0.400 CB 0.668 6 residues pruned to eliminate duplicates Z: 34 11.987 1.829 0.371 0.357 0.879 0.424 CB 1.105 38 residues pruned to eliminate duplicates Z: 6 2.940 1.583 -0.080 0.419 1.000 0.600 CB 0.983 6 residues pruned to eliminate duplicates Z: 16 8.264 1.935 0.328 0.406 0.733 0.533 CB 1.251 16 residues pruned to eliminate duplicates Z: 18 6.086 1.685 0.358 0.290 0.824 0.353 CB 0.991 17 residues pruned to eliminate duplicates Z: 7 4.432 1.685 0.385 0.356 0.833 0.500 CB 1.087 7 residues pruned to eliminate duplicates Z: 14 7.315 1.891 0.434 0.327 0.846 0.462 CB 1.069 14 residues pruned to eliminate duplicates Z: 12 9.487 1.960 0.609 0.446 0.909 0.545 CB 1.055 14 residues pruned to eliminate duplicates Z: 6 6.172 1.961 0.645 0.385 0.800 0.600 CA 1.209 Z: 37 17.708 2.067 0.563 0.306 0.806 0.556 CB 1.407 45 residues pruned to eliminate duplicates Z: 8 6.183 1.587 0.427 0.455 1.000 0.286 C 1.080 6 residues pruned to eliminate duplicates Z: 6 7.899 1.746 0.493 0.629 1.000 0.200 C 1.200 7 residues pruned to eliminate duplicates Z: 11 5.785 1.698 0.882 0.333 0.700 0.300 CB 0.982 9 residues pruned to eliminate duplicates Z: 6 6.321 2.128 0.188 0.306 1.000 0.200 CB 1.388 Z: 36 18.207 2.056 0.548 0.351 0.829 0.571 CB 1.371 27 residues pruned to eliminate duplicates Z: 6 5.692 1.585 0.739 0.338 1.000 0.600 CA 1.103 Z: 35 21.652 2.090 0.638 0.361 0.853 0.441 CB 1.477 35 residues pruned to eliminate duplicates Z: 38 18.859 2.066 0.660 0.352 0.784 0.378 CB 1.353 43 residues pruned to eliminate duplicates Z: 6 2.841 1.828 0.204 0.260 0.800 0.200 CA 0.950 6 residues pruned to eliminate duplicates Z: 36 18.003 2.078 0.529 0.334 0.829 0.486 CB 1.386 36 residues pruned to eliminate duplicates Z: 35 18.260 2.119 0.533 0.314 0.853 0.441 CB 1.389 35 residues pruned to eliminate duplicates Z: 19 12.794 2.036 0.368 0.475 0.833 0.500 CB 1.333 27 residues pruned to eliminate duplicates Z: 28 14.740 2.098 0.515 0.357 0.852 0.556 CB 1.222 28 residues pruned to eliminate duplicates Z: 20 10.862 1.988 0.329 0.454 0.789 0.579 CB 1.252 20 residues pruned to eliminate duplicates Z: 32 16.186 2.050 0.565 0.353 0.742 0.548 CA 1.432 32 residues pruned to eliminate duplicates Z: 29 13.230 2.087 0.444 0.330 0.750 0.500 CB 1.332 29 residues pruned to eliminate duplicates Z: 6 7.348 2.030 0.497 0.545 0.800 0.600 CA 1.293 Z: 6 2.094 1.296 0.418 0.457 1.000 0.800 CA 0.533 6 residues pruned to eliminate duplicates Z: 15 9.476 1.877 0.713 0.423 0.857 0.714 CB 0.995 15 residues pruned to eliminate duplicates Z: 14 11.368 1.920 0.670 0.446 0.923 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 6 5.025 1.574 1.261 0.300 0.800 0.200 CA 0.987 6 residues pruned to eliminate duplicates Z: 12 9.556 1.840 0.587 0.500 1.000 0.727 CB 0.987 12 residues pruned to eliminate duplicates Z: 24 10.125 1.796 0.492 0.343 0.913 0.478 CB 1.023 14 residues pruned to eliminate duplicates Z: 7 5.317 1.552 0.420 0.369 1.000 0.667 CB 1.133 Z: 26 12.734 1.896 0.332 0.416 0.840 0.480 CB 1.311 33 residues pruned to eliminate duplicates Z: 27 12.451 1.900 0.246 0.444 0.808 0.538 CB 1.353 24 residues pruned to eliminate duplicates Z: 6 4.840 1.575 0.698 0.468 1.000 0.400 CA 0.836 6 residues pruned to eliminate duplicates Z: 38 17.470 1.948 0.412 0.401 0.865 0.622 CB 1.340 48 residues pruned to eliminate duplicates Z: 6 4.666 1.701 0.074 0.423 1.000 0.800 CA 1.236 6 residues pruned to eliminate duplicates Z: 26 13.150 1.939 0.315 0.377 0.880 0.440 CB 1.336 26 residues pruned to eliminate duplicates Z: 35 17.430 1.974 0.376 0.428 0.912 0.647 CB 1.301 35 residues pruned to eliminate duplicates Z: 21 12.915 1.965 0.431 0.477 0.850 0.700 CB 1.236 21 residues pruned to eliminate duplicates 6 1.079 1.387 0.666 0.412 0.600 0.000 CB 0.382 ? 6 1.151 1.123 0.741 0.227 0.400 0.000 CB 0.906 ? Z: 6 4.708 1.631 0.146 0.422 1.000 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 7 8.700 2.222 0.047 0.673 1.000 0.667 CB 1.302 7 residues pruned to eliminate duplicates Z: 53 20.895 2.003 0.374 0.360 0.865 0.558 CB 1.415 97 residues pruned to eliminate duplicates Z: 6 6.492 1.658 0.415 0.390 1.000 0.800 CA 1.391 6 residues pruned to eliminate duplicates Z: 16 15.771 1.984 0.828 0.471 0.867 0.600 CB 1.335 16 residues pruned to eliminate duplicates Z: 12 13.635 2.041 0.621 0.492 0.909 0.727 CB 1.378 12 residues pruned to eliminate duplicates Z: 14 17.477 1.932 0.667 0.613 1.000 0.923 CB 1.352 14 residues pruned to eliminate duplicates Z: 12 18.279 2.005 0.802 0.599 0.909 0.727 CB 1.526 12 residues pruned to eliminate duplicates Z: 19 8.985 1.904 0.476 0.295 0.778 0.389 CB 1.218 38 residues pruned to eliminate duplicates Z: 18 10.593 1.947 0.854 0.297 0.765 0.412 CB 1.168 9 residues pruned to eliminate duplicates Z: 10 8.237 1.692 0.599 0.480 1.000 0.667 CA 1.035 10 residues pruned to eliminate duplicates Z: 6 5.672 1.702 0.921 0.571 0.800 0.400 CA 0.905 6 residues pruned to eliminate duplicates Z: 18 14.993 1.980 0.897 0.385 0.882 0.412 CB 1.240 18 residues pruned to eliminate duplicates Z: 7 4.094 1.467 0.596 0.453 0.833 0.333 CA 0.899 7 residues pruned to eliminate duplicates Z: 17 10.567 1.946 0.673 0.445 0.750 0.312 CB 1.145 17 residues pruned to eliminate duplicates Z: 18 12.601 1.888 0.735 0.488 0.824 0.529 CB 1.146 18 residues pruned to eliminate duplicates Z: 17 10.976 2.018 0.798 0.363 0.812 0.562 CB 1.079 17 residues pruned to eliminate duplicates Z: 18 12.351 2.036 0.757 0.335 0.882 0.529 CB 1.137 18 residues pruned to eliminate duplicates Z: 18 12.381 2.032 0.843 0.337 0.882 0.471 CB 1.085 18 residues pruned to eliminate duplicates Z: 25 11.608 1.811 0.582 0.367 0.875 0.500 CB 1.090 22 residues pruned to eliminate duplicates 747 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 20 D: 6 E: 9 F: 9 G: 20 H: 7 I: 10 J: 7 K: 16 L: 12 M: 63 N: 70 O: 35 P: 75 Q: 105 R: 15 S: 28 T: 30 U: 21 V: 53 W: 100 X: 21 CC for partial structure against native data = 28.69 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.377, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.435, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.517, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.526, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.536, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.542, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.548, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.551, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.556, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6356 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1295 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 35 24.062 2.000 0.563 0.506 0.971 0.765 CB 1.353 B: 20 43.629 2.263 0.900 0.922 1.000 0.789 CB 1.637 C: 23 27.195 2.059 0.350 0.917 1.000 0.955 CB 1.472 D: 13 17.896 1.974 0.651 0.734 1.000 0.583 CB 1.284 E: 35 17.121 2.029 0.486 0.382 0.824 0.441 CB 1.341 F: 19 14.144 1.890 0.514 0.520 0.833 0.611 CB 1.370 G: 21 35.402 2.229 0.675 0.934 1.000 0.700 CB 1.478 22 residues pruned to eliminate duplicates H: 9 12.355 1.853 0.308 0.671 1.000 0.750 CB 1.539 I: 70 47.712 2.113 0.820 0.590 0.942 0.551 CA 1.455 20 residues pruned to eliminate duplicates J: 22 39.596 2.031 0.902 0.940 1.000 1.000 CA 1.553 K: 9 8.577 1.450 0.637 0.843 1.000 0.625 CA 0.951 L: 11 21.499 2.149 0.849 0.907 0.900 0.800 CB 1.351 12 residues pruned to eliminate duplicates M: 64 51.886 2.150 0.885 0.620 0.984 0.587 CA 1.463 70 residues pruned to eliminate duplicates N: 23 26.870 1.942 0.351 0.939 1.000 1.000 CB 1.517 23 residues pruned to eliminate duplicates O: 19 33.912 2.230 0.662 0.948 1.000 0.778 CB 1.489 19 residues pruned to eliminate duplicates P: 18 25.757 2.081 0.619 0.886 1.000 0.824 CA 1.338 Q: 8 11.898 2.165 0.555 0.615 0.857 0.857 CA 1.397 8 residues pruned to eliminate duplicates R: 12 16.275 1.960 0.680 0.818 0.909 0.727 CA 1.243 12 residues pruned to eliminate duplicates S: 12 11.756 1.963 0.568 0.396 0.909 0.636 CA 1.415 22 residues pruned to eliminate duplicates T: 10 17.770 2.125 0.570 0.911 1.000 0.889 CB 1.259 10 residues pruned to eliminate duplicates U: 47 32.918 2.084 0.738 0.502 0.891 0.543 CB 1.501 14 residues pruned to eliminate duplicates V: 13 15.703 1.859 0.592 0.873 1.000 0.667 CB 1.115 13 residues pruned to eliminate duplicates W: 8 10.309 1.776 0.187 0.857 1.000 0.571 N 1.362 X: 18 26.084 2.132 0.480 0.939 1.000 0.941 CA 1.393 18 residues pruned to eliminate duplicates Y: 23 18.917 1.967 0.862 0.414 0.864 0.636 CB 1.395 Z: 9 13.391 1.919 0.202 0.804 1.000 0.875 CA 1.574 8 residues pruned to eliminate duplicates Z: 22 38.619 2.185 0.805 0.909 1.000 0.810 CA 1.517 22 residues pruned to eliminate duplicates Z: 19 16.865 1.936 0.739 0.460 0.889 0.667 CB 1.385 16 residues pruned to eliminate duplicates Z: 19 40.860 2.217 0.997 0.903 0.944 0.778 CA 1.641 19 residues pruned to eliminate duplicates Z: 21 27.590 2.040 0.636 0.935 0.950 0.650 CA 1.356 21 residues pruned to eliminate duplicates Z: 21 39.641 2.255 0.636 0.931 1.000 1.000 CA 1.679 21 residues pruned to eliminate duplicates Z: 10 15.686 1.907 0.591 0.907 1.000 1.000 CB 1.225 Z: 31 25.591 2.114 0.722 0.448 0.900 0.467 CB 1.504 Z: 22 30.356 2.094 0.546 0.930 1.000 0.905 CA 1.431 22 residues pruned to eliminate duplicates Z: 20 47.467 2.300 0.925 0.944 1.000 0.895 CB 1.703 20 residues pruned to eliminate duplicates Z: 6 9.349 1.862 0.334 0.754 1.000 0.400 O 1.343 6 residues pruned to eliminate duplicates Z: 10 14.961 1.826 0.478 0.843 1.000 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 21 42.752 2.253 0.749 0.933 1.000 0.950 CA 1.693 21 residues pruned to eliminate duplicates Z: 33 19.246 2.118 0.535 0.338 0.844 0.531 CB 1.480 23 residues pruned to eliminate duplicates Z: 21 23.235 1.881 0.672 0.862 0.950 0.650 CA 1.276 21 residues pruned to eliminate duplicates Z: 11 11.038 2.116 0.850 0.389 0.800 0.500 CB 1.254 11 residues pruned to eliminate duplicates Z: 22 35.050 2.132 0.776 0.834 0.952 0.381 CB 1.590 22 residues pruned to eliminate duplicates Z: 17 30.862 2.156 0.870 0.905 1.000 0.750 CB 1.363 17 residues pruned to eliminate duplicates Z: 20 46.591 2.245 1.188 0.899 1.000 0.474 CB 1.556 20 residues pruned to eliminate duplicates Z: 13 16.394 1.956 0.752 0.894 1.000 0.500 CB 0.991 13 residues pruned to eliminate duplicates Z: 21 43.052 2.271 0.818 0.913 1.000 0.900 CB 1.650 21 residues pruned to eliminate duplicates Z: 30 24.928 1.980 0.989 0.507 0.931 0.621 CA 1.254 29 residues pruned to eliminate duplicates Z: 26 14.608 1.954 0.376 0.472 0.920 0.600 CB 1.215 26 residues pruned to eliminate duplicates Z: 19 29.544 2.045 0.669 0.871 1.000 0.722 CB 1.488 19 residues pruned to eliminate duplicates Z: 26 19.899 1.928 0.695 0.494 0.920 0.560 CB 1.333 19 residues pruned to eliminate duplicates Z: 19 41.577 2.229 1.020 0.953 1.000 0.500 CB 1.498 21 residues pruned to eliminate duplicates Z: 11 17.321 2.046 0.874 0.884 0.900 0.700 CB 1.147 11 residues pruned to eliminate duplicates Z: 22 33.226 2.149 0.734 0.941 0.952 0.667 CB 1.418 22 residues pruned to eliminate duplicates Z: 13 12.213 1.862 0.638 0.806 0.750 0.333 CB 1.180 13 residues pruned to eliminate duplicates Z: 20 43.480 2.270 0.911 0.907 1.000 0.632 CB 1.634 20 residues pruned to eliminate duplicates Z: 22 30.747 2.168 0.415 0.946 1.000 0.905 CB 1.513 22 residues pruned to eliminate duplicates Z: 34 16.957 2.069 0.425 0.338 0.879 0.636 CB 1.361 34 residues pruned to eliminate duplicates Z: 6 3.703 1.808 0.381 0.494 0.600 0.600 CB 1.112 6 residues pruned to eliminate duplicates Z: 8 6.070 1.727 0.525 0.554 0.714 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 22 26.544 1.964 0.480 0.882 0.952 0.857 CB 1.514 22 residues pruned to eliminate duplicates Z: 32 16.917 1.999 0.555 0.389 0.710 0.452 CB 1.550 31 residues pruned to eliminate duplicates Z: 23 29.883 2.121 0.521 0.910 0.955 0.682 CB 1.467 21 residues pruned to eliminate duplicates Z: 17 11.719 1.859 0.300 0.408 1.000 0.688 CB 1.336 Z: 16 4.794 1.464 0.125 0.378 0.867 0.467 CB 0.988 Z: 32 31.691 2.070 0.538 0.720 0.935 0.839 CB 1.566 32 residues pruned to eliminate duplicates Z: 12 15.435 2.021 0.425 0.887 1.000 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 24 19.668 1.985 0.841 0.402 0.913 0.565 CA 1.363 23 residues pruned to eliminate duplicates Z: 8 5.236 1.720 0.347 0.376 0.714 0.286 CA 1.365 8 residues pruned to eliminate duplicates Z: 21 37.497 2.184 0.753 0.933 1.000 0.600 CB 1.528 21 residues pruned to eliminate duplicates Z: 23 27.815 1.946 0.446 0.915 1.000 0.955 CB 1.490 23 residues pruned to eliminate duplicates Z: 65 25.900 2.027 0.494 0.370 0.875 0.484 CB 1.405 54 residues pruned to eliminate duplicates Z: 21 34.489 2.029 0.818 0.916 1.000 0.850 CB 1.477 21 residues pruned to eliminate duplicates Z: 23 9.474 1.870 0.224 0.304 0.864 0.409 CB 1.271 15 residues pruned to eliminate duplicates Z: 8 8.058 2.009 -0.106 0.861 0.857 0.571 CB 1.453 8 residues pruned to eliminate duplicates Z: 21 46.954 2.250 0.980 0.929 1.000 0.750 CB 1.650 21 residues pruned to eliminate duplicates Z: 19 18.497 1.998 0.820 0.501 0.889 0.778 CB 1.347 20 residues pruned to eliminate duplicates Z: 20 43.862 2.249 0.855 0.916 1.000 0.789 CB 1.703 20 residues pruned to eliminate duplicates Z: 19 34.517 2.199 0.906 0.910 0.889 0.778 CB 1.549 19 residues pruned to eliminate duplicates Z: 53 35.975 2.052 0.710 0.511 0.942 0.731 CA 1.492 49 residues pruned to eliminate duplicates Z: 12 13.897 2.269 0.561 0.366 1.000 0.545 CB 1.366 12 residues pruned to eliminate duplicates Z: 22 30.197 2.005 0.655 0.916 1.000 0.857 CB 1.403 22 residues pruned to eliminate duplicates Z: 12 16.509 1.992 0.704 0.585 1.000 0.727 CB 1.352 12 residues pruned to eliminate duplicates Z: 8 6.989 1.923 0.301 0.530 0.714 0.571 CB 1.436 Z: 14 8.347 1.809 0.335 0.518 0.846 0.538 CB 1.113 14 residues pruned to eliminate duplicates Z: 13 10.216 1.980 0.375 0.479 1.000 0.583 CB 1.107 13 residues pruned to eliminate duplicates Z: 20 27.881 1.953 0.795 0.855 0.947 0.526 CA 1.421 20 residues pruned to eliminate duplicates Z: 10 10.803 1.784 0.465 0.480 1.000 0.556 CB 1.405 Z: 11 8.110 1.893 0.583 0.459 0.800 0.600 CB 1.116 Z: 33 18.619 1.993 0.546 0.362 0.875 0.500 CB 1.415 33 residues pruned to eliminate duplicates Z: 54 34.159 2.043 0.605 0.606 0.943 0.585 CA 1.371 43 residues pruned to eliminate duplicates Z: 20 40.994 2.279 0.710 0.931 1.000 0.947 CB 1.687 20 residues pruned to eliminate duplicates Z: 16 18.583 2.034 0.654 0.621 0.867 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 22 29.545 2.102 0.518 0.903 1.000 0.619 CB 1.439 22 residues pruned to eliminate duplicates Z: 9 7.985 1.704 0.094 0.750 0.875 0.625 C 1.383 9 residues pruned to eliminate duplicates Z: 21 30.835 2.054 0.792 0.895 1.000 0.500 CB 1.343 21 residues pruned to eliminate duplicates Z: 15 10.970 2.048 0.386 0.421 0.786 0.500 CB 1.428 Z: 34 25.224 2.020 0.597 0.519 0.970 0.636 CB 1.377 35 residues pruned to eliminate duplicates Z: 9 12.394 1.858 0.368 0.819 0.875 0.750 CB 1.494 7 residues pruned to eliminate duplicates Z: 8 14.501 1.993 0.697 0.523 1.000 0.571 CA 1.583 Z: 29 12.327 1.901 0.205 0.356 0.929 0.536 CB 1.280 26 residues pruned to eliminate duplicates Z: 13 26.965 2.009 0.963 0.857 1.000 0.333 CA 1.454 13 residues pruned to eliminate duplicates Z: 57 24.759 2.062 0.526 0.382 0.857 0.554 CB 1.391 49 residues pruned to eliminate duplicates Z: 21 36.931 2.177 0.759 0.904 0.950 0.600 CA 1.616 21 residues pruned to eliminate duplicates Z: 21 36.350 2.045 1.003 0.942 1.000 0.600 CB 1.377 21 residues pruned to eliminate duplicates Z: 19 9.547 1.773 0.519 0.433 0.778 0.444 CA 1.152 Z: 31 20.223 2.112 0.463 0.442 0.867 0.500 CB 1.464 31 residues pruned to eliminate duplicates Z: 21 27.090 2.070 0.584 0.875 0.950 0.800 CB 1.414 21 residues pruned to eliminate duplicates Z: 20 13.057 1.907 0.313 0.535 1.000 0.737 CB 1.156 20 residues pruned to eliminate duplicates Z: 22 34.886 2.030 0.750 0.919 1.000 0.952 CB 1.510 22 residues pruned to eliminate duplicates Z: 20 35.682 2.066 1.070 0.922 1.000 0.579 CB 1.346 20 residues pruned to eliminate duplicates Z: 19 31.193 2.085 0.755 0.924 1.000 0.944 CA 1.411 19 residues pruned to eliminate duplicates Z: 21 32.916 2.051 0.812 0.912 1.000 0.850 CB 1.403 21 residues pruned to eliminate duplicates Z: 26 23.645 2.114 0.794 0.394 0.920 0.560 CB 1.515 26 residues pruned to eliminate duplicates Z: 20 15.432 1.917 0.672 0.427 0.895 0.737 CB 1.331 20 residues pruned to eliminate duplicates Z: 64 35.945 2.060 0.547 0.565 0.889 0.619 CB 1.501 64 residues pruned to eliminate duplicates Z: 22 38.662 2.197 0.923 0.930 0.952 0.810 CB 1.466 22 residues pruned to eliminate duplicates Z: 13 10.528 2.020 0.524 0.518 0.750 0.333 CB 1.292 13 residues pruned to eliminate duplicates Z: 19 12.139 1.967 0.682 0.367 0.833 0.333 CB 1.197 19 residues pruned to eliminate duplicates Z: 20 6.403 1.716 0.061 0.328 0.895 0.526 CB 1.088 20 residues pruned to eliminate duplicates Z: 32 33.021 2.079 0.544 0.736 0.968 0.742 CB 1.545 32 residues pruned to eliminate duplicates Z: 7 7.881 1.939 0.252 0.544 1.000 0.667 CB 1.270 Z: 10 11.686 1.912 0.485 0.665 1.000 0.778 CB 1.177 Z: 13 7.953 1.813 0.373 0.404 0.833 0.500 CB 1.224 13 residues pruned to eliminate duplicates Z: 20 17.396 1.967 0.389 0.838 0.842 0.632 CA 1.296 20 residues pruned to eliminate duplicates Z: 64 48.729 2.047 0.942 0.633 0.984 0.603 CB 1.385 31 residues pruned to eliminate duplicates Z: 22 39.060 2.191 0.979 0.903 1.000 0.667 CB 1.401 22 residues pruned to eliminate duplicates Z: 18 8.920 1.874 0.324 0.427 0.882 0.353 CB 1.066 Z: 23 36.233 2.172 0.591 0.922 1.000 0.773 CB 1.572 22 residues pruned to eliminate duplicates Z: 41 17.423 1.913 0.437 0.404 0.875 0.525 CB 1.268 41 residues pruned to eliminate duplicates Z: 25 11.209 1.755 0.594 0.411 0.833 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 78 38.237 2.019 0.525 0.569 0.948 0.688 CA 1.396 78 residues pruned to eliminate duplicates Z: 32 28.959 2.024 0.453 0.736 0.968 0.871 CA 1.479 32 residues pruned to eliminate duplicates Z: 19 14.588 1.857 0.617 0.476 1.000 0.611 CB 1.174 19 residues pruned to eliminate duplicates Z: 36 15.808 2.084 0.482 0.341 0.714 0.429 CB 1.440 26 residues pruned to eliminate duplicates Z: 21 20.678 1.949 0.318 0.914 1.000 0.950 CA 1.273 21 residues pruned to eliminate duplicates Z: 7 15.096 2.158 0.938 0.530 1.000 0.667 CB 1.430 7 residues pruned to eliminate duplicates Z: 25 25.523 2.192 0.760 0.399 0.917 0.542 CB 1.638 25 residues pruned to eliminate duplicates Z: 73 41.296 2.063 0.579 0.593 0.931 0.653 CA 1.468 73 residues pruned to eliminate duplicates Z: 24 14.825 1.972 0.430 0.397 0.870 0.696 CB 1.404 24 residues pruned to eliminate duplicates Z: 38 14.106 2.033 0.427 0.323 0.784 0.405 CB 1.239 38 residues pruned to eliminate duplicates Z: 33 16.847 1.933 0.465 0.448 0.812 0.594 CA 1.365 19 residues pruned to eliminate duplicates Z: 20 17.462 2.085 0.905 0.312 0.842 0.579 CA 1.475 20 residues pruned to eliminate duplicates Z: 12 14.768 1.843 0.519 0.920 1.000 0.909 CB 1.120 12 residues pruned to eliminate duplicates Z: 12 8.972 1.741 0.619 0.582 0.909 0.727 CB 0.976 Z: 10 13.407 1.870 0.819 0.656 1.000 0.889 CB 1.137 10 residues pruned to eliminate duplicates Z: 37 21.147 1.864 0.745 0.484 0.861 0.500 CB 1.278 37 residues pruned to eliminate duplicates Z: 21 44.824 2.248 0.898 0.892 1.000 0.550 CB 1.688 21 residues pruned to eliminate duplicates Z: 16 11.648 1.808 0.596 0.417 0.933 0.733 CB 1.218 Z: 25 15.583 1.999 0.497 0.510 0.833 0.667 CB 1.264 25 residues pruned to eliminate duplicates Z: 18 29.422 2.132 0.808 0.926 0.941 0.765 CA 1.379 18 residues pruned to eliminate duplicates Z: 31 20.852 1.861 0.755 0.428 0.933 0.567 CB 1.346 30 residues pruned to eliminate duplicates Z: 22 38.679 2.015 0.944 0.934 1.000 0.952 CB 1.503 22 residues pruned to eliminate duplicates Z: 23 36.182 2.125 0.829 0.936 0.955 0.773 CB 1.448 23 residues pruned to eliminate duplicates Z: 8 19.370 2.058 0.963 0.742 1.000 0.857 CA 1.459 Z: 14 13.264 2.004 0.640 0.328 0.846 0.462 CA 1.598 14 residues pruned to eliminate duplicates Z: 7 10.591 1.984 0.559 0.706 1.000 0.833 CB 1.160 7 residues pruned to eliminate duplicates Z: 23 14.319 2.004 0.614 0.359 0.909 0.500 CB 1.209 Z: 14 8.900 1.806 0.384 0.395 0.769 0.462 CA 1.435 14 residues pruned to eliminate duplicates Z: 39 17.074 1.983 0.367 0.378 0.921 0.632 CB 1.263 21 residues pruned to eliminate duplicates Z: 17 12.491 1.898 0.571 0.441 0.875 0.562 CA 1.272 17 residues pruned to eliminate duplicates Z: 34 21.461 2.012 0.485 0.476 0.939 0.606 CB 1.363 34 residues pruned to eliminate duplicates Z: 16 7.321 1.995 0.399 0.351 0.600 0.533 CB 1.326 16 residues pruned to eliminate duplicates Z: 18 16.300 2.081 0.536 0.399 0.882 0.588 CB 1.560 18 residues pruned to eliminate duplicates Z: 15 15.589 1.929 0.777 0.476 0.929 0.714 CA 1.340 15 residues pruned to eliminate duplicates Z: 39 19.331 1.899 0.428 0.467 0.921 0.658 CB 1.299 35 residues pruned to eliminate duplicates Z: 21 26.577 2.039 0.469 0.927 1.000 0.950 CA 1.390 21 residues pruned to eliminate duplicates Z: 11 21.242 2.098 0.912 0.863 0.900 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 69 35.439 1.982 0.557 0.592 0.926 0.647 CA 1.376 63 residues pruned to eliminate duplicates Z: 11 11.661 1.602 0.675 0.885 1.000 0.800 CA 0.992 12 residues pruned to eliminate duplicates Z: 18 11.736 2.020 0.566 0.346 0.882 0.529 CB 1.206 8 residues pruned to eliminate duplicates Z: 6 6.018 1.846 0.543 0.596 0.800 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 20 48.419 2.260 1.051 0.945 1.000 0.895 CB 1.658 20 residues pruned to eliminate duplicates Z: 22 22.061 2.045 0.735 0.583 0.905 0.619 CB 1.385 22 residues pruned to eliminate duplicates Z: 21 39.777 2.235 0.710 0.897 1.000 0.900 CA 1.666 21 residues pruned to eliminate duplicates Z: 19 10.366 1.685 0.487 0.378 0.889 0.667 CA 1.250 Z: 14 16.742 2.256 0.820 0.309 0.923 0.615 CB 1.514 14 residues pruned to eliminate duplicates Z: 8 6.263 1.702 0.220 0.616 0.857 0.571 N 1.191 10 residues pruned to eliminate duplicates Z: 13 6.617 1.812 0.230 0.464 0.833 0.333 CB 1.067 12 residues pruned to eliminate duplicates Z: 7 6.075 2.033 -0.114 0.586 1.000 0.833 CB 1.269 6 residues pruned to eliminate duplicates Z: 23 19.141 2.001 0.578 0.570 0.955 0.727 CB 1.265 23 residues pruned to eliminate duplicates Z: 11 11.166 2.043 0.606 0.364 1.000 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 15 8.897 1.912 0.392 0.384 0.786 0.571 CB 1.285 13 residues pruned to eliminate duplicates Z: 22 41.098 2.207 0.766 0.903 1.000 0.762 CA 1.641 22 residues pruned to eliminate duplicates Z: 6 4.651 1.724 -0.125 0.709 0.800 0.800 CB 1.426 6 residues pruned to eliminate duplicates Z: 53 36.946 1.968 0.816 0.594 0.942 0.577 CB 1.391 47 residues pruned to eliminate duplicates Z: 50 21.729 1.999 0.427 0.393 0.857 0.592 CB 1.421 50 residues pruned to eliminate duplicates Z: 21 16.091 1.986 0.535 0.465 0.900 0.600 CA 1.358 21 residues pruned to eliminate duplicates Z: 19 25.751 2.058 0.655 0.915 0.944 0.500 CA 1.333 19 residues pruned to eliminate duplicates Z: 6 4.911 1.338 0.643 0.685 0.800 0.400 CA 1.054 6 residues pruned to eliminate duplicates Z: 7 10.224 1.999 0.543 0.662 0.833 0.500 CB 1.397 8 residues pruned to eliminate duplicates Z: 19 12.274 1.912 0.555 0.419 0.889 0.444 CB 1.191 19 residues pruned to eliminate duplicates Z: 13 20.544 2.066 0.794 0.911 0.917 0.750 CB 1.237 13 residues pruned to eliminate duplicates Z: 21 35.032 2.062 0.907 0.925 1.000 0.950 CB 1.398 21 residues pruned to eliminate duplicates Z: 11 11.259 1.897 0.122 0.918 1.000 1.000 CA 1.179 11 residues pruned to eliminate duplicates Z: 25 21.593 2.088 0.500 0.459 0.958 0.542 CA 1.530 25 residues pruned to eliminate duplicates Z: 42 24.467 2.053 0.629 0.440 0.902 0.561 CB 1.347 38 residues pruned to eliminate duplicates Z: 17 11.402 1.975 0.427 0.416 0.875 0.500 CB 1.263 14 residues pruned to eliminate duplicates Z: 21 11.848 1.764 0.584 0.445 0.900 0.500 CB 1.116 10 residues pruned to eliminate duplicates Z: 22 32.737 2.113 0.694 0.921 0.952 0.667 CB 1.475 22 residues pruned to eliminate duplicates Z: 20 16.983 1.964 0.527 0.590 0.895 0.632 CA 1.333 20 residues pruned to eliminate duplicates Z: 32 38.688 2.096 0.985 0.730 0.968 0.742 CB 1.404 32 residues pruned to eliminate duplicates Z: 11 14.712 1.618 0.691 0.825 1.000 0.700 CA 1.283 10 residues pruned to eliminate duplicates Z: 40 29.212 1.994 0.454 0.624 0.949 0.769 CB 1.512 40 residues pruned to eliminate duplicates Z: 10 12.017 1.925 0.695 0.635 1.000 0.778 CA 1.082 11 residues pruned to eliminate duplicates Z: 20 43.650 2.179 0.939 0.941 1.000 0.789 CB 1.645 20 residues pruned to eliminate duplicates Z: 16 15.500 1.948 0.603 0.553 0.933 0.667 CB 1.305 16 residues pruned to eliminate duplicates Z: 9 12.066 1.729 0.393 0.873 1.000 0.875 CA 1.290 9 residues pruned to eliminate duplicates Z: 21 14.313 1.928 0.500 0.405 0.900 0.650 CA 1.359 21 residues pruned to eliminate duplicates Z: 73 45.599 2.143 0.762 0.608 0.875 0.542 CB 1.468 74 residues pruned to eliminate duplicates Z: 11 17.024 1.936 0.954 0.806 1.000 0.800 CB 1.090 11 residues pruned to eliminate duplicates Z: 6 3.536 1.475 0.354 0.469 0.800 0.600 CB 1.022 4 residues pruned to eliminate duplicates Z: 9 12.636 1.868 0.858 0.470 0.875 0.750 N 1.517 10 residues pruned to eliminate duplicates Z: 29 30.042 2.087 0.566 0.668 0.929 0.821 CA 1.602 29 residues pruned to eliminate duplicates Z: 14 13.231 2.061 0.637 0.330 1.000 0.538 CB 1.310 14 residues pruned to eliminate duplicates Z: 33 18.515 1.924 0.571 0.456 0.844 0.500 CB 1.342 32 residues pruned to eliminate duplicates Z: 22 28.521 2.091 0.461 0.910 1.000 0.810 CB 1.445 22 residues pruned to eliminate duplicates Z: 34 23.342 2.018 0.618 0.512 0.939 0.667 CB 1.308 34 residues pruned to eliminate duplicates Z: 14 12.641 1.810 0.616 0.575 0.923 0.692 CA 1.208 14 residues pruned to eliminate duplicates Z: 8 9.272 1.787 0.678 0.631 1.000 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 12 17.438 1.939 0.946 0.627 0.909 0.727 CB 1.360 12 residues pruned to eliminate duplicates Z: 35 22.457 2.008 0.495 0.482 0.941 0.588 CB 1.388 35 residues pruned to eliminate duplicates Z: 30 14.131 2.044 0.436 0.295 0.828 0.586 CB 1.359 30 residues pruned to eliminate duplicates Z: 10 3.962 1.706 -0.167 0.414 0.889 0.333 CB 1.144 10 residues pruned to eliminate duplicates Z: 28 21.173 1.958 0.864 0.369 0.926 0.556 CA 1.388 28 residues pruned to eliminate duplicates Z: 12 5.134 1.559 0.457 0.408 0.727 0.455 CB 1.033 Z: 7 4.692 1.710 0.583 0.456 0.667 0.500 CB 1.110 7 residues pruned to eliminate duplicates Z: 7 8.380 1.538 0.420 0.846 1.000 0.500 CA 1.163 7 residues pruned to eliminate duplicates Z: 9 6.680 1.646 0.283 0.650 1.000 0.500 CB 0.972 Z: 12 14.427 2.045 0.795 0.534 0.818 0.545 CA 1.400 12 residues pruned to eliminate duplicates Z: 15 10.603 2.008 0.463 0.288 0.929 0.429 CB 1.318 15 residues pruned to eliminate duplicates Z: 10 7.145 1.934 0.274 0.474 0.889 0.556 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 10.777 1.487 0.834 0.780 1.000 0.833 N 1.260 Z: 13 7.222 1.718 0.206 0.555 0.750 0.417 CB 1.272 13 residues pruned to eliminate duplicates Z: 14 12.006 1.764 0.347 0.506 1.000 0.615 CB 1.394 14 residues pruned to eliminate duplicates Z: 22 17.633 1.881 0.830 0.511 0.905 0.619 CB 1.222 22 residues pruned to eliminate duplicates Z: 38 15.914 2.059 0.409 0.329 0.811 0.514 CB 1.342 38 residues pruned to eliminate duplicates Z: 32 14.784 1.916 0.363 0.424 0.903 0.452 CB 1.218 32 residues pruned to eliminate duplicates Z: 22 23.008 2.025 0.564 0.624 0.952 0.667 CB 1.480 22 residues pruned to eliminate duplicates Z: 65 22.734 1.911 0.450 0.438 0.891 0.562 CB 1.227 66 residues pruned to eliminate duplicates Z: 11 9.321 1.584 0.703 0.809 0.900 0.800 CA 0.927 11 residues pruned to eliminate duplicates Z: 20 10.199 1.834 0.346 0.368 0.895 0.579 CB 1.221 8 residues pruned to eliminate duplicates Z: 12 12.406 1.968 0.745 0.435 0.909 0.545 CB 1.282 13 residues pruned to eliminate duplicates Z: 8 7.218 1.761 0.071 0.570 1.000 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 29 12.625 1.899 0.298 0.393 0.893 0.571 CB 1.213 29 residues pruned to eliminate duplicates Z: 20 35.566 2.122 0.944 0.933 1.000 0.684 CB 1.380 20 residues pruned to eliminate duplicates Z: 6 5.878 1.899 0.717 0.322 0.800 0.800 CA 1.226 6 residues pruned to eliminate duplicates Z: 20 12.807 1.880 0.605 0.392 0.895 0.737 CB 1.220 21 residues pruned to eliminate duplicates Z: 30 17.708 2.064 0.949 0.334 0.828 0.483 CB 1.184 30 residues pruned to eliminate duplicates Z: 6 9.621 1.981 0.556 0.781 0.800 0.800 CB 1.362 7 residues pruned to eliminate duplicates Z: 18 14.643 1.894 0.196 0.884 0.941 0.882 CA 1.204 18 residues pruned to eliminate duplicates Z: 19 11.462 1.928 0.399 0.284 0.889 0.444 CA 1.437 19 residues pruned to eliminate duplicates Z: 21 25.906 2.001 0.601 0.915 0.950 0.800 CA 1.345 21 residues pruned to eliminate duplicates Z: 7 7.823 1.911 0.211 0.579 1.000 0.833 CB 1.280 7 residues pruned to eliminate duplicates Z: 7 4.918 1.686 0.117 0.590 0.667 0.667 N 1.467 7 residues pruned to eliminate duplicates Z: 18 25.479 2.087 0.575 0.825 0.941 0.647 CA 1.508 18 residues pruned to eliminate duplicates Z: 10 3.743 1.555 0.614 0.252 0.556 0.333 CB 1.191 10 residues pruned to eliminate duplicates Z: 6 2.713 1.739 -0.379 0.588 1.000 0.400 CB 1.032 Z: 54 23.141 2.056 0.538 0.363 0.887 0.528 CB 1.314 54 residues pruned to eliminate duplicates Z: 19 13.940 2.094 0.523 0.346 0.889 0.556 CB 1.370 19 residues pruned to eliminate duplicates Z: 19 46.698 2.251 1.180 0.943 0.944 0.778 CA 1.646 19 residues pruned to eliminate duplicates Z: 6 7.280 1.769 0.173 0.855 1.000 0.800 CB 1.158 6 residues pruned to eliminate duplicates Z: 11 4.728 1.586 0.411 0.423 0.900 0.600 CB 0.805 Z: 20 36.480 2.043 0.973 0.915 1.000 0.737 CA 1.467 20 residues pruned to eliminate duplicates Z: 6 6.701 1.441 0.774 0.578 1.000 0.400 N 1.088 Z: 11 6.559 1.688 0.333 0.429 1.000 0.700 CB 0.993 8 residues pruned to eliminate duplicates Z: 6 7.925 1.946 0.343 0.656 0.800 0.800 CB 1.466 6 residues pruned to eliminate duplicates Z: 34 28.063 1.919 0.635 0.688 0.909 0.636 CA 1.441 34 residues pruned to eliminate duplicates Z: 15 4.033 1.647 0.198 0.260 0.786 0.571 CB 0.915 Z: 14 12.570 1.987 0.576 0.420 0.923 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 13 16.549 2.091 0.308 0.914 1.000 1.000 CA 1.235 13 residues pruned to eliminate duplicates 6 1.732 1.446 0.231 0.298 0.600 0.600 CA 0.910 ? Z: 15 5.644 1.714 0.123 0.407 0.786 0.500 CB 1.098 15 residues pruned to eliminate duplicates Z: 12 12.296 1.796 0.386 0.922 1.000 0.909 CB 1.047 12 residues pruned to eliminate duplicates Z: 6 4.182 2.010 -0.096 0.376 1.000 0.400 CA 1.175 6 residues pruned to eliminate duplicates Z: 11 10.706 1.933 0.661 0.407 0.800 0.500 CB 1.454 11 residues pruned to eliminate duplicates Z: 8 7.000 1.544 0.315 0.562 1.000 0.429 N 1.227 8 residues pruned to eliminate duplicates Z: 10 11.751 1.889 0.648 0.455 0.889 0.556 CA 1.483 9 residues pruned to eliminate duplicates Z: 18 32.715 2.163 0.773 0.857 0.941 0.588 CA 1.620 18 residues pruned to eliminate duplicates Z: 18 10.748 1.703 0.515 0.531 1.000 0.588 CB 0.979 19 residues pruned to eliminate duplicates Z: 13 14.089 1.925 0.516 0.612 0.833 0.417 CB 1.504 13 residues pruned to eliminate duplicates Z: 8 12.990 2.029 0.990 0.667 0.857 0.571 CA 1.215 8 residues pruned to eliminate duplicates Z: 26 17.597 2.013 0.761 0.392 0.840 0.480 CB 1.325 17 residues pruned to eliminate duplicates Z: 19 23.129 2.013 0.498 0.925 0.944 0.667 CA 1.343 19 residues pruned to eliminate duplicates Z: 7 7.749 1.461 0.634 0.866 1.000 1.000 CA 0.970 7 residues pruned to eliminate duplicates Z: 17 8.250 1.819 0.454 0.309 0.812 0.500 CB 1.186 17 residues pruned to eliminate duplicates Z: 32 24.450 2.027 0.666 0.419 0.935 0.484 CB 1.513 32 residues pruned to eliminate duplicates Z: 30 11.840 1.825 0.357 0.362 0.931 0.483 CB 1.106 11 residues pruned to eliminate duplicates Z: 7 10.768 1.811 0.608 0.759 1.000 0.500 CA 1.199 Z: 27 15.463 1.893 0.393 0.407 0.923 0.577 CA 1.372 27 residues pruned to eliminate duplicates Z: 12 6.548 1.713 0.538 0.363 0.636 0.455 CB 1.364 9 residues pruned to eliminate duplicates Z: 7 4.140 1.683 0.475 0.245 0.833 0.667 CA 1.096 7 residues pruned to eliminate duplicates Z: 45 31.375 2.118 0.679 0.523 0.932 0.523 CB 1.395 47 residues pruned to eliminate duplicates Z: 7 5.633 1.740 0.668 0.481 0.667 0.500 CB 1.212 Z: 15 10.297 1.911 0.402 0.453 0.857 0.500 CA 1.257 15 residues pruned to eliminate duplicates Z: 19 18.795 1.891 0.693 0.567 0.889 0.722 CB 1.460 19 residues pruned to eliminate duplicates Z: 22 28.092 2.114 0.468 0.846 1.000 0.619 CA 1.467 22 residues pruned to eliminate duplicates Z: 11 7.090 1.721 0.715 0.273 0.800 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 10 7.710 1.990 0.376 0.464 0.667 0.444 CA 1.462 10 residues pruned to eliminate duplicates Z: 11 8.987 1.854 0.352 0.458 1.000 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 31 30.697 2.019 0.515 0.749 0.933 0.833 CB 1.571 31 residues pruned to eliminate duplicates Z: 7 4.515 1.680 0.015 0.643 1.000 0.667 CB 0.946 Z: 21 33.541 2.034 1.073 0.940 0.950 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 9 2.636 1.738 -0.117 0.330 0.875 0.500 CB 0.836 6 1.364 1.189 -0.081 0.323 1.000 0.600 N 0.679 ? Z: 30 21.770 2.063 0.609 0.432 0.862 0.483 CB 1.515 30 residues pruned to eliminate duplicates Z: 7 9.420 1.444 0.773 0.824 1.000 0.667 CB 1.135 6 residues pruned to eliminate duplicates Z: 7 3.840 1.536 0.839 0.301 0.833 0.500 CB 0.832 11 residues pruned to eliminate duplicates Z: 25 8.507 1.751 0.155 0.376 0.875 0.417 CB 1.121 8 residues pruned to eliminate duplicates Z: 20 40.162 2.160 0.928 0.913 0.947 0.632 CB 1.653 20 residues pruned to eliminate duplicates Z: 9 5.379 1.790 0.535 0.383 0.750 0.625 CA 1.045 9 residues pruned to eliminate duplicates Z: 8 8.146 1.823 0.498 0.645 1.000 0.571 CA 0.985 8 residues pruned to eliminate duplicates Z: 16 20.054 1.998 0.511 0.924 0.933 0.867 CA 1.291 16 residues pruned to eliminate duplicates Z: 21 34.238 2.060 0.773 0.935 1.000 0.800 CA 1.461 21 residues pruned to eliminate duplicates Z: 20 46.776 2.229 1.209 0.933 0.947 0.421 CB 1.605 20 residues pruned to eliminate duplicates Z: 19 21.653 2.064 0.624 0.611 0.889 0.778 CA 1.541 19 residues pruned to eliminate duplicates Z: 8 10.957 2.103 0.591 0.350 0.857 0.571 CA 1.697 8 residues pruned to eliminate duplicates Z: 9 8.196 1.963 0.369 0.458 0.875 0.500 CB 1.287 9 residues pruned to eliminate duplicates Z: 12 11.447 1.712 1.010 0.496 0.818 0.545 CA 1.231 12 residues pruned to eliminate duplicates Z: 11 9.618 1.902 0.512 0.514 0.800 0.500 CB 1.303 11 residues pruned to eliminate duplicates Z: 56 44.836 2.087 0.793 0.628 0.945 0.600 CB 1.516 56 residues pruned to eliminate duplicates Z: 46 20.993 1.925 0.507 0.448 0.867 0.622 CB 1.313 46 residues pruned to eliminate duplicates Z: 12 8.047 1.540 0.916 0.297 0.909 0.455 CB 1.134 Z: 7 3.020 1.553 0.259 0.400 0.667 0.500 CB 1.051 Z: 12 8.118 1.945 0.553 0.348 0.818 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 29 21.682 1.975 0.240 0.640 0.964 0.821 CB 1.521 29 residues pruned to eliminate duplicates Z: 12 5.507 1.723 0.286 0.311 0.909 0.364 CB 1.016 Z: 20 32.750 2.184 0.797 0.938 1.000 0.684 CB 1.332 20 residues pruned to eliminate duplicates Z: 19 8.116 1.668 0.376 0.371 0.833 0.444 CB 1.148 19 residues pruned to eliminate duplicates Z: 16 11.179 1.795 0.499 0.452 1.000 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 17 6.375 1.774 0.264 0.347 0.750 0.438 CB 1.118 17 residues pruned to eliminate duplicates Z: 58 20.727 1.919 0.554 0.400 0.842 0.526 CB 1.215 60 residues pruned to eliminate duplicates Z: 11 4.837 1.903 0.686 0.395 0.500 0.500 CB 1.065 11 residues pruned to eliminate duplicates Z: 7 4.545 1.693 0.374 0.429 0.833 0.667 N 1.031 7 residues pruned to eliminate duplicates Z: 13 12.032 1.795 0.931 0.475 0.833 0.500 CB 1.233 13 residues pruned to eliminate duplicates Z: 11 11.294 1.887 0.075 0.899 1.000 0.800 CA 1.258 11 residues pruned to eliminate duplicates Z: 11 8.388 1.720 0.497 0.528 0.900 0.700 CB 1.114 Z: 6 6.556 1.843 0.595 0.525 0.800 0.600 CB 1.216 6 residues pruned to eliminate duplicates Z: 17 8.972 1.905 0.521 0.400 0.750 0.375 CB 1.147 17 residues pruned to eliminate duplicates Z: 19 9.195 1.841 0.300 0.391 0.833 0.556 CB 1.220 19 residues pruned to eliminate duplicates Z: 44 18.674 1.911 0.422 0.408 0.884 0.605 CB 1.306 44 residues pruned to eliminate duplicates Z: 21 19.648 2.015 0.328 0.592 0.950 0.700 CB 1.583 21 residues pruned to eliminate duplicates Z: 13 5.496 1.668 0.476 0.263 0.833 0.417 CA 1.013 13 residues pruned to eliminate duplicates Z: 26 20.129 1.933 0.695 0.526 0.920 0.680 CB 1.302 26 residues pruned to eliminate duplicates Z: 66 45.872 2.061 0.729 0.600 0.969 0.738 CB 1.498 66 residues pruned to eliminate duplicates Z: 9 5.944 1.505 0.420 0.418 1.000 0.625 CB 1.071 Z: 10 8.974 1.750 0.725 0.604 0.889 0.667 CA 1.010 12 residues pruned to eliminate duplicates 6 1.942 1.599 0.363 0.436 0.800 0.800 CB 0.532 ? Z: 34 14.028 1.911 0.418 0.452 0.848 0.545 CB 1.116 34 residues pruned to eliminate duplicates Z: 6 4.636 1.342 0.348 0.825 1.000 0.800 CA 0.865 Z: 7 20.314 2.229 1.397 0.576 1.000 0.333 CB 1.442 7 residues pruned to eliminate duplicates Z: 12 14.001 1.826 0.611 0.614 0.909 0.636 CA 1.418 12 residues pruned to eliminate duplicates Z: 7 6.336 1.657 0.196 0.697 1.000 0.333 CB 1.090 7 residues pruned to eliminate duplicates Z: 13 15.619 1.995 0.547 0.577 0.917 0.583 CA 1.479 13 residues pruned to eliminate duplicates Z: 8 12.858 2.112 0.814 0.294 1.000 0.429 CA 1.599 8 residues pruned to eliminate duplicates Z: 15 15.138 1.914 0.709 0.644 0.929 0.857 CB 1.165 15 residues pruned to eliminate duplicates Z: 21 31.551 2.076 0.638 0.939 1.000 0.950 CB 1.442 27 residues pruned to eliminate duplicates Z: 19 8.869 1.655 0.376 0.379 0.833 0.444 CA 1.254 19 residues pruned to eliminate duplicates Z: 15 10.644 1.902 0.334 0.415 0.929 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 18 12.532 1.748 0.604 0.564 0.941 0.765 CA 1.083 17 residues pruned to eliminate duplicates Z: 9 3.395 1.769 0.473 0.207 0.625 0.250 CB 1.042 9 residues pruned to eliminate duplicates Z: 24 30.996 2.158 0.540 0.869 0.957 0.826 CB 1.485 24 residues pruned to eliminate duplicates Z: 7 3.528 1.614 0.228 0.461 0.833 0.667 CB 0.908 7 residues pruned to eliminate duplicates Z: 6 4.905 2.057 -0.125 0.589 1.000 0.800 CB 1.119 6 residues pruned to eliminate duplicates Z: 25 21.492 2.148 0.722 0.432 0.875 0.542 CB 1.454 25 residues pruned to eliminate duplicates Z: 6 3.220 1.988 -0.166 0.379 1.000 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 32 33.503 2.038 0.600 0.697 1.000 0.774 CB 1.541 32 residues pruned to eliminate duplicates Z: 19 11.878 1.758 0.566 0.461 0.889 0.611 CB 1.191 19 residues pruned to eliminate duplicates Z: 11 10.023 1.881 0.534 0.489 0.900 0.700 CA 1.234 11 residues pruned to eliminate duplicates Z: 11 10.419 1.890 0.694 0.672 0.800 0.800 CB 1.098 14 residues pruned to eliminate duplicates Z: 6 9.458 1.878 0.452 0.757 0.800 0.600 CA 1.543 6 residues pruned to eliminate duplicates Z: 17 6.994 1.528 0.449 0.384 0.812 0.375 CB 1.100 15 residues pruned to eliminate duplicates Z: 15 17.213 2.173 0.929 0.412 0.929 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 21 31.639 1.955 0.977 0.890 0.950 0.400 CB 1.387 21 residues pruned to eliminate duplicates Z: 17 12.553 1.992 0.475 0.428 0.875 0.562 CB 1.315 17 residues pruned to eliminate duplicates Z: 13 8.711 1.741 0.580 0.369 0.917 0.417 CA 1.147 Z: 32 17.812 1.980 0.606 0.401 0.839 0.516 CB 1.332 32 residues pruned to eliminate duplicates Z: 52 42.491 2.074 0.767 0.629 0.961 0.784 CA 1.497 52 residues pruned to eliminate duplicates Z: 14 8.512 1.814 0.435 0.391 0.846 0.615 CB 1.202 14 residues pruned to eliminate duplicates Z: 23 25.846 2.088 0.424 0.921 0.955 0.909 CB 1.366 23 residues pruned to eliminate duplicates Z: 64 41.952 2.034 0.734 0.572 0.937 0.714 CA 1.492 61 residues pruned to eliminate duplicates Z: 8 7.675 1.881 0.028 0.748 1.000 0.857 CA 1.202 8 residues pruned to eliminate duplicates Z: 16 14.565 2.016 0.393 0.486 0.933 0.467 CA 1.456 16 residues pruned to eliminate duplicates Z: 9 9.275 1.882 0.280 0.880 0.875 0.625 CA 1.128 9 residues pruned to eliminate duplicates Z: 17 21.737 1.880 0.601 0.898 0.938 0.750 CB 1.378 17 residues pruned to eliminate duplicates Z: 16 11.438 2.006 0.336 0.414 0.800 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 6 11.177 2.078 0.152 0.718 1.000 0.800 CB 1.715 6 residues pruned to eliminate duplicates Z: 7 8.354 2.022 0.259 0.624 1.000 0.667 CA 1.192 7 residues pruned to eliminate duplicates Z: 36 12.941 1.978 0.483 0.310 0.714 0.486 CB 1.289 36 residues pruned to eliminate duplicates Z: 24 15.676 1.923 0.475 0.392 0.957 0.609 CA 1.350 24 residues pruned to eliminate duplicates Z: 22 12.930 1.849 0.740 0.334 0.857 0.476 CB 1.226 16 residues pruned to eliminate duplicates Z: 15 14.429 1.959 0.399 0.588 0.929 0.643 CB 1.393 15 residues pruned to eliminate duplicates Z: 8 6.981 1.389 1.026 0.518 0.857 0.571 CA 1.075 Z: 7 3.979 1.513 0.034 0.525 0.833 0.667 CA 1.215 7 residues pruned to eliminate duplicates Z: 41 20.800 1.841 0.685 0.468 0.900 0.650 CB 1.217 41 residues pruned to eliminate duplicates Z: 11 7.758 1.809 0.567 0.374 0.900 0.400 CB 1.100 11 residues pruned to eliminate duplicates 6 1.536 1.441 0.133 0.262 0.600 0.400 C 0.920 ? Z: 26 20.804 2.171 0.528 0.370 0.960 0.520 CA 1.502 26 residues pruned to eliminate duplicates Z: 37 46.865 2.175 0.771 0.803 1.000 0.806 CA 1.556 37 residues pruned to eliminate duplicates Z: 14 8.004 1.907 0.589 0.322 0.923 0.538 CB 0.966 14 residues pruned to eliminate duplicates Z: 20 18.713 1.995 0.454 0.592 0.947 0.684 CA 1.431 20 residues pruned to eliminate duplicates Z: 11 6.888 1.775 0.213 0.615 0.900 0.700 CB 1.009 11 residues pruned to eliminate duplicates Z: 7 3.982 1.349 0.276 0.437 1.000 0.500 CB 1.007 Z: 6 2.632 1.468 0.055 0.518 0.800 0.400 CB 0.933 Z: 15 13.604 1.865 0.664 0.471 0.929 0.571 CA 1.299 15 residues pruned to eliminate duplicates Z: 38 12.516 1.838 0.430 0.350 0.865 0.514 CB 1.065 52 residues pruned to eliminate duplicates Z: 8 4.719 1.635 0.028 0.607 0.857 0.857 CA 1.119 8 residues pruned to eliminate duplicates Z: 7 7.941 2.114 -0.087 0.867 1.000 0.500 CB 1.228 7 residues pruned to eliminate duplicates Z: 13 13.086 2.029 0.719 0.387 0.833 0.500 CB 1.466 13 residues pruned to eliminate duplicates Z: 17 13.902 1.948 0.390 0.530 0.875 0.688 CA 1.424 17 residues pruned to eliminate duplicates Z: 7 3.016 1.688 0.414 0.466 0.667 0.667 CB 0.802 Z: 10 15.896 1.769 0.980 0.868 1.000 1.000 CA 1.106 10 residues pruned to eliminate duplicates Z: 6 7.031 1.776 0.730 0.634 0.800 0.800 CB 1.127 Z: 25 11.820 1.818 0.610 0.419 0.875 0.667 CB 1.024 25 residues pruned to eliminate duplicates Z: 31 31.120 2.076 0.507 0.714 1.000 0.800 CB 1.495 31 residues pruned to eliminate duplicates Z: 10 6.874 1.780 0.322 0.534 0.778 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 18 17.176 1.943 0.372 0.500 1.000 0.706 CA 1.562 9 residues pruned to eliminate duplicates Z: 29 11.368 1.856 0.251 0.363 0.857 0.429 CB 1.251 29 residues pruned to eliminate duplicates Z: 12 8.855 1.616 0.826 0.368 0.909 0.545 CB 1.147 10 residues pruned to eliminate duplicates Z: 7 3.142 1.711 -0.199 0.689 0.833 0.667 N 0.944 Z: 6 4.810 1.576 0.293 0.732 0.800 0.800 CB 1.071 6 residues pruned to eliminate duplicates Z: 25 22.046 2.149 0.710 0.460 0.875 0.542 CB 1.458 25 residues pruned to eliminate duplicates Z: 9 3.745 1.708 0.388 0.182 0.750 0.375 CB 1.093 Z: 7 2.629 1.645 -0.079 0.677 0.667 0.500 CB 0.903 7 residues pruned to eliminate duplicates Z: 23 15.967 2.035 0.401 0.413 0.818 0.500 CA 1.598 23 residues pruned to eliminate duplicates Z: 12 10.509 1.828 0.676 0.457 1.000 0.455 CB 1.081 Z: 16 13.964 1.769 0.768 0.471 0.867 0.600 CA 1.370 16 residues pruned to eliminate duplicates Z: 17 9.496 1.864 0.291 0.349 0.875 0.625 CB 1.329 17 residues pruned to eliminate duplicates Z: 13 9.135 1.801 0.308 0.443 0.833 0.500 CA 1.425 13 residues pruned to eliminate duplicates Z: 6 5.778 1.748 0.735 0.631 0.800 0.800 CB 0.941 6 residues pruned to eliminate duplicates Z: 13 8.492 1.698 0.449 0.333 0.917 0.583 CA 1.305 13 residues pruned to eliminate duplicates Z: 15 7.652 1.589 0.824 0.365 0.714 0.429 CA 1.142 Z: 10 11.506 2.015 0.688 0.575 0.889 0.667 CB 1.180 10 residues pruned to eliminate duplicates Z: 9 13.160 1.880 0.565 0.881 1.000 0.625 CA 1.145 9 residues pruned to eliminate duplicates Z: 6 6.320 1.759 0.286 0.653 0.800 0.800 CB 1.354 5 residues pruned to eliminate duplicates Z: 6 9.495 1.907 0.308 0.654 1.000 0.600 CB 1.476 6 residues pruned to eliminate duplicates Z: 14 9.330 1.999 0.521 0.360 0.692 0.538 CA 1.430 14 residues pruned to eliminate duplicates Z: 6 2.848 1.052 0.582 0.803 1.000 0.800 N 0.587 Z: 6 2.380 1.589 -0.101 0.294 0.800 0.400 CA 1.172 Z: 25 11.527 1.827 0.557 0.302 0.958 0.458 CB 1.076 48 residues pruned to eliminate duplicates Z: 13 13.571 2.021 0.875 0.400 0.917 0.500 CA 1.253 13 residues pruned to eliminate duplicates Z: 9 3.013 1.864 -0.068 0.305 0.625 0.250 CB 1.219 9 residues pruned to eliminate duplicates Z: 12 8.383 1.687 0.260 0.574 0.909 0.545 CA 1.218 11 residues pruned to eliminate duplicates Z: 57 32.662 2.006 0.559 0.552 0.929 0.589 CB 1.428 60 residues pruned to eliminate duplicates Z: 7 6.388 2.014 0.528 0.380 0.667 0.167 CB 1.445 7 residues pruned to eliminate duplicates Z: 20 11.955 1.812 0.798 0.402 0.789 0.421 CB 1.182 20 residues pruned to eliminate duplicates Z: 23 16.183 2.062 0.379 0.493 0.864 0.636 CB 1.415 23 residues pruned to eliminate duplicates 7 1.813 1.500 0.248 0.262 0.500 0.500 CB 1.038 ? Z: 21 40.777 2.216 0.892 0.909 0.950 0.550 CB 1.625 21 residues pruned to eliminate duplicates Z: 7 3.002 1.617 0.075 0.466 1.000 0.667 CB 0.731 7 residues pruned to eliminate duplicates Z: 9 9.323 1.652 0.532 0.748 1.000 0.750 CB 1.043 8 residues pruned to eliminate duplicates Z: 16 12.769 1.913 0.481 0.429 0.933 0.467 CB 1.342 16 residues pruned to eliminate duplicates Z: 22 36.979 2.168 0.799 0.920 1.000 0.714 CB 1.457 22 residues pruned to eliminate duplicates Z: 16 8.505 1.677 0.622 0.428 0.800 0.400 CB 1.088 Z: 9 6.924 1.767 0.200 0.557 0.875 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 47 28.907 2.032 0.751 0.530 0.913 0.609 CB 1.274 47 residues pruned to eliminate duplicates Z: 21 20.259 2.067 0.625 0.453 0.900 0.750 CB 1.573 21 residues pruned to eliminate duplicates Z: 11 13.093 2.124 0.955 0.423 0.800 0.500 CB 1.351 11 residues pruned to eliminate duplicates Z: 20 26.603 2.037 0.678 0.942 0.947 0.789 CA 1.308 20 residues pruned to eliminate duplicates Z: 21 11.822 1.854 0.395 0.356 0.900 0.550 CA 1.327 21 residues pruned to eliminate duplicates Z: 9 7.355 1.670 0.254 0.531 1.000 0.500 CB 1.205 9 residues pruned to eliminate duplicates Z: 13 13.534 1.969 0.848 0.867 0.667 0.333 CB 1.178 13 residues pruned to eliminate duplicates Z: 16 11.646 2.074 0.538 0.374 0.933 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 19 7.216 1.736 0.258 0.355 0.889 0.556 CB 1.025 19 residues pruned to eliminate duplicates Z: 12 18.556 2.097 0.559 0.877 1.000 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 18 10.148 1.826 0.452 0.395 0.882 0.529 CB 1.176 18 residues pruned to eliminate duplicates Z: 22 17.573 2.071 0.634 0.429 0.857 0.476 CB 1.423 22 residues pruned to eliminate duplicates Z: 6 3.345 1.546 -0.278 0.800 1.000 0.800 O 1.032 Z: 49 42.918 2.116 0.749 0.687 0.958 0.688 CA 1.472 49 residues pruned to eliminate duplicates Z: 10 18.996 1.869 1.078 0.842 1.000 0.889 CA 1.215 11 residues pruned to eliminate duplicates Z: 19 34.250 2.115 0.823 0.923 1.000 0.778 CA 1.472 19 residues pruned to eliminate duplicates Z: 72 43.304 1.966 0.786 0.546 0.930 0.620 CB 1.504 58 residues pruned to eliminate duplicates Z: 36 18.702 1.924 0.532 0.428 0.914 0.571 CB 1.264 36 residues pruned to eliminate duplicates Z: 10 8.266 1.912 0.669 0.408 0.778 0.444 CB 1.222 12 residues pruned to eliminate duplicates Z: 18 12.179 1.922 0.658 0.382 0.765 0.471 CA 1.374 18 residues pruned to eliminate duplicates Z: 11 7.493 1.972 0.568 0.304 0.700 0.400 CA 1.361 11 residues pruned to eliminate duplicates Z: 34 17.576 1.929 0.551 0.424 0.879 0.545 CB 1.260 34 residues pruned to eliminate duplicates Z: 21 14.464 1.854 0.831 0.474 0.850 0.700 CB 1.150 21 residues pruned to eliminate duplicates Z: 17 8.942 1.800 0.292 0.377 0.875 0.562 CA 1.252 17 residues pruned to eliminate duplicates Z: 20 37.587 2.101 0.984 0.941 1.000 0.684 CB 1.435 20 residues pruned to eliminate duplicates Z: 8 7.117 1.610 0.796 0.545 0.714 0.714 CB 1.247 Z: 27 8.732 1.767 0.264 0.374 0.846 0.538 CB 1.036 27 residues pruned to eliminate duplicates Z: 10 10.589 1.846 0.674 0.531 1.000 0.667 CB 1.108 11 residues pruned to eliminate duplicates Z: 10 8.433 1.583 0.472 0.492 1.000 0.444 CB 1.217 Z: 9 13.615 1.697 0.824 0.703 1.000 0.875 CB 1.293 8 residues pruned to eliminate duplicates Z: 14 9.400 1.866 0.346 0.382 0.846 0.538 CB 1.390 14 residues pruned to eliminate duplicates Z: 16 7.683 1.832 0.394 0.404 0.867 0.533 CB 0.991 16 residues pruned to eliminate duplicates Z: 19 30.045 2.060 0.918 0.788 0.944 0.833 CB 1.473 19 residues pruned to eliminate duplicates Z: 43 40.233 2.115 0.638 0.725 0.976 0.762 CA 1.499 43 residues pruned to eliminate duplicates Z: 10 5.167 1.861 0.466 0.335 0.667 0.444 CB 1.134 10 residues pruned to eliminate duplicates Z: 9 7.971 1.748 0.664 0.518 0.875 0.625 CA 1.088 10 residues pruned to eliminate duplicates Z: 20 7.442 1.759 0.192 0.370 0.842 0.526 CB 1.112 20 residues pruned to eliminate duplicates Z: 22 27.000 2.077 0.524 0.869 1.000 0.810 CB 1.360 22 residues pruned to eliminate duplicates Z: 24 12.617 1.865 0.593 0.375 0.913 0.478 CB 1.108 23 residues pruned to eliminate duplicates Z: 26 13.459 1.932 0.638 0.307 0.800 0.400 CB 1.317 26 residues pruned to eliminate duplicates Z: 7 4.240 1.432 0.661 0.378 0.833 0.333 CB 0.995 Z: 21 28.329 1.896 0.992 0.893 1.000 0.550 CB 1.205 21 residues pruned to eliminate duplicates Z: 11 5.450 1.885 0.318 0.358 0.700 0.500 CB 1.155 11 residues pruned to eliminate duplicates Z: 22 12.087 1.782 0.639 0.375 0.905 0.524 CB 1.140 22 residues pruned to eliminate duplicates Z: 13 3.353 1.342 0.337 0.364 0.667 0.333 CB 0.936 Z: 33 14.286 1.902 0.435 0.359 0.844 0.500 CB 1.277 40 residues pruned to eliminate duplicates Z: 18 12.391 1.872 0.616 0.365 0.882 0.529 CB 1.301 18 residues pruned to eliminate duplicates Z: 7 2.425 1.739 0.152 0.378 0.667 0.500 CB 0.844 7 residues pruned to eliminate duplicates Z: 18 17.105 1.987 0.742 0.515 0.882 0.588 CA 1.338 18 residues pruned to eliminate duplicates Z: 6 3.449 1.599 0.431 0.299 0.800 0.600 CB 1.055 Z: 31 34.315 2.081 0.604 0.774 0.967 0.933 CB 1.525 31 residues pruned to eliminate duplicates Z: 14 19.360 1.783 0.868 0.753 1.000 0.846 CB 1.287 22 residues pruned to eliminate duplicates Z: 9 3.507 1.599 0.745 0.301 0.750 0.625 CB 0.739 6 residues pruned to eliminate duplicates Z: 18 23.701 2.056 0.601 0.922 1.000 0.882 CA 1.228 18 residues pruned to eliminate duplicates Z: 10 5.254 1.598 0.339 0.512 0.889 0.556 CB 0.910 10 residues pruned to eliminate duplicates Z: 99 54.701 2.115 0.712 0.589 0.939 0.663 CB 1.493 101 residues pruned to eliminate duplicates Z: 36 15.688 1.993 0.507 0.329 0.771 0.543 CB 1.381 36 residues pruned to eliminate duplicates Z: 30 10.904 1.885 0.337 0.299 0.862 0.483 CB 1.166 30 residues pruned to eliminate duplicates Z: 7 4.759 1.780 -0.101 0.449 1.000 0.667 CB 1.279 7 1.975 1.463 0.821 0.311 0.500 0.333 CA 0.746 ? Z: 8 3.218 1.619 0.070 0.652 1.000 0.857 CB 0.610 Z: 12 10.590 1.838 0.876 0.544 0.818 0.545 CB 1.085 12 residues pruned to eliminate duplicates Z: 20 43.619 2.234 0.939 0.938 1.000 0.895 CA 1.607 20 residues pruned to eliminate duplicates Z: 15 5.464 1.630 0.519 0.287 0.643 0.286 C 1.166 15 residues pruned to eliminate duplicates Z: 7 6.189 1.757 0.411 0.671 1.000 0.667 CA 0.871 7 residues pruned to eliminate duplicates 6 1.475 1.166 0.179 0.243 1.000 0.600 O 0.646 ? Z: 43 14.542 1.773 0.397 0.410 0.881 0.548 CB 1.131 43 residues pruned to eliminate duplicates Z: 18 7.910 1.819 0.380 0.335 0.765 0.706 CB 1.197 18 residues pruned to eliminate duplicates Z: 15 6.569 1.614 0.724 0.307 0.643 0.429 CA 1.217 15 residues pruned to eliminate duplicates Z: 21 33.845 2.040 0.925 0.902 1.000 0.700 CB 1.374 21 residues pruned to eliminate duplicates Z: 16 15.035 1.977 0.430 0.647 0.933 0.733 CB 1.283 16 residues pruned to eliminate duplicates Z: 6 9.168 1.748 0.732 0.460 1.000 0.600 C 1.411 Z: 38 21.330 1.977 0.423 0.473 0.892 0.622 CA 1.437 38 residues pruned to eliminate duplicates Z: 8 2.115 1.438 0.303 0.213 0.571 0.429 CB 1.047 Z: 24 8.553 1.847 0.311 0.359 0.870 0.609 CB 0.987 21 residues pruned to eliminate duplicates Z: 30 9.207 1.783 0.330 0.250 0.793 0.345 CB 1.212 30 residues pruned to eliminate duplicates Z: 18 15.895 1.989 0.445 0.477 0.941 0.706 CA 1.458 18 residues pruned to eliminate duplicates Z: 7 6.075 1.701 0.716 0.692 0.833 0.833 CA 0.855 7 residues pruned to eliminate duplicates 6 1.101 1.382 0.432 0.299 0.400 0.400 C 0.778 ? Z: 8 9.293 1.769 0.730 0.603 0.857 0.857 CB 1.214 8 residues pruned to eliminate duplicates Z: 24 8.402 1.916 0.110 0.307 0.913 0.609 CB 1.118 25 residues pruned to eliminate duplicates 6 1.413 1.331 0.386 0.451 0.800 0.400 CB 0.450 ? Z: 22 14.081 1.874 0.460 0.409 0.905 0.762 CB 1.366 22 residues pruned to eliminate duplicates Z: 31 33.987 2.104 0.515 0.764 1.000 0.867 CB 1.540 31 residues pruned to eliminate duplicates Z: 22 32.517 2.023 0.641 0.949 1.000 1.000 CB 1.475 26 residues pruned to eliminate duplicates Z: 7 3.415 1.408 0.922 0.421 0.667 0.333 CA 0.838 7 residues pruned to eliminate duplicates Z: 11 5.512 1.569 0.454 0.331 0.900 0.400 CA 1.022 11 residues pruned to eliminate duplicates Z: 20 45.529 2.214 1.089 0.918 1.000 0.789 CB 1.592 20 residues pruned to eliminate duplicates Z: 12 2.830 1.304 0.572 0.201 0.636 0.273 CB 0.933 7 1.752 1.549 -0.093 0.194 0.667 0.500 CB 1.102 ? Z: 8 10.439 1.752 0.402 0.821 0.857 0.714 CB 1.419 8 residues pruned to eliminate duplicates Z: 11 3.454 1.409 0.409 0.253 0.800 0.400 CB 0.913 11 residues pruned to eliminate duplicates Z: 10 8.959 1.806 0.689 0.538 1.000 0.667 CA 0.944 10 residues pruned to eliminate duplicates Z: 17 7.526 1.579 0.591 0.377 0.812 0.562 CA 1.050 22 residues pruned to eliminate duplicates Z: 36 39.827 2.134 0.643 0.789 1.000 0.771 CA 1.489 36 residues pruned to eliminate duplicates 6 1.529 1.420 0.178 0.357 0.600 0.600 CA 0.795 ? Z: 18 19.643 1.922 0.756 0.856 1.000 0.471 CB 1.041 18 residues pruned to eliminate duplicates Z: 6 2.648 1.533 0.381 0.315 0.800 0.600 CB 0.858 6 residues pruned to eliminate duplicates Z: 7 4.892 1.458 0.641 0.589 0.833 0.667 CA 0.920 Z: 21 8.608 1.871 0.476 0.291 0.850 0.600 CB 1.036 21 residues pruned to eliminate duplicates Z: 15 8.192 1.775 0.394 0.314 0.786 0.571 CA 1.385 15 residues pruned to eliminate duplicates Z: 12 13.038 1.831 0.820 0.841 0.909 0.818 CA 0.968 12 residues pruned to eliminate duplicates Z: 7 7.442 1.474 0.449 0.853 1.000 1.000 CA 1.051 7 residues pruned to eliminate duplicates Z: 7 6.665 1.557 0.386 0.464 1.000 0.500 CA 1.308 7 residues pruned to eliminate duplicates Z: 10 8.210 1.745 0.737 0.476 1.000 0.667 CB 0.925 10 residues pruned to eliminate duplicates Z: 10 17.963 2.045 0.638 0.818 0.889 0.556 CA 1.525 10 residues pruned to eliminate duplicates Z: 52 17.404 1.883 0.588 0.355 0.824 0.549 CB 1.158 52 residues pruned to eliminate duplicates Z: 14 6.420 1.446 0.679 0.346 0.846 0.385 N 1.025 14 residues pruned to eliminate duplicates Z: 10 12.498 1.942 0.645 0.593 1.000 0.667 CA 1.193 10 residues pruned to eliminate duplicates Z: 7 6.454 1.980 0.469 0.321 0.833 0.667 CA 1.323 7 residues pruned to eliminate duplicates Z: 20 14.522 1.801 0.636 0.547 0.895 0.684 CB 1.207 20 residues pruned to eliminate duplicates Z: 23 9.652 1.880 0.544 0.301 0.682 0.455 CB 1.297 23 residues pruned to eliminate duplicates Z: 7 2.005 1.790 -0.143 0.288 0.667 0.500 CB 1.016 7 residues pruned to eliminate duplicates Z: 7 12.589 1.943 0.495 0.794 1.000 0.833 CB 1.368 7 residues pruned to eliminate duplicates Z: 8 15.559 1.978 0.309 0.845 1.000 0.429 CB 1.689 8 residues pruned to eliminate duplicates 7 0.912 1.235 0.751 0.270 0.833 0.500 CB 0.268 ? 9 1.897 1.245 0.309 0.252 1.000 0.500 CB 0.547 ? Z: 9 3.248 1.486 0.068 0.406 0.750 0.375 CB 1.066 Z: 29 35.377 2.145 0.683 0.714 0.964 0.786 CB 1.581 29 residues pruned to eliminate duplicates Z: 6 4.840 1.464 0.232 0.688 1.000 0.600 N 1.011 Z: 6 7.002 1.700 0.868 0.653 1.000 0.400 CA 0.855 6 residues pruned to eliminate duplicates Z: 9 3.755 1.630 0.125 0.428 1.000 0.250 CB 0.780 Z: 14 11.540 1.814 0.485 0.509 0.923 0.615 CA 1.276 14 residues pruned to eliminate duplicates Z: 9 12.650 1.749 0.859 0.842 0.875 0.500 N 1.172 9 residues pruned to eliminate duplicates Z: 9 6.813 1.971 0.252 0.383 1.000 0.875 CB 1.106 9 residues pruned to eliminate duplicates Z: 11 11.307 1.936 0.482 0.554 1.000 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 7 6.260 1.615 0.451 0.854 1.000 0.833 CB 0.805 Z: 25 13.473 1.922 0.316 0.463 0.875 0.500 CB 1.290 25 residues pruned to eliminate duplicates Z: 14 9.442 1.878 0.670 0.413 0.846 0.692 CB 1.081 14 residues pruned to eliminate duplicates Z: 6 2.136 1.547 -0.240 0.354 0.800 0.600 N 1.190 Z: 18 18.556 2.102 0.440 0.472 0.941 0.588 CB 1.624 18 residues pruned to eliminate duplicates Z: 7 4.853 1.752 -0.255 0.707 1.000 0.833 C 1.257 7 residues pruned to eliminate duplicates Z: 6 5.128 1.288 0.601 0.626 1.000 0.400 CA 0.988 Z: 7 4.293 1.772 0.426 0.502 0.500 0.333 N 1.385 7 residues pruned to eliminate duplicates Z: 19 10.021 1.803 0.368 0.461 0.833 0.611 CB 1.195 19 residues pruned to eliminate duplicates Z: 41 36.292 2.002 0.813 0.722 0.925 0.700 CB 1.399 41 residues pruned to eliminate duplicates Z: 6 2.663 1.647 -0.112 0.656 0.800 0.800 CB 0.881 6 residues pruned to eliminate duplicates Z: 15 8.978 1.837 0.503 0.335 0.929 0.500 CA 1.121 15 residues pruned to eliminate duplicates Z: 18 9.437 1.759 0.359 0.400 0.941 0.647 CB 1.131 18 residues pruned to eliminate duplicates Z: 18 10.999 1.978 0.679 0.323 0.882 0.529 CB 1.107 18 residues pruned to eliminate duplicates Z: 18 23.594 2.147 0.644 0.628 0.882 0.647 CA 1.629 18 residues pruned to eliminate duplicates Z: 30 16.338 1.895 0.322 0.472 0.966 0.655 CB 1.291 29 residues pruned to eliminate duplicates Z: 11 13.532 2.030 0.469 0.848 0.900 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 9 7.619 1.900 0.511 0.500 0.875 0.750 CB 1.072 9 residues pruned to eliminate duplicates Z: 35 25.921 1.994 0.527 0.633 0.971 0.735 CB 1.327 33 residues pruned to eliminate duplicates Z: 17 9.135 1.706 0.367 0.445 0.875 0.500 CB 1.185 17 residues pruned to eliminate duplicates Z: 13 8.395 1.709 0.385 0.475 1.000 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 9 7.827 1.802 0.361 0.663 1.000 0.750 CB 0.971 9 residues pruned to eliminate duplicates Z: 13 5.976 1.621 0.359 0.404 0.917 0.500 CA 0.944 13 residues pruned to eliminate duplicates Z: 7 2.811 1.490 0.505 0.373 0.833 0.500 CB 0.703 7 residues pruned to eliminate duplicates Z: 10 5.354 1.628 0.448 0.389 0.778 0.333 CB 1.094 10 residues pruned to eliminate duplicates Z: 36 16.009 1.790 0.606 0.420 0.857 0.686 CB 1.194 36 residues pruned to eliminate duplicates 7 1.969 1.684 -0.377 0.492 0.833 0.833 CB 0.927 ? Z: 6 4.479 1.272 0.538 0.459 1.000 0.600 N 1.068 Z: 8 3.772 1.425 0.562 0.213 0.857 0.429 N 1.048 Z: 9 3.731 1.687 0.092 0.364 0.750 0.250 CA 1.105 9 residues pruned to eliminate duplicates Z: 35 16.644 2.046 0.495 0.294 0.824 0.647 CB 1.427 35 residues pruned to eliminate duplicates Z: 6 2.136 1.376 0.235 0.294 0.800 0.600 CB 0.884 Z: 8 4.948 1.618 0.618 0.391 0.857 0.429 CA 0.936 8 residues pruned to eliminate duplicates Z: 6 2.257 1.346 0.428 0.360 0.800 0.400 CB 0.764 9 1.186 1.407 0.131 0.184 0.750 0.500 CB 0.514 ? Z: 6 2.785 1.430 0.204 0.468 0.800 0.600 CA 0.935 6 residues pruned to eliminate duplicates Z: 6 4.061 1.666 0.735 0.429 0.800 0.400 CB 0.845 Z: 14 8.352 1.644 0.618 0.366 0.846 0.769 CB 1.188 17 residues pruned to eliminate duplicates Z: 12 7.307 1.616 0.174 0.516 0.909 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 39 24.630 2.094 0.639 0.418 0.842 0.474 CA 1.506 39 residues pruned to eliminate duplicates Z: 19 7.453 1.742 0.271 0.472 0.833 0.722 CB 0.980 26 residues pruned to eliminate duplicates Z: 11 15.333 1.950 0.977 0.577 1.000 0.600 CB 1.167 11 residues pruned to eliminate duplicates Z: 17 11.032 1.792 0.523 0.411 0.875 0.438 CB 1.268 17 residues pruned to eliminate duplicates Z: 8 8.930 1.881 0.734 0.468 0.857 0.571 CA 1.248 8 residues pruned to eliminate duplicates Z: 7 3.459 1.422 0.546 0.418 0.667 0.333 CA 1.050 Z: 6 2.624 1.356 0.316 0.291 0.800 0.400 CB 1.039 Z: 7 3.985 1.437 0.204 0.498 1.000 0.500 N 0.942 7 residues pruned to eliminate duplicates Z: 8 5.343 1.873 0.134 0.313 1.000 0.571 CA 1.170 8 residues pruned to eliminate duplicates Z: 8 5.233 1.759 0.147 0.668 1.000 0.571 CB 0.839 8 residues pruned to eliminate duplicates Z: 24 10.436 1.698 0.374 0.378 0.913 0.304 CA 1.164 24 residues pruned to eliminate duplicates Z: 54 33.272 1.984 0.619 0.635 0.943 0.698 CA 1.329 54 residues pruned to eliminate duplicates Z: 6 3.372 1.638 0.401 0.461 0.600 0.400 C 1.140 Z: 10 8.920 1.742 0.587 0.680 0.889 0.667 CB 1.025 10 residues pruned to eliminate duplicates Z: 8 7.063 1.691 0.362 0.797 1.000 1.000 N 0.894 Z: 11 9.714 1.872 0.542 0.475 0.800 0.400 CA 1.365 11 residues pruned to eliminate duplicates Z: 8 5.918 1.728 0.392 0.208 0.857 0.571 O 1.533 8 residues pruned to eliminate duplicates Z: 11 11.093 1.885 0.685 0.565 0.900 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 14 4.959 1.448 0.852 0.327 0.692 0.538 CA 0.896 Z: 12 9.354 1.714 0.611 0.405 0.909 0.364 CB 1.241 12 residues pruned to eliminate duplicates Z: 45 19.534 1.945 0.504 0.365 0.886 0.455 CB 1.312 45 residues pruned to eliminate duplicates Z: 12 2.971 1.556 0.567 0.240 0.545 0.455 CA 0.910 12 residues pruned to eliminate duplicates Z: 8 4.216 1.414 0.297 0.581 0.714 0.429 CB 1.125 Z: 7 4.998 1.573 0.692 0.401 0.833 0.833 CB 1.021 Z: 63 21.756 1.906 0.447 0.369 0.887 0.548 CB 1.299 63 residues pruned to eliminate duplicates Z: 15 8.450 1.797 0.596 0.381 0.857 0.643 CB 1.042 12 residues pruned to eliminate duplicates Z: 16 10.270 1.993 0.384 0.345 0.867 0.467 CB 1.313 16 residues pruned to eliminate duplicates Z: 12 3.469 1.508 0.141 0.277 0.818 0.364 CA 0.957 Z: 58 21.717 1.895 0.631 0.363 0.825 0.544 CB 1.308 58 residues pruned to eliminate duplicates Z: 8 4.866 1.572 0.373 0.458 0.857 0.714 CB 1.038 8 residues pruned to eliminate duplicates Z: 8 9.036 1.986 0.362 0.752 1.000 0.857 CB 1.009 8 residues pruned to eliminate duplicates Z: 9 11.195 1.792 0.166 0.847 1.000 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 10 2.323 1.440 0.737 0.437 0.778 0.556 CB 0.425 10 residues pruned to eliminate duplicates Z: 53 35.981 2.049 0.607 0.596 0.962 0.577 CA 1.438 53 residues pruned to eliminate duplicates Z: 21 12.251 1.934 0.256 0.480 0.900 0.500 CA 1.278 21 residues pruned to eliminate duplicates Z: 7 3.272 1.438 0.443 0.245 0.833 0.333 C 1.038 Z: 27 26.244 2.050 0.555 0.626 0.962 0.692 CB 1.491 27 residues pruned to eliminate duplicates Z: 6 2.353 1.726 0.558 0.399 0.600 0.400 CB 0.725 6 residues pruned to eliminate duplicates Z: 7 2.129 1.471 0.348 0.380 0.833 0.667 CB 0.597 7 residues pruned to eliminate duplicates Z: 14 7.445 1.633 0.468 0.431 0.923 0.538 CB 1.003 14 residues pruned to eliminate duplicates Z: 8 5.634 1.494 0.559 0.346 0.857 0.571 N 1.261 8 residues pruned to eliminate duplicates Z: 6 3.373 1.368 0.645 0.383 0.800 0.600 N 0.949 6 residues pruned to eliminate duplicates Z: 19 10.658 1.750 0.478 0.459 0.889 0.389 CB 1.139 19 residues pruned to eliminate duplicates Z: 8 16.606 2.023 0.596 0.805 1.000 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 31 28.482 2.002 0.763 0.581 0.967 0.467 CA 1.410 31 residues pruned to eliminate duplicates Z: 7 5.945 1.645 0.198 0.423 1.000 0.667 CB 1.334 Z: 21 35.814 2.101 0.949 0.926 1.000 0.850 CB 1.371 21 residues pruned to eliminate duplicates Z: 24 16.256 1.812 0.783 0.533 0.870 0.435 CB 1.168 51 residues pruned to eliminate duplicates Z: 12 9.450 1.824 0.317 0.485 0.909 0.455 CB 1.324 12 residues pruned to eliminate duplicates Z: 11 6.171 1.698 0.533 0.504 0.600 0.600 CB 1.244 11 residues pruned to eliminate duplicates Z: 12 21.677 2.043 0.840 0.930 1.000 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 7 3.026 1.418 0.376 0.321 0.833 0.667 CA 0.925 Z: 36 22.415 1.966 0.471 0.563 0.886 0.600 CA 1.391 36 residues pruned to eliminate duplicates Z: 10 7.392 1.875 0.352 0.348 1.000 0.556 CB 1.146 19 residues pruned to eliminate duplicates Z: 6 6.199 1.504 0.345 0.734 1.000 0.800 CA 1.111 6 residues pruned to eliminate duplicates Z: 16 9.896 1.888 0.565 0.343 0.867 0.467 CA 1.183 16 residues pruned to eliminate duplicates Z: 25 15.859 2.028 0.359 0.530 0.875 0.667 CB 1.303 25 residues pruned to eliminate duplicates Z: 10 9.171 1.789 0.541 0.625 1.000 0.889 CB 0.986 10 residues pruned to eliminate duplicates Z: 6 2.067 1.428 0.033 0.412 0.800 0.200 CA 0.859 Z: 70 39.634 2.045 0.684 0.572 0.884 0.609 CB 1.462 70 residues pruned to eliminate duplicates Z: 9 6.605 1.777 0.514 0.357 0.750 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 6 8.425 1.779 1.110 0.476 0.800 0.600 CA 1.285 Z: 8 6.921 1.578 0.705 0.454 0.857 0.429 CA 1.188 6 residues pruned to eliminate duplicates Z: 9 6.594 1.979 0.125 0.333 0.875 0.375 CA 1.438 9 residues pruned to eliminate duplicates Z: 6 2.107 1.767 -0.247 0.450 0.600 0.400 CA 1.242 6 residues pruned to eliminate duplicates Z: 8 4.111 1.244 0.182 0.532 1.000 0.714 CA 1.024 6 residues pruned to eliminate duplicates Z: 10 8.743 1.465 0.596 0.857 1.000 0.778 CA 0.918 9 residues pruned to eliminate duplicates Z: 9 6.459 1.883 0.617 0.273 0.750 0.375 CA 1.293 6 1.927 1.418 -0.038 0.400 0.800 0.400 CB 0.878 ? Z: 23 13.010 1.914 0.383 0.417 0.909 0.682 CB 1.256 23 residues pruned to eliminate duplicates Z: 8 9.325 1.857 0.325 0.792 1.000 0.857 CA 1.108 8 residues pruned to eliminate duplicates Z: 6 2.504 1.056 0.766 0.613 0.800 0.400 C 0.675 Z: 20 22.812 1.974 0.452 0.917 1.000 1.000 CA 1.288 20 residues pruned to eliminate duplicates Z: 19 11.658 1.779 0.563 0.483 0.889 0.722 CB 1.131 19 residues pruned to eliminate duplicates 6 1.941 1.516 -0.035 0.476 0.600 0.400 CB 1.013 ? Z: 10 7.514 1.741 0.519 0.505 0.778 0.667 CA 1.210 10 residues pruned to eliminate duplicates Z: 7 6.039 1.816 0.577 0.586 0.833 0.833 CB 0.951 7 residues pruned to eliminate duplicates Z: 6 3.186 1.341 0.731 0.296 0.800 0.600 N 0.964 Using tripeptides from previous cycle as seeds Z: 6 4.013 1.744 0.376 0.304 0.800 0.800 CA 1.162 6 residues pruned to eliminate duplicates Z: 9 10.705 1.833 0.939 0.323 0.875 0.500 CA 1.479 9 residues pruned to eliminate duplicates Z: 9 7.555 1.783 0.539 0.550 0.750 0.375 CB 1.236 9 residues pruned to eliminate duplicates Z: 9 4.960 1.747 0.286 0.496 0.750 0.750 CB 1.046 7 residues pruned to eliminate duplicates Z: 6 3.666 1.671 0.464 0.335 0.800 0.400 CA 1.003 6 residues pruned to eliminate duplicates Z: 7 11.424 1.979 0.545 0.640 1.000 0.667 CB 1.338 9 residues pruned to eliminate duplicates Z: 6 6.203 1.753 0.704 0.418 0.800 0.600 CB 1.265 6 residues pruned to eliminate duplicates Z: 14 9.105 2.076 0.426 0.394 0.692 0.538 CB 1.379 14 residues pruned to eliminate duplicates Z: 19 10.217 1.946 0.511 0.316 0.778 0.444 CB 1.290 19 residues pruned to eliminate duplicates Z: 49 22.604 1.941 0.600 0.359 0.875 0.479 CB 1.398 49 residues pruned to eliminate duplicates Z: 17 8.098 1.841 0.487 0.218 0.750 0.625 CB 1.373 17 residues pruned to eliminate duplicates Z: 18 13.446 1.967 0.492 0.399 0.882 0.412 CB 1.401 18 residues pruned to eliminate duplicates 7 1.463 1.630 -0.052 0.204 0.667 0.333 CB 0.823 ? Z: 16 8.033 1.985 0.332 0.327 0.800 0.400 CB 1.185 16 residues pruned to eliminate duplicates Z: 27 11.569 1.959 0.418 0.361 0.731 0.462 CB 1.298 27 residues pruned to eliminate duplicates Z: 34 17.789 1.947 0.768 0.331 0.818 0.455 CB 1.323 34 residues pruned to eliminate duplicates Z: 25 12.002 1.924 0.479 0.315 0.792 0.375 CB 1.335 25 residues pruned to eliminate duplicates Z: 45 19.147 1.971 0.623 0.324 0.795 0.364 CB 1.377 45 residues pruned to eliminate duplicates Z: 9 6.014 1.620 0.787 0.442 0.750 0.375 CB 1.040 7 residues pruned to eliminate duplicates Z: 6 8.747 1.812 0.318 0.749 1.000 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 11 7.134 1.780 0.557 0.276 0.900 0.500 CB 1.165 11 residues pruned to eliminate duplicates Z: 6 4.951 1.871 0.290 0.693 0.800 0.400 CA 0.961 6 residues pruned to eliminate duplicates Z: 10 8.192 1.884 0.498 0.239 1.000 0.333 CB 1.309 10 residues pruned to eliminate duplicates Z: 13 5.032 1.626 0.346 0.278 0.833 0.583 CB 1.023 13 residues pruned to eliminate duplicates Z: 12 6.261 1.683 0.504 0.211 0.909 0.364 CB 1.153 12 residues pruned to eliminate duplicates Z: 11 5.976 1.830 0.338 0.243 0.900 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 10 11.131 1.754 0.385 0.573 1.000 0.444 CB 1.424 11 residues pruned to eliminate duplicates Z: 6 2.814 1.369 0.514 0.336 0.800 0.800 C 0.908 6 residues pruned to eliminate duplicates Z: 27 10.947 1.749 0.393 0.473 0.846 0.500 CB 1.071 27 residues pruned to eliminate duplicates Z: 6 2.893 1.213 0.542 0.419 0.800 0.600 C 0.941 6 residues pruned to eliminate duplicates Z: 11 8.667 1.751 0.488 0.443 0.900 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 9 10.354 1.787 0.564 0.574 1.000 0.750 CB 1.219 9 residues pruned to eliminate duplicates Z: 13 6.138 1.712 0.316 0.330 0.833 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 20 11.056 1.791 0.280 0.511 1.000 0.421 CB 1.094 20 residues pruned to eliminate duplicates Z: 19 11.912 1.831 0.257 0.546 1.000 0.500 CB 1.167 20 residues pruned to eliminate duplicates Z: 10 6.436 1.450 0.319 0.595 1.000 0.444 CA 1.025 10 residues pruned to eliminate duplicates Z: 17 8.648 1.816 0.264 0.490 1.000 0.562 CB 0.951 17 residues pruned to eliminate duplicates Z: 18 9.805 1.821 0.292 0.510 0.941 0.471 CB 1.064 18 residues pruned to eliminate duplicates Z: 14 7.989 1.758 0.279 0.429 0.923 0.231 CB 1.150 14 residues pruned to eliminate duplicates Z: 18 12.501 1.842 0.432 0.560 0.941 0.588 CB 1.153 18 residues pruned to eliminate duplicates Z: 9 3.433 1.497 0.170 0.224 0.750 0.250 O 1.277 9 residues pruned to eliminate duplicates Z: 13 8.978 1.866 0.357 0.542 0.833 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 14 8.985 1.841 0.348 0.512 0.846 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 18 11.241 1.854 0.474 0.490 0.941 0.529 CB 1.071 18 residues pruned to eliminate duplicates Z: 10 9.689 1.970 0.350 0.652 0.889 0.889 CB 1.186 10 residues pruned to eliminate duplicates Z: 19 9.554 1.714 0.397 0.492 0.889 0.556 CB 1.067 19 residues pruned to eliminate duplicates Z: 40 17.130 1.832 0.584 0.520 0.872 0.513 CB 1.063 69 residues pruned to eliminate duplicates Z: 17 8.625 1.787 0.441 0.406 0.688 0.438 CB 1.344 Z: 6 3.169 1.417 0.918 0.211 0.800 0.600 C 0.916 6 residues pruned to eliminate duplicates Z: 6 2.951 1.415 0.878 0.264 0.600 0.600 C 1.084 6 residues pruned to eliminate duplicates Z: 15 16.693 2.089 0.850 0.371 0.857 0.429 CB 1.547 9 residues pruned to eliminate duplicates Z: 7 2.905 1.405 0.780 0.263 0.667 0.500 CA 0.933 7 residues pruned to eliminate duplicates Z: 8 10.616 1.910 0.715 0.549 0.857 0.571 CA 1.362 8 residues pruned to eliminate duplicates Z: 8 10.000 1.839 1.174 0.462 0.714 0.571 CB 1.376 8 residues pruned to eliminate duplicates Z: 11 11.304 1.841 0.605 0.527 0.800 0.300 CA 1.472 11 residues pruned to eliminate duplicates Z: 18 11.926 1.878 0.385 0.443 0.941 0.647 CA 1.253 18 residues pruned to eliminate duplicates Z: 6 2.251 1.492 0.485 0.340 1.000 0.600 CA 0.541 6 residues pruned to eliminate duplicates Z: 11 6.061 1.668 0.108 0.481 1.000 0.700 CB 1.057 11 residues pruned to eliminate duplicates Z: 9 6.485 1.812 0.096 0.495 0.875 0.750 CB 1.327 8 residues pruned to eliminate duplicates Z: 6 3.088 1.554 0.868 0.323 0.800 0.600 CA 0.723 6 residues pruned to eliminate duplicates Z: 13 11.100 1.819 0.624 0.518 0.833 0.500 CA 1.279 15 residues pruned to eliminate duplicates Z: 6 2.543 1.542 0.728 0.492 0.800 0.800 CA 0.538 6 residues pruned to eliminate duplicates Z: 19 16.078 1.793 0.860 0.514 0.889 0.667 CA 1.261 32 residues pruned to eliminate duplicates Z: 6 4.278 1.436 0.741 0.276 0.800 0.400 N 1.233 6 residues pruned to eliminate duplicates Z: 30 14.719 1.895 0.549 0.364 0.793 0.586 CB 1.359 30 residues pruned to eliminate duplicates Z: 15 9.252 1.802 0.223 0.494 0.857 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 14 8.805 1.725 0.438 0.480 0.769 0.615 CB 1.305 13 residues pruned to eliminate duplicates Z: 8 4.166 1.546 0.758 0.566 0.857 0.714 CA 0.634 Z: 6 5.340 1.671 0.863 0.458 0.800 0.800 CB 1.001 7 residues pruned to eliminate duplicates Z: 6 8.114 1.683 0.913 0.372 1.000 0.600 CA 1.292 Z: 34 31.308 2.010 0.607 0.691 0.939 0.848 CA 1.508 34 residues pruned to eliminate duplicates Z: 39 31.749 1.971 0.546 0.675 1.000 0.789 CA 1.438 47 residues pruned to eliminate duplicates Z: 23 27.215 2.077 0.468 0.853 1.000 0.955 CB 1.406 30 residues pruned to eliminate duplicates Z: 21 31.640 1.958 0.654 0.938 1.000 0.900 CB 1.519 21 residues pruned to eliminate duplicates Z: 65 37.478 2.018 0.698 0.591 0.891 0.656 CB 1.408 49 residues pruned to eliminate duplicates Z: 23 29.993 1.947 0.690 0.904 1.000 0.909 CB 1.384 23 residues pruned to eliminate duplicates Z: 39 28.237 1.965 0.614 0.611 0.921 0.737 CA 1.412 39 residues pruned to eliminate duplicates Z: 69 43.056 2.027 0.787 0.595 0.941 0.691 CB 1.399 53 residues pruned to eliminate duplicates Z: 22 33.448 2.005 0.762 0.931 1.000 0.905 CB 1.445 22 residues pruned to eliminate duplicates Z: 52 40.751 2.099 0.795 0.547 0.941 0.725 CB 1.538 52 residues pruned to eliminate duplicates Z: 63 43.696 2.018 0.761 0.606 0.968 0.726 CB 1.458 63 residues pruned to eliminate duplicates Z: 35 39.971 2.046 0.895 0.696 0.941 0.765 CA 1.570 35 residues pruned to eliminate duplicates Z: 67 49.685 2.032 0.842 0.641 0.970 0.697 CB 1.477 67 residues pruned to eliminate duplicates Z: 37 36.013 2.011 0.858 0.624 0.944 0.694 CB 1.514 37 residues pruned to eliminate duplicates Z: 48 41.636 2.061 0.960 0.583 0.915 0.766 CB 1.517 48 residues pruned to eliminate duplicates Z: 57 38.275 2.046 0.888 0.515 0.893 0.661 CB 1.461 60 residues pruned to eliminate duplicates Z: 22 41.407 2.055 0.966 0.911 1.000 0.476 CB 1.585 22 residues pruned to eliminate duplicates Z: 32 32.028 2.034 0.936 0.668 0.968 0.645 CB 1.292 32 residues pruned to eliminate duplicates Z: 33 33.608 2.036 0.790 0.657 0.969 0.750 CB 1.455 33 residues pruned to eliminate duplicates Z: 40 31.354 1.968 0.741 0.653 0.974 0.744 CB 1.304 40 residues pruned to eliminate duplicates Z: 33 36.590 2.077 0.848 0.678 0.969 0.812 CB 1.477 33 residues pruned to eliminate duplicates Z: 41 29.000 1.935 0.712 0.604 0.875 0.700 CB 1.433 41 residues pruned to eliminate duplicates Z: 54 35.278 2.048 0.793 0.498 0.906 0.528 CB 1.460 54 residues pruned to eliminate duplicates Z: 63 41.326 2.042 0.833 0.513 0.935 0.677 CB 1.480 55 residues pruned to eliminate duplicates 6 1.599 1.519 0.004 0.413 0.600 0.600 CA 0.856 ? Z: 13 8.673 1.678 0.295 0.755 0.833 0.833 CA 1.101 13 residues pruned to eliminate duplicates Z: 63 37.334 2.024 0.627 0.574 0.935 0.565 CB 1.434 63 residues pruned to eliminate duplicates Z: 15 5.841 1.573 0.507 0.277 0.857 0.500 CB 0.988 Z: 11 15.307 1.880 0.784 0.908 1.000 0.800 CB 1.025 11 residues pruned to eliminate duplicates Z: 40 28.815 1.975 0.692 0.505 0.974 0.615 CB 1.410 40 residues pruned to eliminate duplicates Z: 19 15.313 1.855 0.603 0.590 0.944 0.667 CB 1.179 19 residues pruned to eliminate duplicates Z: 66 43.021 2.024 0.748 0.582 0.969 0.662 CB 1.439 66 residues pruned to eliminate duplicates Z: 31 30.249 2.010 0.877 0.568 0.967 0.700 CB 1.418 36 residues pruned to eliminate duplicates Z: 9 14.724 1.776 0.889 0.776 0.875 0.750 CA 1.390 9 residues pruned to eliminate duplicates Z: 40 27.617 1.967 0.711 0.484 0.897 0.590 CA 1.489 40 residues pruned to eliminate duplicates Z: 41 24.517 1.902 0.734 0.490 0.875 0.600 CB 1.357 41 residues pruned to eliminate duplicates Z: 9 11.057 1.981 1.025 0.442 0.750 0.250 CA 1.380 9 residues pruned to eliminate duplicates Z: 42 24.781 1.889 0.808 0.432 0.927 0.537 CA 1.312 42 residues pruned to eliminate duplicates Z: 68 47.090 1.992 0.970 0.583 0.955 0.687 CB 1.417 41 residues pruned to eliminate duplicates Z: 6 5.452 1.630 0.937 0.389 0.800 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 36 29.320 1.994 0.794 0.489 0.971 0.486 CB 1.442 36 residues pruned to eliminate duplicates Z: 66 49.217 2.054 0.840 0.613 0.969 0.708 CB 1.497 66 residues pruned to eliminate duplicates Z: 21 18.908 2.101 0.729 0.341 0.900 0.500 CB 1.537 21 residues pruned to eliminate duplicates Z: 72 46.512 2.014 0.932 0.580 0.930 0.606 CB 1.413 76 residues pruned to eliminate duplicates Z: 6 4.844 1.777 0.649 0.222 0.800 0.400 CA 1.280 Z: 7 6.528 1.750 0.670 0.341 0.833 0.333 CA 1.301 8 residues pruned to eliminate duplicates Z: 39 23.223 1.926 0.786 0.436 0.895 0.447 CB 1.307 39 residues pruned to eliminate duplicates Z: 23 17.638 2.068 0.826 0.353 0.864 0.455 CA 1.352 29 residues pruned to eliminate duplicates Z: 6 5.650 1.643 1.079 0.257 0.800 0.600 CA 1.222 Z: 23 18.965 2.022 0.859 0.375 0.818 0.545 CA 1.502 23 residues pruned to eliminate duplicates Z: 21 16.230 2.013 0.896 0.354 0.800 0.500 CA 1.392 21 residues pruned to eliminate duplicates Z: 21 17.850 2.032 0.835 0.348 0.900 0.500 CA 1.403 21 residues pruned to eliminate duplicates Z: 23 8.615 1.725 0.436 0.318 0.773 0.500 CB 1.173 15 residues pruned to eliminate duplicates Z: 7 5.130 1.688 0.082 0.568 1.000 0.833 CB 1.074 7 residues pruned to eliminate duplicates Z: 11 5.819 1.876 0.508 0.247 0.900 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 10 5.699 1.817 0.595 0.267 0.889 0.444 CB 0.961 10 residues pruned to eliminate duplicates Z: 12 8.548 1.821 0.387 0.422 0.909 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 11 7.275 1.853 0.597 0.262 1.000 0.600 CB 1.020 11 residues pruned to eliminate duplicates Z: 12 10.451 1.846 0.534 0.405 1.000 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 24 9.729 1.754 0.289 0.467 0.913 0.478 CB 1.017 24 residues pruned to eliminate duplicates Z: 12 8.881 1.859 0.398 0.407 0.909 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 9.200 1.784 0.330 0.450 1.000 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 21 8.823 1.840 0.432 0.269 0.900 0.600 CB 1.082 21 residues pruned to eliminate duplicates Z: 42 26.500 2.025 0.807 0.407 0.927 0.561 CB 1.345 43 residues pruned to eliminate duplicates Z: 6 3.031 1.574 0.274 0.421 1.000 0.600 CB 0.734 6 residues pruned to eliminate duplicates Z: 13 6.312 1.808 0.347 0.285 0.750 0.333 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 18.610 2.178 0.617 0.380 0.938 0.438 CB 1.602 17 residues pruned to eliminate duplicates Z: 15 18.817 2.222 1.023 0.432 0.857 0.429 CB 1.400 15 residues pruned to eliminate duplicates Z: 31 27.735 2.139 0.793 0.465 0.900 0.533 CB 1.519 31 residues pruned to eliminate duplicates Z: 6 5.329 1.858 0.623 0.281 0.800 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 31 23.990 2.136 0.735 0.441 0.867 0.500 CB 1.448 31 residues pruned to eliminate duplicates Z: 33 23.513 2.022 0.849 0.423 0.844 0.469 CB 1.427 33 residues pruned to eliminate duplicates Z: 17 22.099 2.216 0.840 0.394 0.938 0.312 CB 1.618 17 residues pruned to eliminate duplicates Z: 31 26.849 2.117 0.776 0.462 0.900 0.667 CB 1.506 31 residues pruned to eliminate duplicates Z: 25 25.963 2.181 1.016 0.376 0.917 0.542 CB 1.501 25 residues pruned to eliminate duplicates Z: 42 25.207 2.068 0.823 0.396 0.854 0.488 CB 1.365 42 residues pruned to eliminate duplicates Z: 30 25.250 2.111 0.798 0.438 0.897 0.552 CB 1.469 30 residues pruned to eliminate duplicates Z: 42 25.137 2.076 0.696 0.389 0.902 0.537 CB 1.390 42 residues pruned to eliminate duplicates Z: 32 29.895 2.102 0.873 0.491 0.903 0.484 CB 1.524 32 residues pruned to eliminate duplicates Z: 17 20.169 2.098 0.810 0.514 0.875 0.562 CB 1.495 17 residues pruned to eliminate duplicates Z: 6 9.606 1.378 1.890 0.440 1.000 0.800 C 1.147 6 residues pruned to eliminate duplicates Z: 28 22.185 2.056 0.913 0.386 0.852 0.519 CB 1.438 28 residues pruned to eliminate duplicates Z: 19 19.130 2.098 0.755 0.495 0.833 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 29 22.339 2.148 0.869 0.314 0.857 0.536 CB 1.507 29 residues pruned to eliminate duplicates Z: 33 25.501 2.035 0.791 0.436 0.875 0.438 CB 1.510 33 residues pruned to eliminate duplicates Z: 56 43.671 2.152 0.668 0.566 0.927 0.673 CB 1.660 56 residues pruned to eliminate duplicates Z: 32 24.020 2.184 0.719 0.373 0.774 0.516 CB 1.700 32 residues pruned to eliminate duplicates Z: 57 41.809 2.103 0.704 0.518 0.946 0.589 CA 1.618 109 residues pruned to eliminate duplicates Z: 68 41.570 2.126 0.670 0.521 0.925 0.627 CB 1.514 69 residues pruned to eliminate duplicates Z: 23 27.492 2.191 0.243 0.850 1.000 0.864 CB 1.595 23 residues pruned to eliminate duplicates Z: 25 32.677 2.177 0.568 0.784 0.958 0.792 CB 1.589 25 residues pruned to eliminate duplicates Z: 21 32.081 2.233 0.521 0.932 1.000 0.850 CB 1.475 21 residues pruned to eliminate duplicates Z: 30 45.237 2.208 0.717 0.788 1.000 0.828 CB 1.720 30 residues pruned to eliminate duplicates Z: 22 31.253 2.160 0.578 0.919 0.952 0.762 CB 1.481 22 residues pruned to eliminate duplicates Z: 45 37.894 2.088 0.800 0.562 0.932 0.659 CA 1.536 45 residues pruned to eliminate duplicates Z: 20 35.855 2.247 0.681 0.937 1.000 0.789 CB 1.516 20 residues pruned to eliminate duplicates Z: 30 41.409 2.162 0.755 0.746 1.000 0.793 CA 1.627 30 residues pruned to eliminate duplicates Z: 32 37.764 2.083 0.751 0.709 0.968 0.710 CB 1.589 32 residues pruned to eliminate duplicates Z: 31 39.360 2.135 0.729 0.753 0.967 0.733 CB 1.607 31 residues pruned to eliminate duplicates Z: 20 40.633 2.190 0.940 0.937 1.000 0.684 CB 1.527 20 residues pruned to eliminate duplicates Z: 29 44.076 2.180 0.816 0.824 0.964 0.714 CB 1.648 29 residues pruned to eliminate duplicates Z: 40 35.025 2.058 0.778 0.644 0.923 0.564 CB 1.452 40 residues pruned to eliminate duplicates Z: 33 36.760 2.062 0.743 0.695 0.938 0.594 CB 1.614 33 residues pruned to eliminate duplicates Z: 28 29.006 2.036 0.753 0.652 0.926 0.444 CB 1.465 28 residues pruned to eliminate duplicates Z: 30 41.611 2.157 0.864 0.753 0.966 0.517 CB 1.588 30 residues pruned to eliminate duplicates Z: 35 36.842 2.050 0.825 0.676 0.971 0.471 CB 1.480 35 residues pruned to eliminate duplicates Z: 30 39.443 2.152 0.801 0.699 0.966 0.414 CB 1.632 30 residues pruned to eliminate duplicates Z: 30 42.509 2.131 0.900 0.740 0.966 0.552 CB 1.628 30 residues pruned to eliminate duplicates Z: 33 41.294 2.099 0.817 0.710 0.938 0.469 CB 1.687 33 residues pruned to eliminate duplicates Z: 33 34.641 2.049 0.760 0.709 0.906 0.562 CB 1.550 33 residues pruned to eliminate duplicates Z: 58 43.439 2.118 0.811 0.555 0.895 0.491 CB 1.589 58 residues pruned to eliminate duplicates Z: 22 8.315 1.797 0.379 0.275 0.762 0.429 CA 1.239 22 residues pruned to eliminate duplicates Z: 35 21.828 2.015 0.453 0.484 0.912 0.735 CB 1.425 35 residues pruned to eliminate duplicates Z: 18 12.779 1.894 0.641 0.324 0.941 0.588 CB 1.286 18 residues pruned to eliminate duplicates Z: 24 11.505 1.774 0.418 0.352 0.913 0.565 CA 1.226 24 residues pruned to eliminate duplicates Z: 20 12.729 1.905 0.498 0.306 0.947 0.526 CA 1.341 20 residues pruned to eliminate duplicates Z: 35 21.350 1.992 0.428 0.513 0.941 0.706 CB 1.350 35 residues pruned to eliminate duplicates Z: 18 10.099 1.861 0.318 0.338 0.941 0.588 CA 1.265 18 residues pruned to eliminate duplicates Z: 26 16.852 1.987 0.361 0.423 0.960 0.800 CB 1.406 26 residues pruned to eliminate duplicates Z: 34 21.735 2.049 0.482 0.514 0.909 0.727 CB 1.351 34 residues pruned to eliminate duplicates Z: 35 22.725 2.036 0.470 0.497 0.941 0.647 CB 1.388 35 residues pruned to eliminate duplicates Z: 35 25.146 2.016 0.558 0.511 0.971 0.618 CB 1.399 34 residues pruned to eliminate duplicates Z: 8 5.855 1.744 0.569 0.307 0.714 0.286 CA 1.403 8 residues pruned to eliminate duplicates Z: 35 22.091 2.010 0.522 0.483 0.941 0.706 CB 1.338 35 residues pruned to eliminate duplicates Z: 34 21.999 2.029 0.495 0.488 0.939 0.636 CB 1.360 34 residues pruned to eliminate duplicates Z: 35 19.934 2.007 0.411 0.482 0.912 0.676 CB 1.349 35 residues pruned to eliminate duplicates Z: 35 20.526 2.005 0.458 0.474 0.971 0.618 CB 1.274 35 residues pruned to eliminate duplicates Z: 35 21.195 2.026 0.461 0.493 0.912 0.706 CB 1.356 35 residues pruned to eliminate duplicates Z: 35 19.938 2.016 0.436 0.474 0.882 0.588 CB 1.375 35 residues pruned to eliminate duplicates Z: 26 14.285 1.964 0.338 0.404 0.880 0.600 CB 1.367 26 residues pruned to eliminate duplicates Z: 37 22.334 1.961 0.613 0.470 0.917 0.667 CB 1.323 37 residues pruned to eliminate duplicates Z: 36 21.674 1.971 0.568 0.493 0.886 0.686 CB 1.347 36 residues pruned to eliminate duplicates Z: 34 21.679 2.019 0.512 0.487 0.939 0.606 CB 1.333 34 residues pruned to eliminate duplicates Z: 35 24.356 2.023 0.618 0.469 0.941 0.676 CB 1.400 35 residues pruned to eliminate duplicates Z: 34 23.469 2.031 0.559 0.503 0.939 0.727 CB 1.370 34 residues pruned to eliminate duplicates Z: 35 21.962 2.014 0.500 0.483 0.912 0.647 CB 1.391 35 residues pruned to eliminate duplicates Z: 35 21.953 2.007 0.482 0.506 0.941 0.735 CB 1.337 35 residues pruned to eliminate duplicates Z: 9 15.764 2.039 0.712 0.816 1.000 0.750 CB 1.213 9 residues pruned to eliminate duplicates Z: 35 20.646 2.020 0.537 0.483 0.882 0.676 CB 1.314 35 residues pruned to eliminate duplicates Z: 9 18.389 2.129 0.919 0.811 1.000 0.875 CB 1.214 9 residues pruned to eliminate duplicates Z: 10 17.574 2.037 1.008 0.748 1.000 0.778 CB 1.147 10 residues pruned to eliminate duplicates Z: 35 22.924 2.015 0.557 0.502 0.912 0.647 CB 1.372 35 residues pruned to eliminate duplicates Z: 10 15.402 2.015 1.010 0.743 0.889 0.778 CB 1.147 10 residues pruned to eliminate duplicates Z: 34 22.838 2.022 0.467 0.491 0.970 0.606 CB 1.394 34 residues pruned to eliminate duplicates Z: 25 10.564 1.943 0.513 0.338 0.833 0.500 CB 1.050 25 residues pruned to eliminate duplicates Z: 31 14.876 1.947 0.455 0.322 0.867 0.533 CA 1.346 31 residues pruned to eliminate duplicates Z: 21 9.379 1.964 0.190 0.361 0.850 0.400 CB 1.227 21 residues pruned to eliminate duplicates Z: 24 11.632 1.890 0.500 0.327 0.870 0.435 CB 1.190 24 residues pruned to eliminate duplicates Z: 20 8.628 1.933 0.402 0.323 0.789 0.263 CB 1.124 20 residues pruned to eliminate duplicates Z: 31 17.823 1.907 0.659 0.378 0.933 0.567 CB 1.255 31 residues pruned to eliminate duplicates Z: 31 17.666 1.927 0.556 0.390 0.900 0.467 CB 1.344 31 residues pruned to eliminate duplicates Z: 37 18.036 1.927 0.568 0.389 0.889 0.500 CB 1.259 37 residues pruned to eliminate duplicates Z: 57 18.990 1.886 0.541 0.335 0.804 0.446 CB 1.301 57 residues pruned to eliminate duplicates Z: 26 13.394 1.927 0.524 0.324 0.920 0.320 CB 1.204 26 residues pruned to eliminate duplicates Z: 17 10.830 1.967 0.448 0.335 0.875 0.500 CB 1.302 17 residues pruned to eliminate duplicates Z: 24 12.886 1.962 0.597 0.345 0.826 0.391 CB 1.229 24 residues pruned to eliminate duplicates Z: 75 23.335 1.961 0.533 0.359 0.824 0.459 CB 1.274 48 residues pruned to eliminate duplicates Z: 7 2.731 1.472 0.475 0.398 0.833 0.667 CA 0.686 7 residues pruned to eliminate duplicates Z: 11 8.198 2.062 0.558 0.389 0.700 0.300 CB 1.298 11 residues pruned to eliminate duplicates Z: 40 14.920 1.952 0.494 0.334 0.718 0.436 CB 1.369 40 residues pruned to eliminate duplicates Z: 28 15.724 2.001 0.349 0.414 0.889 0.556 CA 1.379 28 residues pruned to eliminate duplicates Z: 22 15.706 2.049 0.244 0.501 0.952 0.619 CA 1.409 22 residues pruned to eliminate duplicates Z: 36 15.957 2.002 0.422 0.401 0.743 0.514 CB 1.416 36 residues pruned to eliminate duplicates Z: 21 15.361 2.070 0.583 0.399 0.800 0.400 CB 1.458 21 residues pruned to eliminate duplicates Z: 32 18.347 2.068 0.398 0.408 0.839 0.548 CA 1.497 32 residues pruned to eliminate duplicates Z: 20 16.728 1.956 0.634 0.487 0.842 0.474 CA 1.444 20 residues pruned to eliminate duplicates Z: 38 16.424 1.964 0.400 0.373 0.811 0.486 CB 1.387 38 residues pruned to eliminate duplicates Z: 49 21.270 1.946 0.425 0.445 0.875 0.500 CB 1.339 49 residues pruned to eliminate duplicates Z: 33 21.440 2.066 0.461 0.485 0.875 0.562 CB 1.457 33 residues pruned to eliminate duplicates Z: 25 16.392 1.970 0.384 0.532 0.875 0.625 CA 1.359 25 residues pruned to eliminate duplicates Z: 32 21.690 2.039 0.451 0.523 0.903 0.613 CA 1.424 32 residues pruned to eliminate duplicates Z: 19 17.344 2.086 0.469 0.565 0.944 0.667 CA 1.326 19 residues pruned to eliminate duplicates Z: 28 15.046 2.007 0.435 0.453 0.778 0.630 CA 1.356 28 residues pruned to eliminate duplicates Z: 32 19.264 2.046 0.460 0.486 0.839 0.484 CB 1.401 32 residues pruned to eliminate duplicates Z: 21 20.512 2.084 0.415 0.600 0.950 0.550 CA 1.488 21 residues pruned to eliminate duplicates Z: 19 16.027 1.999 0.424 0.536 0.944 0.500 CA 1.356 19 residues pruned to eliminate duplicates Z: 21 20.621 2.039 0.562 0.595 0.950 0.550 CA 1.391 21 residues pruned to eliminate duplicates Z: 22 17.619 2.016 0.495 0.563 0.905 0.429 CA 1.326 22 residues pruned to eliminate duplicates Z: 21 16.110 2.056 0.434 0.537 0.850 0.500 CA 1.386 21 residues pruned to eliminate duplicates Z: 33 17.154 1.983 0.561 0.427 0.875 0.625 CB 1.208 33 residues pruned to eliminate duplicates Z: 13 7.439 1.824 0.569 0.403 0.833 0.500 CB 0.998 13 residues pruned to eliminate duplicates Z: 35 20.112 2.017 0.600 0.485 0.824 0.559 CB 1.317 35 residues pruned to eliminate duplicates Z: 15 6.073 1.938 0.125 0.337 0.714 0.429 CB 1.245 15 residues pruned to eliminate duplicates Z: 25 12.376 1.906 0.309 0.430 0.875 0.542 CB 1.245 25 residues pruned to eliminate duplicates Z: 44 18.707 1.927 0.432 0.399 0.907 0.535 CB 1.268 28 residues pruned to eliminate duplicates Z: 9 6.943 1.719 0.225 0.735 0.875 0.500 CB 1.078 8 residues pruned to eliminate duplicates Z: 6 3.555 1.782 -0.221 0.675 0.800 0.400 CB 1.219 6 residues pruned to eliminate duplicates Z: 18 9.333 1.920 0.286 0.308 0.882 0.412 CB 1.285 18 residues pruned to eliminate duplicates Z: 16 10.380 1.869 0.650 0.341 0.933 0.467 CB 1.108 16 residues pruned to eliminate duplicates Z: 23 13.157 1.972 0.468 0.428 0.909 0.500 CB 1.149 25 residues pruned to eliminate duplicates Z: 9 8.177 1.888 0.540 0.443 1.000 0.750 CB 1.055 9 residues pruned to eliminate duplicates Z: 26 15.309 1.951 0.537 0.397 0.840 0.520 CB 1.355 26 residues pruned to eliminate duplicates Z: 6 6.899 1.593 0.660 0.802 1.000 0.800 CA 0.896 6 residues pruned to eliminate duplicates Z: 20 11.013 1.851 0.440 0.449 0.947 0.632 CB 1.054 20 residues pruned to eliminate duplicates Z: 15 10.337 1.784 0.344 0.472 0.857 0.571 CB 1.383 15 residues pruned to eliminate duplicates Z: 19 12.571 1.869 0.633 0.457 0.889 0.611 CB 1.142 19 residues pruned to eliminate duplicates Z: 22 10.585 1.779 0.604 0.326 0.905 0.524 CB 1.083 22 residues pruned to eliminate duplicates Z: 18 13.005 1.877 0.488 0.504 0.824 0.529 CB 1.366 18 residues pruned to eliminate duplicates Z: 14 9.405 1.892 0.419 0.447 0.846 0.538 CB 1.213 14 residues pruned to eliminate duplicates Z: 20 10.113 1.788 0.389 0.449 0.789 0.421 CB 1.247 20 residues pruned to eliminate duplicates Z: 20 14.225 1.870 0.735 0.472 0.947 0.526 CB 1.092 20 residues pruned to eliminate duplicates Z: 27 12.122 1.725 0.555 0.426 0.846 0.462 CB 1.131 27 residues pruned to eliminate duplicates Z: 23 11.822 1.810 0.643 0.350 0.864 0.409 CB 1.155 23 residues pruned to eliminate duplicates Z: 21 12.248 1.886 0.618 0.334 0.950 0.450 CB 1.132 21 residues pruned to eliminate duplicates Z: 23 11.701 1.825 0.719 0.317 0.864 0.455 CB 1.127 23 residues pruned to eliminate duplicates Z: 18 10.379 1.846 0.595 0.406 0.941 0.529 CB 1.002 18 residues pruned to eliminate duplicates Z: 21 12.958 1.805 0.552 0.370 1.000 0.500 CB 1.189 21 residues pruned to eliminate duplicates Z: 21 14.710 1.878 0.645 0.348 0.950 0.500 CB 1.322 21 residues pruned to eliminate duplicates Z: 18 5.934 1.703 0.507 0.235 0.706 0.353 CB 1.081 29 residues pruned to eliminate duplicates Z: 6 3.769 1.541 0.416 0.350 1.000 0.600 CB 0.909 6 residues pruned to eliminate duplicates Z: 12 5.270 1.626 0.475 0.342 0.818 0.545 CB 0.962 12 residues pruned to eliminate duplicates Z: 10 5.839 1.549 0.435 0.384 0.889 0.556 CB 1.113 6 residues pruned to eliminate duplicates Z: 6 2.365 1.516 0.624 0.431 0.400 0.200 CB 1.154 Z: 6 2.916 1.583 0.569 0.245 0.600 0.200 N 1.175 6 residues pruned to eliminate duplicates Z: 33 18.153 1.855 0.507 0.460 0.875 0.688 CB 1.367 35 residues pruned to eliminate duplicates Z: 6 4.169 1.361 0.831 0.433 1.000 0.600 CA 0.801 6 residues pruned to eliminate duplicates Z: 10 7.859 1.848 0.804 0.405 0.667 0.222 CA 1.302 12 residues pruned to eliminate duplicates Z: 6 6.000 1.500 0.952 0.369 1.000 0.200 CA 1.054 Z: 6 3.917 1.512 0.641 0.299 0.800 0.600 O 1.104 6 residues pruned to eliminate duplicates Z: 22 12.597 1.942 0.446 0.350 0.810 0.524 CA 1.422 22 residues pruned to eliminate duplicates Z: 25 15.769 1.901 0.520 0.444 0.875 0.542 CA 1.349 25 residues pruned to eliminate duplicates Z: 28 14.058 1.875 0.632 0.378 0.741 0.481 CA 1.360 39 residues pruned to eliminate duplicates Z: 18 25.344 2.050 0.679 0.860 1.000 0.824 CA 1.313 18 residues pruned to eliminate duplicates Z: 71 45.701 2.109 0.642 0.627 0.957 0.657 CA 1.463 70 residues pruned to eliminate duplicates Z: 19 28.636 2.106 0.688 0.937 1.000 0.889 CA 1.322 19 residues pruned to eliminate duplicates Z: 67 37.041 2.057 0.510 0.566 0.955 0.561 CA 1.442 67 residues pruned to eliminate duplicates Z: 29 27.429 2.029 0.667 0.703 0.964 0.607 CA 1.322 29 residues pruned to eliminate duplicates Z: 30 26.398 2.005 0.572 0.731 0.931 0.621 CA 1.357 30 residues pruned to eliminate duplicates Z: 70 44.597 2.092 0.637 0.614 0.986 0.638 CA 1.428 70 residues pruned to eliminate duplicates Z: 19 27.817 2.095 0.690 0.903 1.000 0.556 CA 1.320 19 residues pruned to eliminate duplicates Z: 65 40.314 2.097 0.642 0.566 0.938 0.578 CA 1.464 65 residues pruned to eliminate duplicates Z: 51 34.628 2.010 0.605 0.661 0.980 0.700 CA 1.335 51 residues pruned to eliminate duplicates Z: 33 31.123 2.035 0.651 0.692 1.000 0.719 CA 1.374 33 residues pruned to eliminate duplicates Z: 71 42.231 2.070 0.603 0.614 0.971 0.729 CA 1.406 71 residues pruned to eliminate duplicates Z: 31 28.445 2.018 0.617 0.683 0.933 0.667 CA 1.442 31 residues pruned to eliminate duplicates Z: 53 39.903 2.053 0.753 0.646 0.981 0.731 CA 1.367 53 residues pruned to eliminate duplicates Z: 74 45.657 2.067 0.704 0.599 0.973 0.685 CA 1.419 73 residues pruned to eliminate duplicates Z: 21 30.565 2.058 0.705 0.939 1.000 0.950 CA 1.353 21 residues pruned to eliminate duplicates Z: 73 42.678 2.089 0.638 0.591 0.931 0.611 CA 1.448 73 residues pruned to eliminate duplicates Z: 72 45.227 2.098 0.635 0.615 0.958 0.690 CA 1.466 72 residues pruned to eliminate duplicates Z: 65 43.790 2.084 0.584 0.603 1.000 0.719 CA 1.503 65 residues pruned to eliminate duplicates Z: 34 27.682 2.004 0.650 0.638 0.939 0.606 CA 1.363 34 residues pruned to eliminate duplicates Z: 53 40.415 2.053 0.772 0.633 0.962 0.615 CA 1.414 53 residues pruned to eliminate duplicates Z: 34 30.003 2.035 0.639 0.655 0.970 0.636 CA 1.398 34 residues pruned to eliminate duplicates Z: 74 40.497 2.067 0.605 0.575 0.959 0.685 CA 1.386 74 residues pruned to eliminate duplicates Z: 46 30.544 2.105 0.535 0.515 0.956 0.556 CB 1.452 46 residues pruned to eliminate duplicates Z: 44 31.196 2.090 0.612 0.523 0.953 0.605 CB 1.448 44 residues pruned to eliminate duplicates Z: 71 42.948 2.077 0.642 0.600 0.943 0.586 CA 1.451 71 residues pruned to eliminate duplicates Z: 45 29.265 2.068 0.560 0.514 0.909 0.591 CB 1.484 45 residues pruned to eliminate duplicates Z: 64 41.994 2.082 0.603 0.600 0.984 0.714 CA 1.465 64 residues pruned to eliminate duplicates Z: 71 45.353 2.119 0.635 0.611 0.971 0.657 CA 1.451 71 residues pruned to eliminate duplicates Z: 46 33.996 2.013 0.617 0.706 1.000 0.689 CA 1.291 46 residues pruned to eliminate duplicates Z: 78 41.481 2.049 0.592 0.573 0.935 0.662 CA 1.444 78 residues pruned to eliminate duplicates Z: 12 20.385 2.131 0.902 0.884 0.909 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 75 42.513 2.055 0.654 0.588 0.946 0.608 CA 1.413 75 residues pruned to eliminate duplicates Z: 49 40.224 2.060 0.746 0.704 1.000 0.708 CA 1.341 49 residues pruned to eliminate duplicates Z: 51 39.229 2.040 0.742 0.654 1.000 0.660 CA 1.353 51 residues pruned to eliminate duplicates Z: 76 41.741 2.059 0.642 0.547 0.947 0.587 CA 1.439 76 residues pruned to eliminate duplicates Z: 75 43.633 2.063 0.561 0.608 0.986 0.635 CA 1.441 75 residues pruned to eliminate duplicates Z: 49 26.012 2.032 0.495 0.462 0.896 0.438 CA 1.434 49 residues pruned to eliminate duplicates Z: 44 22.962 2.040 0.589 0.461 0.814 0.535 CB 1.382 44 residues pruned to eliminate duplicates Z: 55 37.607 2.104 0.551 0.638 0.963 0.648 CA 1.431 55 residues pruned to eliminate duplicates Z: 31 23.138 2.104 0.567 0.421 0.900 0.467 CB 1.547 31 residues pruned to eliminate duplicates Z: 31 23.090 2.131 0.534 0.405 0.933 0.433 CB 1.527 31 residues pruned to eliminate duplicates Z: 76 37.321 2.008 0.630 0.485 0.920 0.573 CB 1.452 76 residues pruned to eliminate duplicates Z: 31 22.906 2.116 0.518 0.426 0.900 0.600 CA 1.561 31 residues pruned to eliminate duplicates Z: 73 41.009 2.069 0.601 0.594 0.944 0.653 CA 1.413 73 residues pruned to eliminate duplicates Z: 21 19.712 2.149 0.477 0.481 0.900 0.650 CB 1.573 21 residues pruned to eliminate duplicates Z: 64 44.749 2.109 0.790 0.591 0.905 0.524 CA 1.513 64 residues pruned to eliminate duplicates Z: 24 22.924 2.128 0.612 0.420 0.957 0.435 CA 1.582 24 residues pruned to eliminate duplicates Z: 24 20.112 2.105 0.572 0.450 0.826 0.565 CA 1.614 24 residues pruned to eliminate duplicates Z: 17 17.888 2.168 0.527 0.605 0.875 0.625 CB 1.397 17 residues pruned to eliminate duplicates Z: 20 20.361 2.135 0.610 0.521 0.842 0.684 CB 1.581 20 residues pruned to eliminate duplicates Z: 26 18.369 2.024 0.542 0.428 0.800 0.560 CA 1.585 26 residues pruned to eliminate duplicates Z: 23 18.597 2.113 0.516 0.472 0.773 0.455 CA 1.648 23 residues pruned to eliminate duplicates Z: 24 24.149 2.120 0.711 0.479 0.913 0.565 CA 1.553 24 residues pruned to eliminate duplicates Z: 21 22.091 2.121 0.689 0.559 0.850 0.750 CA 1.532 22 residues pruned to eliminate duplicates Z: 10 15.091 2.014 0.682 0.673 0.889 0.889 CA 1.423 11 residues pruned to eliminate duplicates Z: 10 17.094 1.826 0.922 0.854 1.000 0.889 CA 1.199 10 residues pruned to eliminate duplicates Z: 23 21.364 2.143 0.568 0.528 0.818 0.682 CA 1.612 23 residues pruned to eliminate duplicates Z: 23 18.491 2.098 0.484 0.477 0.864 0.636 CA 1.500 23 residues pruned to eliminate duplicates Z: 43 28.915 2.097 0.598 0.464 0.905 0.548 CA 1.527 43 residues pruned to eliminate duplicates Z: 23 21.191 2.115 0.555 0.528 0.864 0.636 CA 1.547 23 residues pruned to eliminate duplicates Z: 22 25.094 2.131 0.695 0.519 0.905 0.667 CA 1.644 21 residues pruned to eliminate duplicates Z: 6 5.248 1.662 0.228 0.443 1.000 0.200 CA 1.220 6 residues pruned to eliminate duplicates Z: 19 12.111 1.940 0.337 0.378 0.889 0.611 CB 1.410 19 residues pruned to eliminate duplicates Z: 29 13.473 1.910 0.379 0.364 0.893 0.500 CB 1.253 29 residues pruned to eliminate duplicates Z: 25 13.905 1.993 0.392 0.386 0.917 0.667 CB 1.260 25 residues pruned to eliminate duplicates Z: 25 13.695 1.971 0.259 0.407 0.958 0.542 CB 1.297 25 residues pruned to eliminate duplicates Z: 18 10.476 1.896 0.289 0.341 0.941 0.529 CA 1.313 18 residues pruned to eliminate duplicates Z: 31 13.551 1.906 0.307 0.377 0.933 0.500 CB 1.213 31 residues pruned to eliminate duplicates Z: 18 12.920 1.891 0.396 0.398 0.941 0.588 CB 1.404 18 residues pruned to eliminate duplicates Z: 19 13.560 1.961 0.273 0.388 1.000 0.500 CB 1.441 19 residues pruned to eliminate duplicates Z: 28 14.170 1.915 0.415 0.402 0.926 0.593 CB 1.206 28 residues pruned to eliminate duplicates Z: 30 13.729 1.894 0.295 0.385 0.966 0.517 CB 1.217 30 residues pruned to eliminate duplicates Z: 25 14.657 1.957 0.385 0.417 0.958 0.667 CB 1.256 25 residues pruned to eliminate duplicates Z: 29 13.317 1.927 0.319 0.409 0.857 0.607 CB 1.271 29 residues pruned to eliminate duplicates Z: 30 12.179 1.862 0.147 0.379 0.931 0.552 CB 1.294 30 residues pruned to eliminate duplicates Z: 22 13.606 1.973 0.325 0.433 0.952 0.571 CB 1.278 22 residues pruned to eliminate duplicates Z: 27 13.183 1.926 0.338 0.393 0.885 0.462 CB 1.270 27 residues pruned to eliminate duplicates Z: 9 6.078 1.899 0.226 0.663 0.750 0.625 CB 1.058 9 residues pruned to eliminate duplicates Z: 28 12.124 1.898 0.285 0.418 0.889 0.519 CB 1.173 28 residues pruned to eliminate duplicates Z: 14 8.314 1.825 0.290 0.422 1.000 0.538 CB 1.062 14 residues pruned to eliminate duplicates Z: 28 11.097 1.870 0.262 0.388 0.963 0.630 CB 1.057 19 residues pruned to eliminate duplicates Z: 6 2.531 1.387 0.235 0.382 0.800 0.400 CA 0.936 6 residues pruned to eliminate duplicates Z: 27 13.832 1.965 0.340 0.397 0.923 0.538 CB 1.244 27 residues pruned to eliminate duplicates Z: 15 8.423 1.789 0.346 0.225 1.000 0.357 CB 1.290 16 residues pruned to eliminate duplicates Z: 7 4.854 1.633 0.341 0.588 1.000 0.667 CB 0.832 7 residues pruned to eliminate duplicates Z: 29 13.550 1.934 0.365 0.388 0.929 0.571 CB 1.176 28 residues pruned to eliminate duplicates Z: 7 5.981 1.565 0.819 0.434 0.833 0.667 CA 1.102 7 residues pruned to eliminate duplicates Z: 13 7.754 1.965 0.541 0.306 0.750 0.583 CB 1.223 13 residues pruned to eliminate duplicates Z: 12 8.761 1.997 0.451 0.403 0.818 0.545 CB 1.235 12 residues pruned to eliminate duplicates Z: 12 7.001 1.943 0.518 0.270 0.818 0.545 CB 1.136 12 residues pruned to eliminate duplicates Z: 17 6.977 1.823 0.484 0.335 0.812 0.375 CB 0.951 16 residues pruned to eliminate duplicates Z: 7 2.514 1.620 -0.088 0.329 0.667 0.500 CA 1.256 7 residues pruned to eliminate duplicates Z: 13 5.429 1.932 0.279 0.359 0.750 0.417 CB 0.985 13 residues pruned to eliminate duplicates Z: 11 9.527 2.020 0.648 0.393 0.900 0.500 CB 1.126 13 residues pruned to eliminate duplicates Z: 6 3.931 1.404 0.466 0.294 1.000 0.200 N 1.076 6 residues pruned to eliminate duplicates Z: 30 14.804 1.941 0.492 0.365 0.862 0.448 CB 1.272 33 residues pruned to eliminate duplicates Z: 6 3.792 1.687 0.534 0.373 1.000 0.400 CB 0.751 6 residues pruned to eliminate duplicates Z: 29 9.494 1.792 0.299 0.321 0.857 0.607 CB 1.094 29 residues pruned to eliminate duplicates Z: 26 8.187 1.831 0.344 0.268 0.840 0.480 CB 1.031 26 residues pruned to eliminate duplicates Z: 38 12.950 1.891 0.451 0.324 0.784 0.432 CB 1.202 38 residues pruned to eliminate duplicates Z: 23 10.571 1.889 0.587 0.300 0.909 0.591 CB 1.033 23 residues pruned to eliminate duplicates Z: 22 10.228 1.885 0.480 0.321 0.905 0.619 CB 1.077 22 residues pruned to eliminate duplicates Z: 33 16.431 1.892 0.516 0.375 0.938 0.562 CB 1.234 33 residues pruned to eliminate duplicates Z: 9 7.067 1.577 0.598 0.469 0.875 0.500 C 1.169 Z: 6 5.666 1.811 0.547 0.621 0.600 0.400 C 1.345 6 residues pruned to eliminate duplicates Z: 26 17.759 2.099 0.516 0.413 0.840 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 54 22.161 2.036 0.517 0.344 0.887 0.547 CB 1.318 48 residues pruned to eliminate duplicates Z: 7 6.941 1.721 0.986 0.459 0.667 0.167 N 1.298 7 residues pruned to eliminate duplicates Z: 33 14.472 2.024 0.650 0.303 0.719 0.406 CB 1.328 33 residues pruned to eliminate duplicates Z: 9 7.700 1.886 0.803 0.355 0.750 0.250 CB 1.248 9 residues pruned to eliminate duplicates Z: 29 12.359 2.090 0.602 0.287 0.714 0.429 CB 1.241 29 residues pruned to eliminate duplicates Z: 20 10.959 2.105 0.505 0.261 0.737 0.579 CB 1.416 20 residues pruned to eliminate duplicates Z: 31 17.511 2.169 0.485 0.387 0.767 0.533 CB 1.459 31 residues pruned to eliminate duplicates Z: 21 12.723 2.142 0.508 0.287 0.750 0.500 CA 1.493 21 residues pruned to eliminate duplicates Z: 27 14.034 2.102 0.300 0.322 0.808 0.538 CA 1.517 27 residues pruned to eliminate duplicates Z: 20 10.587 2.121 0.584 0.292 0.684 0.474 CB 1.334 20 residues pruned to eliminate duplicates Z: 33 15.792 2.131 0.497 0.320 0.719 0.469 CB 1.484 33 residues pruned to eliminate duplicates Z: 34 17.551 2.123 0.430 0.362 0.788 0.576 CB 1.481 18 residues pruned to eliminate duplicates Z: 7 2.621 1.450 0.117 0.343 0.833 0.500 CA 0.940 Z: 7 2.104 1.228 0.408 0.373 0.833 0.333 CB 0.683 Z: 7 4.460 1.742 0.158 0.336 0.833 0.333 CB 1.296 7 residues pruned to eliminate duplicates Z: 31 16.335 1.949 0.369 0.376 0.867 0.633 CB 1.472 31 residues pruned to eliminate duplicates Z: 24 13.660 1.913 0.442 0.446 0.826 0.522 CB 1.321 24 residues pruned to eliminate duplicates Z: 33 13.065 1.939 0.360 0.419 0.750 0.562 CB 1.272 33 residues pruned to eliminate duplicates Z: 20 13.552 1.997 0.457 0.417 0.895 0.684 CB 1.303 20 residues pruned to eliminate duplicates Z: 48 20.685 1.970 0.453 0.396 0.894 0.468 CB 1.317 48 residues pruned to eliminate duplicates Z: 111 47.215 2.069 0.540 0.489 0.936 0.609 CB 1.525 111 residues pruned to eliminate duplicates Z: 14 11.111 1.849 0.435 0.430 0.846 0.615 CA 1.476 14 residues pruned to eliminate duplicates Z: 49 16.563 1.958 0.418 0.284 0.771 0.438 CB 1.425 49 residues pruned to eliminate duplicates Z: 17 8.018 1.719 0.331 0.364 0.812 0.375 CB 1.247 17 residues pruned to eliminate duplicates Z: 66 21.267 1.955 0.347 0.355 0.846 0.554 CB 1.385 66 residues pruned to eliminate duplicates Z: 55 25.049 2.011 0.419 0.419 0.889 0.574 CB 1.463 55 residues pruned to eliminate duplicates Z: 35 19.645 1.989 0.464 0.433 0.941 0.618 CB 1.318 35 residues pruned to eliminate duplicates Z: 48 19.333 1.951 0.407 0.396 0.872 0.532 CB 1.313 48 residues pruned to eliminate duplicates Z: 51 20.157 1.997 0.478 0.338 0.800 0.440 CB 1.440 51 residues pruned to eliminate duplicates Z: 24 14.493 2.035 0.349 0.403 0.913 0.522 CB 1.335 24 residues pruned to eliminate duplicates Z: 24 15.845 2.015 0.357 0.441 0.957 0.565 CB 1.342 24 residues pruned to eliminate duplicates Z: 11 10.730 2.069 0.253 0.482 0.900 0.600 CB 1.481 11 residues pruned to eliminate duplicates Z: 67 21.924 1.968 0.429 0.323 0.848 0.606 CB 1.374 67 residues pruned to eliminate duplicates Z: 78 40.033 2.055 0.584 0.532 0.935 0.662 CB 1.453 78 residues pruned to eliminate duplicates Z: 13 12.103 2.071 0.538 0.402 0.917 0.583 CB 1.327 13 residues pruned to eliminate duplicates Z: 22 17.806 2.034 0.524 0.427 0.952 0.619 CB 1.419 22 residues pruned to eliminate duplicates Z: 37 19.558 1.950 0.445 0.412 0.917 0.528 CB 1.384 37 residues pruned to eliminate duplicates Z: 17 10.759 1.930 0.423 0.408 0.812 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 19 13.546 1.891 0.366 0.506 0.889 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 13 14.773 1.829 0.622 0.694 0.917 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 19 13.356 1.920 0.583 0.439 0.889 0.444 CB 1.241 19 residues pruned to eliminate duplicates Z: 20 15.145 1.825 0.457 0.538 1.000 0.684 CB 1.259 20 residues pruned to eliminate duplicates Z: 17 15.733 1.928 0.622 0.523 0.938 0.688 CB 1.312 17 residues pruned to eliminate duplicates Z: 16 15.231 1.975 0.599 0.492 0.933 0.733 CB 1.344 16 residues pruned to eliminate duplicates Z: 14 15.038 1.963 0.644 0.547 0.846 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 25 17.230 1.959 0.542 0.450 0.833 0.667 CB 1.471 25 residues pruned to eliminate duplicates Z: 21 13.702 1.961 0.561 0.368 0.850 0.700 CB 1.356 21 residues pruned to eliminate duplicates Z: 34 20.502 1.845 0.729 0.452 0.848 0.697 CB 1.386 34 residues pruned to eliminate duplicates Z: 27 15.801 1.945 0.481 0.403 0.846 0.538 CB 1.408 27 residues pruned to eliminate duplicates Z: 27 19.936 1.984 0.741 0.436 0.846 0.615 CB 1.429 27 residues pruned to eliminate duplicates Z: 25 19.357 1.979 0.605 0.472 0.917 0.625 CB 1.396 25 residues pruned to eliminate duplicates Z: 27 17.267 1.880 0.787 0.415 0.846 0.615 CB 1.302 27 residues pruned to eliminate duplicates Z: 32 18.359 1.825 0.690 0.418 0.903 0.581 CB 1.289 32 residues pruned to eliminate duplicates Z: 17 9.571 1.859 0.362 0.328 0.875 0.500 CB 1.303 17 residues pruned to eliminate duplicates Z: 28 17.145 1.920 0.555 0.418 0.852 0.519 CB 1.413 28 residues pruned to eliminate duplicates Z: 33 25.064 2.049 0.671 0.557 0.906 0.531 CA 1.350 33 residues pruned to eliminate duplicates Z: 58 43.067 2.069 0.807 0.615 0.930 0.702 CB 1.472 58 residues pruned to eliminate duplicates Z: 47 37.378 2.041 0.722 0.594 0.957 0.783 CB 1.499 47 residues pruned to eliminate duplicates Z: 57 41.339 2.145 0.612 0.632 0.982 0.714 CA 1.438 57 residues pruned to eliminate duplicates Z: 60 40.351 2.062 0.764 0.567 0.932 0.644 CB 1.452 60 residues pruned to eliminate duplicates Z: 57 38.134 2.056 0.697 0.572 0.929 0.696 CA 1.468 57 residues pruned to eliminate duplicates Z: 36 32.548 2.078 0.883 0.650 0.943 0.771 CA 1.297 36 residues pruned to eliminate duplicates Z: 44 47.612 2.160 0.882 0.756 1.000 0.814 CA 1.422 44 residues pruned to eliminate duplicates Z: 69 49.204 2.088 0.727 0.628 0.956 0.676 CB 1.536 69 residues pruned to eliminate duplicates Z: 37 34.127 2.111 0.809 0.641 0.944 0.639 CB 1.382 37 residues pruned to eliminate duplicates Z: 67 50.955 2.108 0.777 0.642 0.985 0.758 CA 1.489 67 residues pruned to eliminate duplicates Z: 35 36.711 2.146 0.859 0.680 0.971 0.794 CA 1.378 35 residues pruned to eliminate duplicates Z: 39 38.018 2.082 0.944 0.634 0.921 0.605 CA 1.459 39 residues pruned to eliminate duplicates Z: 45 42.361 2.099 0.951 0.609 0.977 0.614 CA 1.439 45 residues pruned to eliminate duplicates Z: 65 46.103 2.110 0.745 0.587 0.953 0.625 CA 1.511 65 residues pruned to eliminate duplicates Z: 63 40.256 2.126 0.849 0.547 0.903 0.629 CB 1.375 63 residues pruned to eliminate duplicates Z: 78 48.784 2.126 0.741 0.544 0.948 0.636 CB 1.518 78 residues pruned to eliminate duplicates Z: 51 39.757 2.135 0.529 0.673 0.980 0.660 CA 1.499 51 residues pruned to eliminate duplicates Z: 46 41.055 2.013 0.863 0.666 0.978 0.622 CA 1.432 46 residues pruned to eliminate duplicates Z: 38 40.180 2.097 0.896 0.691 0.973 0.649 CA 1.433 38 residues pruned to eliminate duplicates Z: 38 46.344 2.164 0.880 0.723 0.973 0.811 CA 1.574 38 residues pruned to eliminate duplicates Z: 69 49.078 2.085 0.726 0.662 0.956 0.765 CB 1.489 69 residues pruned to eliminate duplicates Z: 40 41.188 2.100 0.840 0.692 0.949 0.590 CA 1.509 40 residues pruned to eliminate duplicates Z: 58 43.850 2.068 0.796 0.636 0.930 0.789 CB 1.481 58 residues pruned to eliminate duplicates Z: 40 36.467 2.105 0.575 0.721 1.000 0.718 CA 1.443 40 residues pruned to eliminate duplicates Z: 54 45.351 2.101 0.832 0.641 0.943 0.585 CA 1.504 54 residues pruned to eliminate duplicates Z: 52 42.883 2.123 0.792 0.648 0.902 0.549 CA 1.524 52 residues pruned to eliminate duplicates Z: 48 41.286 2.136 0.701 0.681 0.979 0.638 CA 1.434 48 residues pruned to eliminate duplicates Z: 45 44.658 2.152 0.733 0.715 1.000 0.773 CA 1.486 45 residues pruned to eliminate duplicates Z: 49 39.548 2.079 0.700 0.674 0.958 0.750 CA 1.435 49 residues pruned to eliminate duplicates Z: 54 43.322 2.100 0.723 0.645 0.943 0.585 CA 1.522 54 residues pruned to eliminate duplicates Z: 44 45.931 2.171 0.845 0.758 0.953 0.721 CA 1.457 44 residues pruned to eliminate duplicates Z: 52 46.784 2.138 0.857 0.678 0.980 0.667 CA 1.429 52 residues pruned to eliminate duplicates Z: 42 40.701 2.147 0.795 0.717 0.976 0.732 CA 1.390 42 residues pruned to eliminate duplicates Z: 44 42.936 2.157 0.745 0.753 0.977 0.767 CA 1.421 44 residues pruned to eliminate duplicates Z: 67 46.533 2.087 0.720 0.619 0.939 0.545 CA 1.517 67 residues pruned to eliminate duplicates Z: 53 42.935 2.101 0.706 0.657 0.962 0.635 CB 1.493 53 residues pruned to eliminate duplicates Z: 44 41.017 2.155 0.690 0.707 0.953 0.605 CA 1.492 44 residues pruned to eliminate duplicates Z: 52 48.645 2.150 0.913 0.656 0.941 0.510 CB 1.522 52 residues pruned to eliminate duplicates Z: 52 46.183 2.117 0.806 0.663 0.961 0.706 CA 1.514 52 residues pruned to eliminate duplicates Z: 17 19.883 1.960 0.512 0.667 1.000 0.750 CB 1.437 17 residues pruned to eliminate duplicates Z: 34 23.992 2.094 0.680 0.496 0.939 0.545 CB 1.269 34 residues pruned to eliminate duplicates Z: 46 32.825 2.113 0.775 0.504 0.933 0.489 CB 1.392 60 residues pruned to eliminate duplicates Z: 12 25.557 2.160 0.799 0.866 1.000 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 63 43.522 2.138 0.598 0.617 0.968 0.613 CA 1.497 63 residues pruned to eliminate duplicates Z: 79 50.031 2.139 0.761 0.566 0.923 0.603 CB 1.528 79 residues pruned to eliminate duplicates Z: 83 55.154 2.132 0.839 0.597 0.939 0.610 CB 1.508 83 residues pruned to eliminate duplicates Z: 46 32.705 2.129 0.784 0.502 0.933 0.467 CB 1.372 46 residues pruned to eliminate duplicates Z: 82 51.231 2.119 0.791 0.565 0.926 0.556 CB 1.521 82 residues pruned to eliminate duplicates Z: 32 23.697 2.077 0.881 0.414 0.871 0.516 CB 1.369 32 residues pruned to eliminate duplicates Z: 24 16.752 2.051 0.910 0.315 0.913 0.478 CB 1.198 24 residues pruned to eliminate duplicates Z: 61 50.590 2.196 0.741 0.635 0.983 0.550 CA 1.530 61 residues pruned to eliminate duplicates Z: 20 20.881 2.116 0.958 0.359 0.947 0.579 CB 1.421 20 residues pruned to eliminate duplicates Z: 96 56.171 2.133 0.774 0.577 0.947 0.621 CB 1.493 97 residues pruned to eliminate duplicates Z: 6 6.482 1.688 1.087 0.459 0.800 0.400 CB 1.073 6 residues pruned to eliminate duplicates Z: 21 20.319 2.081 0.814 0.480 0.900 0.550 CB 1.365 20 residues pruned to eliminate duplicates Z: 6 5.287 1.842 0.806 0.306 0.800 0.200 CB 1.102 6 residues pruned to eliminate duplicates Z: 97 50.034 2.109 0.728 0.526 0.917 0.500 CB 1.490 97 residues pruned to eliminate duplicates Z: 23 20.349 2.071 0.816 0.428 0.909 0.455 CB 1.368 23 residues pruned to eliminate duplicates Z: 43 30.727 2.129 0.711 0.510 0.929 0.500 CB 1.388 43 residues pruned to eliminate duplicates Z: 29 20.060 2.150 0.834 0.357 0.929 0.393 CB 1.208 29 residues pruned to eliminate duplicates Z: 97 56.346 2.136 0.810 0.573 0.927 0.552 CB 1.495 97 residues pruned to eliminate duplicates Z: 13 22.403 2.134 0.796 0.639 0.917 0.583 CB 1.617 13 residues pruned to eliminate duplicates Z: 14 21.381 2.042 0.866 0.604 0.923 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 10 14.358 1.827 0.443 0.843 0.889 0.778 CA 1.521 10 residues pruned to eliminate duplicates Z: 80 56.166 2.161 0.800 0.597 0.962 0.582 CA 1.540 81 residues pruned to eliminate duplicates Z: 10 14.209 1.826 0.530 0.805 0.889 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 12 12.208 1.683 0.553 0.730 0.818 0.455 CA 1.400 11 residues pruned to eliminate duplicates Z: 11 8.950 1.698 0.339 0.719 0.800 0.600 CA 1.276 11 residues pruned to eliminate duplicates Z: 18 9.899 2.029 0.558 0.307 0.824 0.471 CB 1.142 18 residues pruned to eliminate duplicates Z: 20 12.876 2.067 0.584 0.291 0.842 0.421 CB 1.355 20 residues pruned to eliminate duplicates Z: 19 11.778 2.032 0.596 0.299 0.778 0.444 CB 1.377 19 residues pruned to eliminate duplicates Z: 8 7.281 2.077 0.555 0.206 1.000 0.286 CB 1.207 8 residues pruned to eliminate duplicates Z: 19 13.796 1.998 0.666 0.332 0.889 0.556 CB 1.322 19 residues pruned to eliminate duplicates Z: 21 10.706 2.022 0.560 0.286 0.750 0.400 CB 1.287 21 residues pruned to eliminate duplicates Z: 16 12.345 2.042 0.568 0.364 0.867 0.400 CB 1.329 16 residues pruned to eliminate duplicates Z: 22 12.592 1.932 0.562 0.287 0.905 0.476 CB 1.278 22 residues pruned to eliminate duplicates Z: 19 11.301 1.971 0.608 0.347 0.833 0.500 CB 1.191 19 residues pruned to eliminate duplicates Z: 19 15.654 2.069 0.661 0.405 0.889 0.556 CB 1.336 19 residues pruned to eliminate duplicates Z: 15 13.130 2.029 0.744 0.455 0.857 0.357 CB 1.211 15 residues pruned to eliminate duplicates Z: 9 15.703 2.052 0.851 0.628 0.875 0.750 CA 1.482 9 residues pruned to eliminate duplicates Z: 20 9.841 1.893 0.515 0.425 0.789 0.421 CB 1.078 20 residues pruned to eliminate duplicates Z: 28 10.022 1.807 0.528 0.292 0.852 0.370 CB 1.036 28 residues pruned to eliminate duplicates Z: 21 12.007 2.019 0.489 0.328 0.900 0.500 CB 1.197 21 residues pruned to eliminate duplicates Z: 21 15.658 1.962 0.687 0.474 0.850 0.500 CB 1.277 21 residues pruned to eliminate duplicates Z: 17 11.840 1.900 0.532 0.480 0.812 0.625 CA 1.277 17 residues pruned to eliminate duplicates Z: 22 12.600 1.918 0.648 0.305 0.905 0.524 CB 1.195 22 residues pruned to eliminate duplicates Z: 34 10.950 1.852 0.513 0.290 0.818 0.455 CB 1.053 44 residues pruned to eliminate duplicates 697 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 8 D: 13 E: 9 F: 6 G: 10 H: 7 I: 9 J: 17 K: 10 L: 18 M: 35 N: 129 O: 108 P: 22 Q: 16 R: 10 S: 156 T: 38 U: 63 CC for partial structure against native data = 26.44 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.384, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.524, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.559, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6436 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1313 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 15.289 2.017 0.580 0.889 1.000 0.667 CA 1.410 B: 36 23.192 1.994 0.461 0.471 1.000 0.686 CB 1.386 C: 8 13.846 1.931 0.403 0.883 1.000 0.714 CB 1.396 8 residues pruned to eliminate duplicates D: 20 30.699 2.200 0.597 0.913 1.000 0.737 CB 1.419 E: 18 18.653 2.113 0.226 0.861 1.000 0.824 CB 1.283 18 residues pruned to eliminate duplicates F: 11 19.249 2.148 0.697 0.912 0.900 0.900 CB 1.314 G: 20 24.951 2.188 1.266 0.379 0.842 0.421 CB 1.559 H: 22 32.313 2.024 0.788 0.907 0.952 0.905 CB 1.454 I: 8 7.482 1.618 0.208 0.805 0.857 0.429 O 1.293 J: 13 21.154 2.015 0.624 0.818 1.000 0.667 CA 1.416 12 residues pruned to eliminate duplicates K: 22 36.099 2.049 0.863 0.944 1.000 0.810 CB 1.429 22 residues pruned to eliminate duplicates L: 35 18.768 2.109 0.595 0.316 0.824 0.471 CB 1.423 M: 15 13.014 1.994 0.454 0.517 0.857 0.643 CB 1.376 N: 6 5.407 1.712 0.354 0.784 0.800 0.400 CB 1.016 6 residues pruned to eliminate duplicates O: 10 8.511 1.892 -0.016 0.839 0.889 0.889 CA 1.279 P: 35 21.840 2.029 0.453 0.444 0.941 0.588 CB 1.431 35 residues pruned to eliminate duplicates Q: 19 24.611 1.971 0.604 0.841 0.944 0.833 CB 1.448 19 residues pruned to eliminate duplicates R: 21 33.581 2.059 0.578 0.926 1.000 0.900 CA 1.620 21 residues pruned to eliminate duplicates S: 31 19.554 2.078 0.604 0.503 0.867 0.533 CB 1.232 29 residues pruned to eliminate duplicates T: 11 16.853 2.108 0.509 0.808 1.000 0.700 CB 1.280 11 residues pruned to eliminate duplicates U: 21 24.670 2.138 0.415 0.930 1.000 0.850 CB 1.275 19 residues pruned to eliminate duplicates V: 32 23.284 2.082 0.517 0.470 0.935 0.548 CB 1.458 W: 11 14.311 1.856 0.754 0.901 1.000 0.700 CB 0.992 X: 19 33.306 2.167 0.871 0.864 0.889 0.833 CB 1.597 Y: 12 13.089 1.983 0.454 0.755 0.818 0.455 CB 1.333 12 residues pruned to eliminate duplicates Z: 10 24.997 2.187 0.785 0.913 1.000 0.444 CA 1.511 11 residues pruned to eliminate duplicates Z: 18 14.135 1.927 0.442 0.572 0.882 0.765 CB 1.305 19 residues pruned to eliminate duplicates Z: 22 38.193 2.196 0.664 0.912 1.000 0.857 CA 1.615 19 residues pruned to eliminate duplicates Z: 12 13.500 2.060 0.291 0.876 1.000 1.000 CB 1.112 10 residues pruned to eliminate duplicates Z: 10 8.423 1.869 0.450 0.314 1.000 0.444 CB 1.273 Z: 20 29.298 2.098 0.630 0.930 1.000 0.737 CA 1.375 Z: 14 18.545 2.035 0.944 0.508 0.923 0.692 CA 1.398 Z: 22 35.080 2.194 0.560 0.929 1.000 0.952 CA 1.565 22 residues pruned to eliminate duplicates Z: 21 26.579 1.926 0.590 0.881 0.950 0.650 CA 1.480 20 residues pruned to eliminate duplicates Z: 10 11.241 1.909 0.310 0.751 0.889 0.444 CB 1.347 10 residues pruned to eliminate duplicates Z: 37 24.877 1.941 0.737 0.436 0.917 0.556 CB 1.433 26 residues pruned to eliminate duplicates Z: 20 41.140 2.270 0.874 0.937 0.947 0.632 CB 1.629 20 residues pruned to eliminate duplicates Z: 22 31.417 2.007 0.555 0.936 1.000 1.000 CA 1.529 22 residues pruned to eliminate duplicates Z: 16 9.719 1.976 0.358 0.408 0.800 0.400 CB 1.286 10 residues pruned to eliminate duplicates Z: 48 39.659 2.130 0.783 0.592 0.894 0.723 CA 1.562 39 residues pruned to eliminate duplicates Z: 21 40.460 2.253 0.790 0.923 1.000 0.800 CA 1.577 21 residues pruned to eliminate duplicates Z: 21 32.346 2.019 0.817 0.855 0.950 0.650 CA 1.531 20 residues pruned to eliminate duplicates Z: 20 38.171 2.251 0.739 0.949 1.000 0.895 CA 1.544 20 residues pruned to eliminate duplicates Z: 75 45.760 2.135 0.723 0.568 0.973 0.622 CB 1.392 65 residues pruned to eliminate duplicates Z: 36 21.980 1.995 0.449 0.467 0.943 0.686 CB 1.409 35 residues pruned to eliminate duplicates Z: 20 44.061 2.321 0.878 0.930 1.000 0.947 CB 1.621 20 residues pruned to eliminate duplicates Z: 22 33.480 2.192 0.679 0.887 0.905 0.524 CB 1.583 22 residues pruned to eliminate duplicates Z: 9 11.302 1.876 0.408 0.879 0.875 0.625 CA 1.254 8 residues pruned to eliminate duplicates Z: 9 5.084 1.877 0.787 0.305 0.625 0.375 CA 1.066 9 residues pruned to eliminate duplicates Z: 9 10.616 1.945 0.609 0.566 1.000 0.500 CB 1.126 Z: 42 19.860 1.948 0.446 0.389 0.902 0.610 CB 1.373 15 residues pruned to eliminate duplicates Z: 25 20.395 1.959 0.426 0.500 0.958 0.542 CB 1.555 26 residues pruned to eliminate duplicates Z: 15 21.554 2.094 0.638 0.938 0.929 0.857 CA 1.257 15 residues pruned to eliminate duplicates Z: 9 6.249 1.828 0.395 0.775 0.625 0.500 CB 1.087 9 residues pruned to eliminate duplicates Z: 8 7.103 1.804 0.204 0.526 1.000 0.571 CB 1.206 Z: 19 35.118 2.270 0.758 0.908 0.889 0.611 CB 1.658 19 residues pruned to eliminate duplicates Z: 6 5.114 1.880 0.313 0.651 0.800 0.800 CB 1.006 Z: 22 34.174 2.006 0.986 0.935 0.952 0.714 CB 1.370 22 residues pruned to eliminate duplicates Z: 20 28.008 2.017 0.511 0.910 1.000 0.895 CB 1.495 20 residues pruned to eliminate duplicates Z: 69 26.541 2.009 0.413 0.380 0.926 0.603 CB 1.392 75 residues pruned to eliminate duplicates Z: 12 14.017 1.959 0.560 0.550 0.909 0.455 CA 1.449 Z: 72 42.775 2.074 0.605 0.607 0.915 0.634 CA 1.505 63 residues pruned to eliminate duplicates Z: 8 20.746 2.132 0.804 0.770 1.000 0.857 CB 1.605 Z: 9 12.938 1.898 0.243 0.741 1.000 0.875 CB 1.562 8 residues pruned to eliminate duplicates Z: 22 11.023 1.867 0.475 0.353 0.810 0.381 CB 1.266 Z: 20 29.173 2.156 0.651 0.899 1.000 0.737 CB 1.344 20 residues pruned to eliminate duplicates Z: 19 15.644 1.895 0.537 0.599 0.889 0.778 CB 1.295 19 residues pruned to eliminate duplicates Z: 20 8.547 1.730 0.511 0.357 0.789 0.421 CB 1.108 Z: 38 16.891 1.966 0.669 0.355 0.784 0.405 CB 1.263 20 residues pruned to eliminate duplicates Z: 16 10.624 1.895 0.464 0.440 0.867 0.533 CB 1.213 16 residues pruned to eliminate duplicates Z: 36 19.210 1.968 0.459 0.447 0.943 0.714 CB 1.266 36 residues pruned to eliminate duplicates Z: 14 22.058 2.086 0.505 0.893 1.000 0.846 CA 1.399 14 residues pruned to eliminate duplicates Z: 33 16.107 1.938 0.383 0.435 0.812 0.531 CB 1.397 33 residues pruned to eliminate duplicates Z: 22 41.632 2.223 0.752 0.923 1.000 0.762 CB 1.639 22 residues pruned to eliminate duplicates Z: 35 24.437 2.046 0.517 0.486 0.941 0.706 CB 1.455 35 residues pruned to eliminate duplicates Z: 10 11.621 1.796 0.493 0.771 0.778 0.556 CA 1.461 10 residues pruned to eliminate duplicates Z: 17 13.793 1.951 0.473 0.485 0.875 0.750 CA 1.393 Z: 11 16.438 2.163 0.517 0.882 1.000 0.600 CB 1.146 11 residues pruned to eliminate duplicates Z: 35 18.370 1.991 0.507 0.464 0.824 0.588 CB 1.322 35 residues pruned to eliminate duplicates Z: 35 25.141 2.052 0.739 0.363 0.941 0.529 CB 1.489 35 residues pruned to eliminate duplicates Z: 16 11.271 1.940 0.545 0.389 0.733 0.467 CA 1.490 16 residues pruned to eliminate duplicates Z: 18 29.962 2.215 0.831 0.913 0.824 0.588 CB 1.539 18 residues pruned to eliminate duplicates Z: 22 34.839 2.065 0.892 0.920 0.952 0.571 CB 1.439 22 residues pruned to eliminate duplicates Z: 13 11.400 1.965 0.316 0.416 0.917 0.583 C 1.516 13 residues pruned to eliminate duplicates Z: 17 7.324 1.727 0.141 0.391 1.000 0.562 CB 1.043 Z: 15 7.880 1.718 0.477 0.389 0.786 0.429 CB 1.189 10 residues pruned to eliminate duplicates Z: 11 14.860 1.923 0.582 0.891 0.900 0.900 CB 1.233 11 residues pruned to eliminate duplicates Z: 9 11.668 1.704 0.325 0.846 1.000 0.750 CA 1.358 9 residues pruned to eliminate duplicates Z: 21 42.521 2.290 0.835 0.890 1.000 0.650 CB 1.627 21 residues pruned to eliminate duplicates Z: 37 34.970 2.069 0.722 0.640 0.917 0.806 CA 1.566 37 residues pruned to eliminate duplicates Z: 38 17.050 1.953 0.369 0.467 0.865 0.622 CB 1.254 21 residues pruned to eliminate duplicates Z: 21 43.974 2.224 1.015 0.935 0.950 0.550 CB 1.610 21 residues pruned to eliminate duplicates Z: 33 39.637 2.119 0.755 0.706 0.969 0.875 CB 1.613 33 residues pruned to eliminate duplicates Z: 21 26.594 2.033 0.569 0.907 0.950 0.550 CB 1.395 21 residues pruned to eliminate duplicates Z: 33 17.535 1.856 0.714 0.368 0.844 0.562 CB 1.330 24 residues pruned to eliminate duplicates Z: 7 11.138 2.052 0.343 0.638 1.000 0.667 CB 1.450 8 residues pruned to eliminate duplicates Z: 41 27.098 1.975 0.694 0.469 0.925 0.525 CA 1.429 41 residues pruned to eliminate duplicates Z: 16 10.088 2.011 0.384 0.419 0.733 0.533 CB 1.389 17 residues pruned to eliminate duplicates Z: 50 20.633 1.984 0.486 0.394 0.878 0.592 CB 1.274 48 residues pruned to eliminate duplicates Z: 32 22.976 2.072 0.716 0.414 0.871 0.452 CA 1.457 32 residues pruned to eliminate duplicates Z: 35 24.040 2.133 0.554 0.475 0.882 0.471 CB 1.447 35 residues pruned to eliminate duplicates Z: 23 15.957 1.973 0.464 0.442 0.818 0.636 CB 1.529 30 residues pruned to eliminate duplicates Z: 22 39.569 2.191 0.838 0.894 1.000 0.619 CB 1.539 22 residues pruned to eliminate duplicates Z: 8 9.506 1.933 0.747 0.457 0.714 0.571 CB 1.557 8 residues pruned to eliminate duplicates Z: 12 6.896 1.808 0.406 0.471 0.818 0.636 CB 1.029 5 residues pruned to eliminate duplicates Z: 14 24.372 2.144 0.473 0.927 1.000 0.923 CA 1.501 14 residues pruned to eliminate duplicates Z: 31 30.300 2.086 0.424 0.720 0.967 0.733 CB 1.580 23 residues pruned to eliminate duplicates Z: 50 19.006 2.010 0.468 0.310 0.796 0.429 CB 1.427 50 residues pruned to eliminate duplicates Z: 10 10.018 2.076 0.767 0.490 0.778 0.556 CB 1.183 10 residues pruned to eliminate duplicates Z: 13 13.007 2.001 0.225 0.907 1.000 0.750 CB 1.089 13 residues pruned to eliminate duplicates Z: 19 17.091 2.004 0.317 0.904 0.944 0.833 CA 1.151 19 residues pruned to eliminate duplicates Z: 12 12.806 1.925 0.358 0.826 0.909 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 11.293 1.754 0.542 0.461 0.917 0.667 CA 1.368 Z: 21 29.398 2.202 0.421 0.944 1.000 0.800 CB 1.455 21 residues pruned to eliminate duplicates Z: 14 15.769 1.992 0.503 0.437 0.923 0.692 CA 1.688 14 residues pruned to eliminate duplicates Z: 21 17.236 1.980 0.495 0.524 0.900 0.650 CA 1.413 21 residues pruned to eliminate duplicates Z: 21 22.047 2.005 0.346 0.933 1.000 0.850 CA 1.275 21 residues pruned to eliminate duplicates Z: 24 13.817 1.714 0.608 0.458 0.913 0.565 CB 1.195 20 residues pruned to eliminate duplicates Z: 20 46.115 2.287 0.922 0.934 1.000 0.474 CB 1.678 20 residues pruned to eliminate duplicates Z: 19 12.671 1.918 0.368 0.554 0.944 0.778 CB 1.143 19 residues pruned to eliminate duplicates Z: 7 4.088 1.794 0.490 0.529 0.667 0.500 CB 0.911 Z: 17 8.474 1.847 0.477 0.404 0.750 0.500 CB 1.145 17 residues pruned to eliminate duplicates Z: 21 22.565 2.037 0.477 0.742 0.950 0.850 CB 1.421 21 residues pruned to eliminate duplicates Z: 8 6.383 1.822 0.194 0.591 0.857 0.714 CB 1.186 Z: 10 9.854 1.937 0.331 0.595 1.000 0.667 CB 1.163 Z: 13 14.745 1.954 0.600 0.546 0.917 0.583 CB 1.420 13 residues pruned to eliminate duplicates Z: 22 32.027 2.137 0.711 0.912 0.952 0.762 CB 1.421 22 residues pruned to eliminate duplicates Z: 35 16.669 2.114 0.461 0.325 0.794 0.500 CB 1.413 34 residues pruned to eliminate duplicates Z: 7 5.900 1.565 0.805 0.610 0.833 0.500 CA 0.922 Z: 22 27.842 1.974 0.876 0.924 1.000 0.714 CB 1.153 22 residues pruned to eliminate duplicates Z: 7 4.904 1.759 0.165 0.538 1.000 0.667 CB 0.941 Z: 18 20.510 2.113 0.658 0.573 0.882 0.588 CB 1.500 16 residues pruned to eliminate duplicates Z: 81 44.743 2.067 0.607 0.594 0.938 0.613 CA 1.469 73 residues pruned to eliminate duplicates Z: 11 14.400 2.145 0.357 0.810 0.900 0.600 CB 1.326 11 residues pruned to eliminate duplicates Z: 16 9.964 1.747 0.642 0.394 0.800 0.467 CA 1.254 16 residues pruned to eliminate duplicates Z: 8 11.143 1.894 0.553 0.657 1.000 0.714 CB 1.237 Z: 7 17.315 2.061 1.053 0.840 1.000 0.833 CA 1.246 9 residues pruned to eliminate duplicates Z: 21 24.368 1.944 0.420 0.923 1.000 0.900 CA 1.387 21 residues pruned to eliminate duplicates Z: 20 10.115 1.707 0.471 0.389 0.789 0.579 CA 1.317 20 residues pruned to eliminate duplicates Z: 17 15.962 2.182 0.384 0.431 0.875 0.688 CA 1.622 17 residues pruned to eliminate duplicates Z: 7 8.868 1.961 0.491 0.852 0.667 0.667 CB 1.373 7 residues pruned to eliminate duplicates Z: 34 24.456 2.058 0.556 0.493 0.939 0.636 CB 1.425 34 residues pruned to eliminate duplicates Z: 6 3.975 1.962 0.126 0.586 0.600 0.600 N 1.235 6 residues pruned to eliminate duplicates Z: 35 23.470 2.052 0.492 0.465 0.941 0.618 CB 1.447 35 residues pruned to eliminate duplicates Z: 12 9.150 1.955 0.463 0.484 0.818 0.545 CB 1.199 10 residues pruned to eliminate duplicates Z: 16 11.747 1.971 0.677 0.374 0.733 0.467 CB 1.433 Z: 8 7.864 1.709 0.360 0.540 1.000 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 10 16.613 1.757 0.742 0.820 1.000 0.778 CB 1.371 10 residues pruned to eliminate duplicates Z: 19 9.353 1.708 0.426 0.405 0.944 0.722 CB 1.058 19 residues pruned to eliminate duplicates Z: 34 23.651 2.080 0.492 0.480 0.909 0.576 CB 1.490 34 residues pruned to eliminate duplicates Z: 9 17.756 1.889 0.895 0.890 1.000 0.750 CA 1.261 9 residues pruned to eliminate duplicates Z: 25 18.460 2.033 0.603 0.454 0.875 0.667 CB 1.385 25 residues pruned to eliminate duplicates Z: 32 26.335 2.110 0.500 0.504 0.968 0.581 CB 1.539 34 residues pruned to eliminate duplicates Z: 10 9.821 2.069 0.772 0.379 0.778 0.667 CB 1.305 17 residues pruned to eliminate duplicates Z: 11 16.089 1.729 0.795 0.841 0.900 0.600 CB 1.358 11 residues pruned to eliminate duplicates Z: 22 11.995 1.907 0.209 0.466 0.952 0.619 CA 1.234 18 residues pruned to eliminate duplicates Z: 22 11.335 1.880 0.352 0.348 0.857 0.429 CB 1.340 22 residues pruned to eliminate duplicates Z: 36 12.625 1.972 0.387 0.282 0.771 0.400 CB 1.292 36 residues pruned to eliminate duplicates Z: 54 36.708 2.092 0.634 0.686 0.943 0.811 CA 1.319 54 residues pruned to eliminate duplicates Z: 17 16.232 2.139 0.433 0.395 0.875 0.500 CB 1.692 17 residues pruned to eliminate duplicates Z: 6 12.190 1.823 0.638 0.726 1.000 0.600 CB 1.489 Z: 8 3.825 1.551 0.197 0.510 0.857 0.571 CB 0.899 Z: 22 40.141 2.240 0.762 0.888 1.000 0.762 CB 1.599 22 residues pruned to eliminate duplicates Z: 10 17.862 1.936 0.824 0.836 1.000 0.667 CA 1.262 10 residues pruned to eliminate duplicates Z: 8 11.333 1.904 0.776 0.627 0.857 0.857 CB 1.311 8 residues pruned to eliminate duplicates Z: 37 38.183 2.059 0.798 0.650 0.944 0.667 CB 1.582 37 residues pruned to eliminate duplicates Z: 22 34.775 2.033 0.640 0.948 1.000 0.905 CB 1.571 22 residues pruned to eliminate duplicates Z: 21 40.518 2.287 0.730 0.913 1.000 0.750 CB 1.620 21 residues pruned to eliminate duplicates Z: 8 4.895 1.649 0.078 0.593 0.857 0.857 CB 1.111 8 residues pruned to eliminate duplicates Z: 21 28.317 1.924 1.043 0.904 0.950 0.450 CB 1.208 21 residues pruned to eliminate duplicates Z: 7 5.610 1.856 0.068 0.681 0.833 0.500 CB 1.174 7 residues pruned to eliminate duplicates Z: 71 44.719 1.978 0.870 0.605 0.914 0.614 CB 1.431 26 residues pruned to eliminate duplicates Z: 22 30.922 2.135 0.671 0.921 0.905 0.571 CB 1.471 22 residues pruned to eliminate duplicates Z: 21 39.904 2.261 0.700 0.914 1.000 0.800 CA 1.642 21 residues pruned to eliminate duplicates Z: 12 5.438 1.797 0.299 0.469 0.909 0.727 CB 0.797 12 residues pruned to eliminate duplicates Z: 31 16.764 1.930 0.559 0.443 0.867 0.533 CB 1.245 21 residues pruned to eliminate duplicates Z: 9 8.892 1.952 0.617 0.501 0.875 0.625 CB 1.138 9 residues pruned to eliminate duplicates Z: 15 20.836 2.206 0.342 0.887 1.000 0.786 CB 1.356 15 residues pruned to eliminate duplicates Z: 37 24.434 1.943 0.651 0.487 0.917 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 12 9.168 1.852 0.825 0.479 0.636 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 18 28.181 2.072 0.679 0.933 0.941 0.647 CA 1.457 18 residues pruned to eliminate duplicates Z: 21 38.659 2.032 1.083 0.906 1.000 0.700 CB 1.453 21 residues pruned to eliminate duplicates Z: 28 18.325 1.973 0.655 0.473 0.815 0.444 CB 1.362 28 residues pruned to eliminate duplicates Z: 25 13.598 2.058 0.383 0.287 0.875 0.542 CB 1.417 25 residues pruned to eliminate duplicates Z: 9 10.506 2.070 0.166 0.618 1.000 0.750 CA 1.376 9 residues pruned to eliminate duplicates Z: 7 2.826 1.697 -0.054 0.453 0.833 0.667 CB 0.905 7 residues pruned to eliminate duplicates Z: 12 17.518 2.073 0.623 0.866 1.000 0.818 CA 1.149 12 residues pruned to eliminate duplicates Z: 30 16.957 1.996 0.582 0.441 0.862 0.655 CB 1.230 30 residues pruned to eliminate duplicates Z: 16 26.995 2.105 0.883 0.916 0.867 0.667 CB 1.433 16 residues pruned to eliminate duplicates Z: 16 11.055 1.899 0.605 0.371 0.867 0.467 CB 1.241 16 residues pruned to eliminate duplicates Z: 25 17.449 1.829 0.737 0.512 0.917 0.542 CB 1.208 25 residues pruned to eliminate duplicates Z: 7 5.872 1.697 0.787 0.392 0.833 0.500 CB 1.064 Z: 14 14.314 1.898 0.759 0.610 0.923 0.692 CB 1.160 14 residues pruned to eliminate duplicates Z: 10 15.640 1.922 0.540 0.915 1.000 1.000 CB 1.244 10 residues pruned to eliminate duplicates Z: 14 9.915 1.773 0.507 0.548 0.846 0.538 CB 1.161 14 residues pruned to eliminate duplicates Z: 8 8.163 1.908 0.442 0.677 0.857 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 21 30.595 2.050 0.679 0.893 1.000 0.850 CA 1.427 21 residues pruned to eliminate duplicates Z: 6 12.488 2.051 0.640 0.789 1.000 0.800 CA 1.288 6 residues pruned to eliminate duplicates Z: 7 2.806 1.666 -0.068 0.571 0.833 0.500 CA 0.827 Z: 48 36.337 1.988 0.646 0.646 0.957 0.766 CA 1.475 48 residues pruned to eliminate duplicates Z: 63 47.256 2.101 0.839 0.576 0.952 0.694 CA 1.518 63 residues pruned to eliminate duplicates Z: 14 9.178 1.936 0.157 0.421 1.000 0.846 CB 1.234 14 residues pruned to eliminate duplicates Z: 14 15.197 1.885 0.636 0.571 1.000 0.692 CB 1.276 14 residues pruned to eliminate duplicates Z: 11 7.275 1.499 0.583 0.375 0.900 0.600 CA 1.231 11 residues pruned to eliminate duplicates Z: 21 30.137 1.987 0.723 0.944 0.950 0.650 CA 1.435 21 residues pruned to eliminate duplicates Z: 17 9.423 1.831 0.288 0.451 0.812 0.625 CB 1.294 17 residues pruned to eliminate duplicates Z: 36 17.151 2.027 0.400 0.318 0.829 0.429 CB 1.507 36 residues pruned to eliminate duplicates Z: 22 39.139 2.034 0.952 0.910 1.000 0.619 CB 1.525 22 residues pruned to eliminate duplicates Z: 21 13.317 1.730 0.626 0.445 0.850 0.600 CB 1.317 21 residues pruned to eliminate duplicates Z: 37 19.834 2.019 0.416 0.420 0.944 0.472 CB 1.330 37 residues pruned to eliminate duplicates Z: 13 22.740 2.141 0.436 0.917 1.000 0.750 CA 1.507 13 residues pruned to eliminate duplicates Z: 21 42.490 2.288 0.696 0.924 1.000 0.900 CA 1.720 21 residues pruned to eliminate duplicates Z: 82 54.977 2.134 0.736 0.619 0.963 0.667 CB 1.530 81 residues pruned to eliminate duplicates Z: 23 22.163 1.871 0.344 0.905 1.000 1.000 CA 1.337 23 residues pruned to eliminate duplicates Z: 18 11.433 2.112 0.320 0.323 0.882 0.412 CB 1.369 18 residues pruned to eliminate duplicates Z: 26 27.672 2.129 0.415 0.722 0.960 0.840 CA 1.566 26 residues pruned to eliminate duplicates Z: 36 31.944 2.144 0.652 0.650 0.971 0.771 CA 1.364 36 residues pruned to eliminate duplicates Z: 15 8.778 1.689 0.463 0.515 0.929 0.429 CB 1.007 15 residues pruned to eliminate duplicates Z: 13 13.251 2.038 0.404 0.496 1.000 0.667 CA 1.342 13 residues pruned to eliminate duplicates Z: 80 47.505 2.095 0.712 0.617 0.924 0.570 CB 1.444 80 residues pruned to eliminate duplicates Z: 14 8.862 1.862 0.341 0.463 0.846 0.538 CB 1.208 14 residues pruned to eliminate duplicates Z: 22 29.554 1.979 0.541 0.925 1.000 0.905 CB 1.484 22 residues pruned to eliminate duplicates Z: 10 3.348 1.364 0.277 0.266 0.778 0.444 CA 1.075 Z: 35 21.904 2.029 0.443 0.491 0.912 0.618 CB 1.420 35 residues pruned to eliminate duplicates Z: 9 5.375 1.931 0.354 0.323 0.750 0.375 CB 1.177 9 residues pruned to eliminate duplicates Z: 19 15.610 1.996 0.725 0.408 0.889 0.500 CB 1.324 19 residues pruned to eliminate duplicates Z: 31 17.404 1.930 0.392 0.436 0.867 0.567 CB 1.457 31 residues pruned to eliminate duplicates Z: 19 26.600 2.105 0.819 0.885 0.944 0.444 CB 1.252 19 residues pruned to eliminate duplicates Z: 7 4.141 1.592 0.283 0.429 0.833 0.667 CA 1.068 7 residues pruned to eliminate duplicates Z: 8 8.319 1.928 0.114 0.654 0.857 0.714 CB 1.480 8 residues pruned to eliminate duplicates Z: 8 5.156 1.553 0.470 0.365 0.857 0.571 CA 1.151 8 residues pruned to eliminate duplicates Z: 35 22.065 2.015 0.498 0.477 0.912 0.647 CB 1.407 35 residues pruned to eliminate duplicates Z: 33 17.916 2.008 0.544 0.362 0.844 0.594 CB 1.406 33 residues pruned to eliminate duplicates Z: 17 10.730 1.884 0.413 0.360 0.875 0.562 CA 1.339 17 residues pruned to eliminate duplicates Z: 20 14.739 1.994 0.395 0.526 0.842 0.474 CB 1.406 20 residues pruned to eliminate duplicates Z: 11 8.500 1.818 0.584 0.513 0.800 0.600 CB 1.152 9 residues pruned to eliminate duplicates Z: 12 6.580 2.001 0.523 0.254 0.636 0.364 CB 1.357 12 residues pruned to eliminate duplicates Z: 8 9.863 1.974 0.262 0.735 1.000 0.714 CA 1.212 8 residues pruned to eliminate duplicates Z: 8 13.455 1.962 0.636 0.812 1.000 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 19 31.609 2.086 0.834 0.909 0.944 0.667 CA 1.463 19 residues pruned to eliminate duplicates Z: 11 16.976 2.122 0.511 0.851 0.900 0.600 CB 1.377 11 residues pruned to eliminate duplicates Z: 23 30.409 2.188 0.554 0.884 0.955 0.864 CB 1.443 23 residues pruned to eliminate duplicates Z: 6 2.192 1.808 0.183 0.283 0.400 0.400 CB 1.463 6 residues pruned to eliminate duplicates Z: 22 36.119 2.023 0.808 0.925 1.000 0.762 CB 1.513 22 residues pruned to eliminate duplicates Z: 7 3.274 1.625 0.555 0.557 0.667 0.500 CB 0.751 Z: 22 34.936 2.179 0.642 0.940 1.000 0.667 CB 1.480 22 residues pruned to eliminate duplicates Z: 11 5.568 1.573 0.383 0.496 0.800 0.400 CB 1.016 17 residues pruned to eliminate duplicates Z: 7 5.525 1.535 0.526 0.444 1.000 0.500 N 1.019 Z: 13 11.341 1.945 0.572 0.644 0.917 0.667 CA 1.021 13 residues pruned to eliminate duplicates Z: 17 14.442 1.981 0.387 0.559 0.938 0.750 CB 1.323 16 residues pruned to eliminate duplicates Z: 8 6.985 1.734 0.261 0.751 1.000 0.571 CB 0.965 8 residues pruned to eliminate duplicates Z: 25 15.894 2.021 0.439 0.427 0.792 0.542 CA 1.520 23 residues pruned to eliminate duplicates Z: 14 10.188 1.828 0.610 0.456 0.769 0.538 CB 1.305 13 residues pruned to eliminate duplicates Z: 6 6.070 1.574 0.498 0.815 1.000 0.800 CB 0.875 7 residues pruned to eliminate duplicates Z: 6 2.713 1.294 0.115 0.776 0.800 0.800 CA 0.824 6 residues pruned to eliminate duplicates Z: 36 22.894 2.001 0.499 0.464 0.971 0.600 CB 1.378 36 residues pruned to eliminate duplicates Z: 19 11.608 1.939 0.504 0.412 0.833 0.556 CB 1.235 19 residues pruned to eliminate duplicates Z: 15 13.554 1.939 0.536 0.583 0.786 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 18 13.954 1.826 0.617 0.535 0.882 0.706 CB 1.254 14 residues pruned to eliminate duplicates Z: 15 9.094 1.811 0.461 0.337 0.857 0.643 CB 1.281 13 residues pruned to eliminate duplicates Z: 27 18.228 1.902 0.685 0.512 0.885 0.654 CB 1.246 27 residues pruned to eliminate duplicates Z: 40 16.406 2.021 0.364 0.324 0.846 0.487 CB 1.367 40 residues pruned to eliminate duplicates Z: 19 12.162 1.881 0.282 0.550 0.889 0.611 CB 1.274 19 residues pruned to eliminate duplicates Z: 11 13.335 1.966 0.455 0.522 1.000 0.800 CA 1.443 11 residues pruned to eliminate duplicates Z: 18 28.846 1.990 0.654 0.927 1.000 0.706 CB 1.489 18 residues pruned to eliminate duplicates Z: 11 7.170 1.794 0.188 0.446 0.900 0.500 CA 1.250 Z: 21 32.541 2.172 0.685 0.943 0.950 0.600 CB 1.450 21 residues pruned to eliminate duplicates Z: 9 2.623 1.631 -0.016 0.307 1.000 0.500 CB 0.717 9 residues pruned to eliminate duplicates Z: 29 20.126 2.013 1.022 0.379 0.929 0.429 CB 1.145 29 residues pruned to eliminate duplicates Z: 35 21.077 2.034 0.439 0.455 0.941 0.647 CB 1.374 35 residues pruned to eliminate duplicates Z: 21 15.188 2.045 0.219 0.551 0.900 0.600 CA 1.440 21 residues pruned to eliminate duplicates Z: 34 31.403 2.116 0.811 0.625 0.909 0.394 CB 1.394 34 residues pruned to eliminate duplicates Z: 8 18.041 2.118 0.818 0.613 1.000 0.857 CB 1.591 8 residues pruned to eliminate duplicates Z: 10 8.916 1.687 0.432 0.908 1.000 0.889 CA 0.874 10 residues pruned to eliminate duplicates Z: 9 14.505 2.121 0.464 0.562 1.000 0.625 CB 1.555 8 residues pruned to eliminate duplicates Z: 7 2.655 1.330 0.296 0.413 0.833 0.667 CA 0.827 Z: 6 2.684 1.548 0.464 0.447 0.800 0.400 N 0.699 6 residues pruned to eliminate duplicates Z: 19 26.967 2.084 0.676 0.920 0.944 0.667 CA 1.357 19 residues pruned to eliminate duplicates Z: 11 26.799 2.166 0.895 0.908 1.000 0.700 CB 1.466 11 residues pruned to eliminate duplicates Z: 7 6.392 1.758 0.295 0.751 0.667 0.667 CB 1.374 Z: 12 17.665 2.024 0.522 0.894 1.000 0.727 CA 1.240 12 residues pruned to eliminate duplicates Z: 55 33.608 2.025 0.615 0.550 0.889 0.722 CA 1.498 55 residues pruned to eliminate duplicates Z: 18 14.842 1.903 0.562 0.535 0.941 0.765 CB 1.243 18 residues pruned to eliminate duplicates Z: 22 28.490 2.133 0.619 0.919 0.952 0.429 CB 1.331 22 residues pruned to eliminate duplicates Z: 30 35.424 2.086 0.521 0.780 0.966 0.793 CB 1.677 30 residues pruned to eliminate duplicates Z: 8 12.125 2.052 0.418 0.534 1.000 1.000 CB 1.523 8 residues pruned to eliminate duplicates Z: 14 3.898 1.675 0.061 0.326 0.692 0.308 CB 1.064 14 residues pruned to eliminate duplicates Z: 14 15.569 1.932 0.836 0.531 0.846 0.615 CA 1.395 14 residues pruned to eliminate duplicates Z: 21 24.611 2.163 0.296 0.899 1.000 0.900 CB 1.403 21 residues pruned to eliminate duplicates Z: 12 9.812 1.957 0.675 0.405 0.909 0.545 CB 1.097 12 residues pruned to eliminate duplicates Z: 18 34.133 2.192 0.901 0.855 0.941 0.529 CA 1.557 18 residues pruned to eliminate duplicates Z: 10 7.158 1.683 1.010 0.305 0.667 0.444 CB 1.315 6 residues pruned to eliminate duplicates Z: 7 9.157 2.109 0.355 0.711 1.000 0.833 CA 1.080 7 residues pruned to eliminate duplicates Z: 21 28.755 2.044 0.741 0.899 0.900 0.550 CB 1.435 21 residues pruned to eliminate duplicates Z: 11 9.227 1.883 0.305 0.550 1.000 0.600 CB 1.131 10 residues pruned to eliminate duplicates Z: 9 11.582 1.950 0.526 0.676 0.875 0.750 CB 1.337 9 residues pruned to eliminate duplicates Z: 21 37.048 2.085 0.925 0.918 1.000 0.850 CB 1.455 21 residues pruned to eliminate duplicates Z: 7 6.299 2.124 0.450 0.416 0.833 0.333 CB 1.094 7 residues pruned to eliminate duplicates Z: 25 21.225 2.198 0.896 0.358 0.833 0.542 CB 1.454 25 residues pruned to eliminate duplicates Z: 27 14.725 2.014 0.349 0.422 0.808 0.538 CB 1.427 27 residues pruned to eliminate duplicates Z: 6 3.800 1.284 0.434 0.583 1.000 0.600 N 0.852 6 residues pruned to eliminate duplicates Z: 7 4.445 1.657 0.426 0.726 1.000 1.000 CB 0.626 Z: 35 25.302 2.040 0.480 0.492 0.971 0.559 CB 1.492 35 residues pruned to eliminate duplicates Z: 9 5.219 1.944 0.355 0.295 0.625 0.250 CB 1.410 9 residues pruned to eliminate duplicates Z: 7 2.835 1.553 0.504 0.512 0.667 0.500 CB 0.735 Z: 12 8.230 1.834 0.435 0.535 0.818 0.727 CB 1.113 12 residues pruned to eliminate duplicates Z: 7 4.800 1.231 0.381 0.855 1.000 0.667 CA 0.851 Z: 14 6.629 1.787 0.162 0.396 0.846 0.615 CA 1.168 14 residues pruned to eliminate duplicates Z: 19 9.693 1.751 0.499 0.457 0.778 0.444 CB 1.170 19 residues pruned to eliminate duplicates Z: 26 11.161 1.964 0.406 0.294 0.760 0.440 CB 1.340 26 residues pruned to eliminate duplicates Z: 13 2.554 1.431 0.405 0.306 0.750 0.417 CB 0.607 13 residues pruned to eliminate duplicates Z: 9 5.994 1.653 0.248 0.289 1.000 0.500 N 1.302 9 residues pruned to eliminate duplicates Z: 41 39.997 2.182 0.724 0.651 0.950 0.625 CA 1.537 41 residues pruned to eliminate duplicates Z: 11 11.349 1.918 0.443 0.504 0.900 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 12 6.753 1.790 0.529 0.380 0.636 0.364 CA 1.329 12 residues pruned to eliminate duplicates Z: 6 8.936 1.860 0.481 0.740 1.000 1.000 CA 1.170 6 1.443 1.130 0.623 0.349 0.600 0.400 CB 0.691 ? Z: 6 2.680 1.345 0.377 0.359 0.800 0.400 CA 0.942 Z: 33 21.724 2.050 0.440 0.473 0.938 0.688 CB 1.426 33 residues pruned to eliminate duplicates Z: 18 16.855 1.986 0.525 0.439 0.882 0.529 CB 1.630 18 residues pruned to eliminate duplicates Z: 15 16.953 1.992 0.867 0.525 0.929 0.786 CA 1.280 17 residues pruned to eliminate duplicates Z: 29 8.867 1.786 0.123 0.377 0.929 0.571 CB 1.026 22 residues pruned to eliminate duplicates Z: 9 5.129 1.824 0.191 0.382 0.750 0.375 CB 1.261 9 residues pruned to eliminate duplicates Z: 17 13.110 1.871 0.684 0.578 0.812 0.625 CA 1.188 17 residues pruned to eliminate duplicates Z: 11 9.711 1.725 -0.007 0.834 0.900 0.700 CA 1.494 11 residues pruned to eliminate duplicates Z: 19 20.126 1.955 0.508 0.789 1.000 0.556 CA 1.248 19 residues pruned to eliminate duplicates Z: 16 13.706 1.946 0.574 0.505 0.933 0.467 CB 1.231 16 residues pruned to eliminate duplicates Z: 19 17.125 1.829 0.777 0.507 0.944 0.778 CB 1.306 19 residues pruned to eliminate duplicates Z: 8 11.163 2.032 0.474 0.492 1.000 0.571 CB 1.420 8 residues pruned to eliminate duplicates Z: 22 10.952 1.840 0.180 0.451 1.000 0.571 CB 1.157 22 residues pruned to eliminate duplicates Z: 16 12.078 1.874 0.463 0.530 0.867 0.733 CB 1.274 16 residues pruned to eliminate duplicates Z: 8 8.591 1.725 0.602 0.571 1.000 0.857 CA 1.097 7 residues pruned to eliminate duplicates Z: 19 10.172 1.853 0.749 0.444 0.833 0.722 CB 0.941 13 residues pruned to eliminate duplicates Z: 47 36.347 2.028 0.606 0.660 0.978 0.696 CA 1.449 47 residues pruned to eliminate duplicates Z: 22 8.633 1.911 0.261 0.331 0.762 0.429 CB 1.235 22 residues pruned to eliminate duplicates Z: 10 4.331 1.833 0.170 0.405 0.667 0.333 CB 1.116 10 residues pruned to eliminate duplicates Z: 13 6.358 1.624 0.214 0.641 0.750 0.583 CA 1.087 13 residues pruned to eliminate duplicates Z: 18 22.407 2.078 0.575 0.881 0.941 0.353 CB 1.278 18 residues pruned to eliminate duplicates Z: 12 9.773 1.931 0.518 0.388 0.909 0.727 CB 1.245 15 residues pruned to eliminate duplicates Z: 11 4.302 1.551 0.496 0.283 0.800 0.600 CB 0.936 11 residues pruned to eliminate duplicates Z: 22 18.090 1.992 0.450 0.471 0.952 0.714 CB 1.478 22 residues pruned to eliminate duplicates Z: 6 4.036 1.778 -0.363 0.769 1.000 0.800 C 1.255 Z: 16 11.274 1.712 0.640 0.479 0.800 0.400 CB 1.323 16 residues pruned to eliminate duplicates Z: 7 5.199 1.690 0.573 0.652 1.000 0.667 CB 0.693 Z: 28 11.530 1.757 0.310 0.440 0.889 0.593 CB 1.155 34 residues pruned to eliminate duplicates Z: 6 3.500 1.520 0.743 0.618 0.600 0.600 CB 0.881 Z: 32 22.734 2.041 0.607 0.423 0.903 0.516 CA 1.493 32 residues pruned to eliminate duplicates Z: 21 32.848 2.073 0.683 0.920 1.000 0.900 CA 1.483 21 residues pruned to eliminate duplicates Z: 12 7.037 1.741 0.551 0.335 0.818 0.273 CA 1.151 Z: 11 9.366 1.783 0.608 0.523 0.900 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 15 23.731 2.081 0.508 0.938 1.000 0.786 CA 1.406 15 residues pruned to eliminate duplicates Z: 8 4.597 1.678 0.302 0.480 0.857 0.571 CB 0.947 Z: 6 3.605 1.778 -0.016 0.526 0.800 0.800 CB 1.123 6 residues pruned to eliminate duplicates Z: 21 26.803 1.993 0.830 0.905 0.900 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 48 17.352 1.930 0.487 0.413 0.851 0.553 CB 1.135 48 residues pruned to eliminate duplicates Z: 36 26.758 1.963 0.521 0.635 0.943 0.686 CA 1.416 36 residues pruned to eliminate duplicates Z: 16 15.589 1.908 0.572 0.607 1.000 0.800 CB 1.213 16 residues pruned to eliminate duplicates Z: 25 15.255 1.976 0.380 0.473 0.875 0.625 CB 1.342 25 residues pruned to eliminate duplicates Z: 21 18.340 2.108 0.072 0.916 1.000 0.800 CB 1.282 21 residues pruned to eliminate duplicates Z: 10 8.594 1.754 0.271 0.625 1.000 0.667 CB 1.141 10 residues pruned to eliminate duplicates Z: 10 10.663 2.097 0.289 0.500 0.889 0.444 CB 1.479 10 residues pruned to eliminate duplicates Z: 18 32.992 2.133 0.838 0.932 1.000 0.824 CA 1.425 18 residues pruned to eliminate duplicates Z: 46 38.342 2.138 0.556 0.710 1.000 0.778 CA 1.420 46 residues pruned to eliminate duplicates Z: 9 7.818 1.680 0.705 0.537 0.875 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 7 6.523 1.590 0.205 0.657 0.833 0.500 CB 1.442 Z: 7 6.926 1.779 0.702 0.624 0.667 0.500 CB 1.245 Z: 22 12.523 1.939 0.728 0.327 0.857 0.619 CB 1.151 22 residues pruned to eliminate duplicates Z: 18 12.053 1.872 0.442 0.419 0.824 0.471 CB 1.431 18 residues pruned to eliminate duplicates Z: 6 3.931 1.677 0.408 0.557 0.600 0.200 CA 1.173 6 residues pruned to eliminate duplicates Z: 23 18.849 1.960 0.825 0.423 0.864 0.636 CA 1.410 23 residues pruned to eliminate duplicates Z: 6 5.597 1.923 0.530 0.305 0.800 0.400 CA 1.321 6 residues pruned to eliminate duplicates Z: 21 28.367 1.990 0.783 0.928 1.000 0.700 CA 1.252 21 residues pruned to eliminate duplicates Z: 18 10.443 1.874 0.453 0.452 0.824 0.647 CB 1.186 18 residues pruned to eliminate duplicates Z: 20 25.538 2.028 0.661 0.915 0.895 0.684 CA 1.374 20 residues pruned to eliminate duplicates Z: 8 6.371 1.676 0.448 0.652 0.857 0.571 CA 1.005 8 residues pruned to eliminate duplicates Z: 12 10.957 1.889 0.237 0.661 0.818 0.818 CB 1.488 12 residues pruned to eliminate duplicates Z: 9 5.066 1.758 0.172 0.483 0.625 0.375 N 1.415 9 residues pruned to eliminate duplicates 6 1.274 1.256 0.038 0.365 0.800 0.600 CB 0.632 ? Z: 6 5.771 1.476 0.648 0.580 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 7 4.021 1.789 0.056 0.569 1.000 0.667 CB 0.812 7 residues pruned to eliminate duplicates Z: 14 12.847 2.100 0.565 0.419 1.000 0.615 CB 1.180 14 residues pruned to eliminate duplicates Z: 10 7.898 1.935 0.492 0.403 0.667 0.444 CB 1.515 10 residues pruned to eliminate duplicates Z: 7 11.674 2.066 0.389 0.664 1.000 0.667 CB 1.427 7 residues pruned to eliminate duplicates Z: 20 10.929 2.061 0.231 0.309 0.842 0.316 CB 1.450 22 residues pruned to eliminate duplicates Z: 13 14.552 1.875 0.950 0.563 0.833 0.583 CB 1.297 13 residues pruned to eliminate duplicates Z: 10 8.036 1.421 1.163 0.418 0.778 0.556 N 1.220 Z: 24 11.023 1.940 0.628 0.415 0.826 0.696 CB 0.963 24 residues pruned to eliminate duplicates Z: 6 4.883 1.558 0.488 0.501 0.800 0.800 O 1.176 Z: 10 13.153 1.819 0.429 0.884 0.889 0.667 CA 1.372 19 residues pruned to eliminate duplicates Z: 16 5.149 1.501 0.234 0.319 0.867 0.600 CB 1.011 8 residues pruned to eliminate duplicates Z: 7 3.841 1.451 0.882 0.498 0.667 0.667 CA 0.864 7 residues pruned to eliminate duplicates Z: 21 44.790 2.221 0.918 0.916 1.000 0.700 CB 1.660 21 residues pruned to eliminate duplicates Z: 17 7.345 1.786 0.568 0.312 0.750 0.375 CA 1.077 17 residues pruned to eliminate duplicates Z: 33 21.135 2.035 0.657 0.389 0.844 0.531 CA 1.477 33 residues pruned to eliminate duplicates Z: 23 12.209 1.882 0.316 0.439 0.909 0.591 CB 1.232 23 residues pruned to eliminate duplicates Z: 13 10.997 1.808 0.545 0.547 0.917 0.833 CB 1.184 12 residues pruned to eliminate duplicates Z: 16 13.782 1.989 0.584 0.472 0.933 0.600 CA 1.245 15 residues pruned to eliminate duplicates Z: 9 7.154 1.884 0.246 0.634 0.875 0.750 CB 1.086 9 residues pruned to eliminate duplicates Z: 35 21.875 1.993 0.503 0.478 0.941 0.706 CB 1.361 35 residues pruned to eliminate duplicates Z: 6 5.372 1.688 0.298 0.681 1.000 1.000 CB 0.929 Z: 7 8.506 1.396 0.912 0.829 1.000 0.667 CA 0.980 7 residues pruned to eliminate duplicates Z: 8 5.909 1.691 0.573 0.665 0.714 0.714 CA 1.009 Z: 9 3.915 1.463 0.212 0.385 1.000 0.625 CB 0.882 Z: 40 14.706 1.928 0.450 0.300 0.769 0.436 CB 1.370 40 residues pruned to eliminate duplicates Z: 67 43.349 2.044 0.838 0.573 0.924 0.652 CB 1.432 67 residues pruned to eliminate duplicates Z: 21 40.497 2.220 0.778 0.906 1.000 0.800 CA 1.632 21 residues pruned to eliminate duplicates Z: 11 8.314 1.903 0.437 0.495 0.900 0.700 CA 1.073 11 residues pruned to eliminate duplicates Z: 7 2.857 1.703 -0.097 0.503 0.667 0.500 CB 1.134 Z: 9 7.637 1.833 0.828 0.416 1.000 0.500 CB 0.880 9 residues pruned to eliminate duplicates Z: 10 8.815 1.834 0.599 0.425 1.000 0.778 CB 1.083 10 residues pruned to eliminate duplicates Z: 8 7.238 1.665 0.456 0.456 0.857 0.429 CB 1.377 8 residues pruned to eliminate duplicates Z: 6 7.500 1.650 0.472 0.661 1.000 0.800 N 1.190 11 residues pruned to eliminate duplicates Z: 11 8.665 1.910 0.867 0.429 0.700 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 21 36.938 2.030 1.015 0.922 0.950 0.500 CB 1.495 21 residues pruned to eliminate duplicates Z: 32 21.337 1.934 0.674 0.478 0.871 0.581 CB 1.389 33 residues pruned to eliminate duplicates Z: 6 5.485 1.640 0.403 0.645 0.800 0.400 CB 1.164 6 residues pruned to eliminate duplicates Z: 7 4.749 1.742 0.358 0.542 0.667 0.667 CB 1.179 7 residues pruned to eliminate duplicates Z: 18 15.371 1.986 0.390 0.485 0.941 0.529 CB 1.457 18 residues pruned to eliminate duplicates Z: 11 8.781 1.665 0.651 0.523 0.900 0.600 CB 1.098 11 residues pruned to eliminate duplicates Z: 21 25.847 2.045 0.802 0.896 0.950 0.650 CB 1.183 20 residues pruned to eliminate duplicates Z: 7 9.024 1.770 0.803 0.629 0.833 0.667 CB 1.227 Z: 14 10.734 1.680 0.542 0.435 0.923 0.615 CB 1.330 13 residues pruned to eliminate duplicates Z: 12 10.470 1.868 0.707 0.515 0.818 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 36 13.341 1.995 0.416 0.332 0.771 0.457 CB 1.243 36 residues pruned to eliminate duplicates Z: 36 19.787 2.031 0.485 0.430 0.800 0.543 CB 1.490 27 residues pruned to eliminate duplicates Z: 21 32.679 2.168 0.658 0.927 1.000 0.900 CB 1.424 21 residues pruned to eliminate duplicates Z: 21 33.222 2.028 0.667 0.909 1.000 0.800 CB 1.560 21 residues pruned to eliminate duplicates Z: 10 4.670 1.566 0.237 0.405 0.778 0.333 C 1.142 7 residues pruned to eliminate duplicates Z: 41 17.486 1.875 0.649 0.365 0.875 0.450 CB 1.182 41 residues pruned to eliminate duplicates Z: 29 33.834 2.130 0.434 0.801 1.000 0.893 CA 1.609 34 residues pruned to eliminate duplicates Z: 6 3.431 1.589 0.007 0.446 0.800 0.400 CB 1.268 Z: 16 11.100 1.954 0.489 0.390 0.800 0.667 CB 1.384 16 residues pruned to eliminate duplicates Z: 12 10.000 1.676 0.981 0.491 1.000 0.818 CB 0.916 Z: 12 8.768 1.677 0.295 0.561 0.818 0.636 CB 1.403 12 residues pruned to eliminate duplicates Z: 7 9.103 1.670 0.466 0.844 1.000 0.667 CA 1.129 7 residues pruned to eliminate duplicates Z: 6 5.687 1.803 0.427 0.640 1.000 0.400 CA 0.867 6 residues pruned to eliminate duplicates Z: 15 9.353 1.838 0.622 0.431 0.714 0.571 CB 1.260 15 residues pruned to eliminate duplicates Z: 8 6.667 1.782 0.360 0.634 0.857 0.571 CA 1.070 8 residues pruned to eliminate duplicates Z: 7 5.869 1.915 0.196 0.620 0.833 0.500 CB 1.121 7 residues pruned to eliminate duplicates Z: 6 7.841 1.842 0.740 0.620 1.000 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 7 5.706 1.715 -0.135 0.718 1.000 0.833 CB 1.289 7 residues pruned to eliminate duplicates Z: 16 15.418 2.067 0.789 0.461 0.800 0.600 CA 1.400 16 residues pruned to eliminate duplicates Z: 12 8.399 1.747 0.432 0.482 1.000 0.818 CB 1.030 Z: 8 6.893 1.755 0.330 0.396 0.857 0.286 CA 1.453 8 residues pruned to eliminate duplicates Z: 19 9.428 1.856 0.355 0.440 0.778 0.500 CB 1.208 19 residues pruned to eliminate duplicates Z: 7 4.383 1.680 0.259 0.346 0.833 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 7 7.086 1.524 0.889 0.398 1.000 0.500 CB 1.119 Z: 19 14.566 1.976 0.329 0.528 0.944 0.500 CA 1.347 19 residues pruned to eliminate duplicates Z: 9 4.732 1.433 0.259 0.515 0.875 0.625 CA 1.044 6 residues pruned to eliminate duplicates Z: 6 5.759 1.390 0.796 0.855 1.000 0.400 CA 0.761 6 residues pruned to eliminate duplicates Z: 6 4.454 1.500 0.515 0.530 0.800 0.600 O 1.063 Z: 26 17.717 1.987 0.537 0.496 0.880 0.600 CB 1.324 26 residues pruned to eliminate duplicates Z: 15 7.548 1.865 0.575 0.329 0.643 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 6 9.179 2.001 0.374 0.585 1.000 0.600 CB 1.377 7 residues pruned to eliminate duplicates Z: 7 14.827 1.941 0.941 0.761 1.000 1.000 CB 1.273 8 residues pruned to eliminate duplicates Z: 19 14.884 1.949 0.653 0.455 0.889 0.667 CB 1.282 19 residues pruned to eliminate duplicates Z: 7 3.761 1.558 0.388 0.786 0.833 0.833 CA 0.663 7 residues pruned to eliminate duplicates Z: 21 10.913 2.009 0.344 0.329 0.800 0.500 CA 1.363 21 residues pruned to eliminate duplicates Z: 6 2.904 1.233 0.587 0.564 0.800 0.600 C 0.779 Z: 35 30.822 2.057 0.578 0.649 0.912 0.735 CB 1.554 35 residues pruned to eliminate duplicates Z: 14 12.283 1.869 0.707 0.417 0.923 0.462 CB 1.262 14 residues pruned to eliminate duplicates Z: 9 5.542 1.442 0.598 0.493 0.750 0.625 N 1.141 8 residues pruned to eliminate duplicates Z: 21 8.055 1.833 0.349 0.298 0.800 0.550 CB 1.141 21 residues pruned to eliminate duplicates Z: 34 15.791 1.955 0.420 0.398 0.788 0.606 CA 1.400 34 residues pruned to eliminate duplicates Z: 11 9.174 2.142 0.212 0.410 0.800 0.400 CB 1.534 11 residues pruned to eliminate duplicates Z: 35 17.401 1.888 0.583 0.377 0.882 0.529 CB 1.290 35 residues pruned to eliminate duplicates Z: 8 5.156 1.597 0.619 0.484 1.000 0.571 CB 0.766 Z: 18 15.784 1.861 0.638 0.562 0.824 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 6 2.621 1.328 0.150 0.786 1.000 0.800 CA 0.597 6 residues pruned to eliminate duplicates Z: 8 4.920 1.876 0.347 0.651 0.571 0.571 CB 1.119 8 residues pruned to eliminate duplicates Z: 34 20.825 2.069 0.466 0.338 0.939 0.606 CB 1.517 18 residues pruned to eliminate duplicates Z: 62 33.539 2.037 0.564 0.519 0.951 0.492 CA 1.391 62 residues pruned to eliminate duplicates Z: 6 4.186 1.466 0.338 0.574 0.800 0.400 O 1.110 Z: 18 7.167 1.808 0.414 0.165 0.765 0.294 CB 1.337 18 residues pruned to eliminate duplicates Z: 8 4.853 1.806 0.262 0.360 1.000 0.143 CA 0.936 8 residues pruned to eliminate duplicates Z: 8 5.878 1.367 0.930 0.368 1.000 0.571 CB 0.970 8 1.929 1.396 0.187 0.336 0.857 0.571 CA 0.614 ? Z: 14 13.167 2.023 0.564 0.368 0.846 0.385 CB 1.571 14 residues pruned to eliminate duplicates Z: 20 11.544 1.805 0.589 0.359 0.895 0.579 CB 1.202 20 residues pruned to eliminate duplicates Z: 15 18.841 2.093 0.496 0.521 1.000 0.929 CA 1.574 15 residues pruned to eliminate duplicates Z: 19 20.884 2.100 0.687 0.560 0.778 0.667 CA 1.684 19 residues pruned to eliminate duplicates Z: 10 16.960 2.155 0.481 0.854 1.000 0.778 CB 1.308 10 residues pruned to eliminate duplicates Z: 8 4.108 1.489 0.749 0.409 0.714 0.571 CA 0.918 Z: 16 8.657 1.755 0.545 0.379 0.800 0.600 CB 1.172 16 residues pruned to eliminate duplicates Z: 13 12.326 1.890 0.660 0.461 0.917 0.667 CA 1.287 13 residues pruned to eliminate duplicates 9 1.840 1.445 0.173 0.291 0.625 0.375 CB 0.776 ? Z: 10 9.719 1.831 0.590 0.806 0.778 0.333 CB 1.096 10 residues pruned to eliminate duplicates Z: 7 6.919 1.826 1.032 0.504 0.833 0.500 CB 0.909 Z: 23 15.398 1.988 0.378 0.441 0.864 0.545 CB 1.473 23 residues pruned to eliminate duplicates Z: 11 6.275 1.795 0.009 0.684 0.900 0.900 CA 1.028 11 residues pruned to eliminate duplicates Z: 6 3.053 1.420 0.813 0.414 0.600 0.400 CA 0.968 Z: 10 8.547 1.714 0.483 0.593 1.000 0.667 CB 1.025 10 residues pruned to eliminate duplicates Z: 11 6.833 1.756 0.251 0.571 0.900 0.600 CB 1.021 11 residues pruned to eliminate duplicates Z: 42 44.205 2.173 0.672 0.767 1.000 0.805 CA 1.499 42 residues pruned to eliminate duplicates Z: 38 31.886 2.076 0.597 0.598 0.946 0.676 CB 1.522 39 residues pruned to eliminate duplicates Z: 40 21.089 2.017 0.400 0.417 0.923 0.538 CB 1.414 40 residues pruned to eliminate duplicates Z: 7 12.009 1.817 0.449 0.825 1.000 1.000 CB 1.405 8 residues pruned to eliminate duplicates Z: 6 5.197 1.460 0.445 0.594 1.000 0.400 CA 1.007 Z: 7 3.648 1.570 0.310 0.236 0.833 0.333 C 1.180 Z: 18 11.024 1.756 0.366 0.495 0.941 0.647 CB 1.190 13 residues pruned to eliminate duplicates Z: 8 3.650 1.890 0.181 0.162 0.714 0.286 CB 1.307 8 residues pruned to eliminate duplicates Z: 7 2.917 1.490 -0.151 0.444 0.833 0.500 CB 1.197 6 1.531 1.291 0.029 0.319 1.000 0.200 N 0.629 ? Z: 14 9.729 1.753 0.584 0.399 0.923 0.462 CB 1.171 20 residues pruned to eliminate duplicates Z: 11 9.713 1.955 0.507 0.342 0.800 0.400 CA 1.548 11 residues pruned to eliminate duplicates Z: 7 2.820 1.230 0.390 0.489 0.833 0.667 N 0.818 Z: 19 10.358 1.838 0.420 0.428 0.722 0.611 CA 1.395 19 residues pruned to eliminate duplicates Z: 69 43.638 2.083 0.622 0.599 0.941 0.603 CB 1.515 69 residues pruned to eliminate duplicates Z: 20 11.571 1.681 0.548 0.463 0.947 0.579 CB 1.118 20 residues pruned to eliminate duplicates Z: 15 7.439 1.849 0.250 0.421 0.929 0.643 CB 1.006 6 residues pruned to eliminate duplicates Z: 7 2.973 1.486 0.334 0.355 0.833 0.667 CB 0.859 Z: 18 9.817 1.962 0.248 0.331 0.824 0.412 CA 1.421 18 residues pruned to eliminate duplicates Z: 47 28.268 1.967 0.618 0.505 0.935 0.696 CB 1.394 47 residues pruned to eliminate duplicates Z: 8 2.057 1.362 0.378 0.270 0.571 0.429 CB 0.942 Z: 6 2.317 1.543 0.206 0.388 0.800 0.600 CA 0.784 6 residues pruned to eliminate duplicates Z: 16 12.849 1.877 0.778 0.453 0.800 0.733 CB 1.304 23 residues pruned to eliminate duplicates 6 1.765 1.329 0.145 0.297 0.600 0.600 C 1.084 ? Z: 8 2.266 1.186 0.227 0.366 0.714 0.429 N 0.952 Z: 11 8.305 1.717 0.454 0.380 1.000 0.400 CA 1.195 11 residues pruned to eliminate duplicates Z: 21 45.883 2.249 0.927 0.907 1.000 0.700 CB 1.682 21 residues pruned to eliminate duplicates Z: 13 10.617 1.875 0.768 0.371 0.750 0.583 CB 1.416 13 residues pruned to eliminate duplicates Z: 6 2.601 1.173 0.585 0.556 0.800 0.400 N 0.740 Z: 60 44.023 2.160 0.727 0.590 0.932 0.610 CA 1.511 60 residues pruned to eliminate duplicates Z: 19 14.976 1.950 1.056 0.386 0.889 0.667 CB 1.118 19 residues pruned to eliminate duplicates Z: 7 3.423 1.669 0.341 0.516 0.667 0.500 CB 0.922 Z: 8 3.461 1.470 0.687 0.442 0.714 0.429 CA 0.784 7 1.364 1.611 -0.011 0.133 0.667 0.500 CB 0.828 ? Z: 6 3.722 1.472 0.181 0.701 1.000 0.800 CB 0.797 Z: 31 11.738 1.799 0.232 0.405 0.933 0.667 CB 1.145 31 residues pruned to eliminate duplicates Z: 10 3.099 1.454 0.278 0.262 0.667 0.111 N 1.094 Z: 8 7.159 1.754 0.554 0.483 0.857 0.714 CB 1.178 10 residues pruned to eliminate duplicates Z: 9 6.705 1.864 0.871 0.426 0.625 0.625 CB 1.174 7 residues pruned to eliminate duplicates Z: 14 5.219 1.743 0.414 0.220 0.769 0.462 CB 1.061 14 residues pruned to eliminate duplicates Z: 23 30.641 1.966 0.592 0.917 1.000 0.727 CB 1.473 23 residues pruned to eliminate duplicates Z: 6 7.651 1.681 0.835 0.743 0.800 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 7 5.578 1.823 0.433 0.467 0.833 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 8 3.594 1.581 0.250 0.735 0.857 0.429 CB 0.649 8 residues pruned to eliminate duplicates Z: 43 28.631 2.111 0.717 0.445 0.857 0.571 CA 1.505 38 residues pruned to eliminate duplicates Z: 17 11.632 1.861 0.410 0.527 0.875 0.750 CB 1.233 17 residues pruned to eliminate duplicates Z: 16 17.732 1.996 0.505 0.678 0.933 0.733 CB 1.386 16 residues pruned to eliminate duplicates Z: 20 25.012 2.063 0.541 0.913 0.895 0.579 CB 1.428 20 residues pruned to eliminate duplicates Z: 8 4.763 1.645 0.294 0.449 0.714 0.429 CA 1.248 8 residues pruned to eliminate duplicates Z: 12 10.349 2.032 0.565 0.489 0.909 0.545 CB 1.092 12 residues pruned to eliminate duplicates Z: 9 9.503 1.779 0.623 0.522 0.875 0.500 CA 1.301 9 residues pruned to eliminate duplicates Z: 8 2.828 1.220 0.767 0.468 0.714 0.286 CA 0.717 Z: 32 35.175 2.139 0.703 0.754 0.968 0.742 CA 1.429 32 residues pruned to eliminate duplicates Z: 8 2.451 1.355 0.493 0.295 0.571 0.429 C 1.008 Z: 21 8.168 1.411 0.758 0.342 0.900 0.500 CB 0.971 14 residues pruned to eliminate duplicates Z: 22 11.641 1.964 0.359 0.307 0.857 0.476 CA 1.377 22 residues pruned to eliminate duplicates Z: 15 9.570 1.733 0.750 0.370 0.857 0.500 CB 1.130 15 residues pruned to eliminate duplicates Z: 7 3.253 1.716 0.099 0.247 0.833 0.333 N 1.131 6 0.817 1.417 -0.109 0.581 1.000 1.000 CB 0.268 ? Z: 15 8.882 1.669 0.855 0.270 0.857 0.357 CB 1.162 9 residues pruned to eliminate duplicates Z: 14 5.251 1.292 0.765 0.423 0.923 0.231 CB 0.749 Z: 31 13.717 1.902 0.261 0.371 0.967 0.600 CB 1.241 34 residues pruned to eliminate duplicates 7 1.320 1.404 0.002 0.083 0.833 0.333 CB 0.788 ? Z: 8 3.941 1.358 0.425 0.471 0.857 0.429 CB 0.925 Z: 39 22.661 1.943 0.509 0.464 0.895 0.711 CA 1.454 39 residues pruned to eliminate duplicates 6 1.801 1.572 0.184 0.383 1.000 0.400 CB 0.490 ? Z: 15 7.730 1.767 0.288 0.470 1.000 0.500 CB 0.936 15 residues pruned to eliminate duplicates Z: 8 2.919 1.297 0.315 0.336 0.857 0.571 C 0.902 Z: 75 38.852 2.046 0.473 0.607 0.946 0.703 CA 1.432 75 residues pruned to eliminate duplicates Z: 7 9.623 1.774 0.879 0.641 0.833 0.667 CA 1.239 Z: 14 5.653 1.618 0.213 0.246 0.769 0.385 CB 1.392 14 residues pruned to eliminate duplicates Z: 7 5.804 1.991 0.332 0.394 0.667 0.333 CB 1.499 7 residues pruned to eliminate duplicates Z: 6 4.282 1.599 0.482 0.428 0.800 0.600 C 1.088 5 residues pruned to eliminate duplicates Z: 13 4.593 1.527 0.372 0.367 0.833 0.500 CB 0.876 Z: 12 12.040 1.807 0.541 0.840 0.909 0.545 CB 1.070 12 residues pruned to eliminate duplicates Z: 28 16.396 1.935 0.437 0.343 0.926 0.593 CB 1.454 28 residues pruned to eliminate duplicates Z: 20 24.201 1.956 0.845 0.846 0.947 0.737 CB 1.206 20 residues pruned to eliminate duplicates Z: 11 3.527 1.451 0.160 0.266 0.900 0.400 CB 0.961 Z: 15 10.210 1.790 0.420 0.502 0.929 0.714 CB 1.154 15 residues pruned to eliminate duplicates Z: 25 11.498 1.769 0.323 0.387 0.917 0.500 CB 1.233 19 residues pruned to eliminate duplicates Z: 23 14.249 1.982 0.305 0.421 0.909 0.682 CB 1.404 23 residues pruned to eliminate duplicates Z: 7 2.393 1.272 0.150 0.564 0.833 0.667 N 0.753 Z: 9 3.820 1.642 -0.195 0.512 0.875 0.625 C 1.155 Z: 40 17.104 1.908 0.602 0.362 0.846 0.462 CB 1.228 40 residues pruned to eliminate duplicates 7 1.992 1.254 0.168 0.246 0.833 0.667 CB 0.892 ? Z: 34 21.285 2.007 0.526 0.452 0.939 0.515 CB 1.352 34 residues pruned to eliminate duplicates Z: 9 3.371 1.610 0.187 0.306 0.750 0.500 CB 1.032 5 residues pruned to eliminate duplicates Z: 11 4.200 1.599 0.032 0.441 0.800 0.300 CB 1.069 Z: 10 3.160 1.363 0.114 0.533 0.667 0.667 N 1.008 10 residues pruned to eliminate duplicates Z: 8 6.059 1.603 0.290 0.632 0.857 0.714 CB 1.142 8 residues pruned to eliminate duplicates Z: 7 3.218 1.324 0.209 0.695 0.833 0.667 CA 0.824 Z: 6 2.858 1.522 0.136 0.368 0.800 0.600 CB 1.064 Z: 22 26.236 1.964 0.687 0.705 1.000 0.667 CA 1.435 22 residues pruned to eliminate duplicates Z: 23 16.093 1.987 0.396 0.586 0.818 0.682 CA 1.392 23 residues pruned to eliminate duplicates Z: 6 6.327 1.676 0.792 0.663 1.000 0.600 CB 0.810 Z: 30 20.891 1.994 0.373 0.542 0.966 0.690 CB 1.409 30 residues pruned to eliminate duplicates Z: 8 3.128 1.288 0.222 0.560 0.714 0.714 CB 0.992 Z: 7 2.757 1.472 0.493 0.398 0.667 0.500 CA 0.855 7 residues pruned to eliminate duplicates 8 1.182 1.427 0.100 0.474 0.714 0.571 N 0.409 ? 8 1.759 1.255 1.060 0.356 0.714 0.571 CB 0.421 ? Z: 29 11.757 1.814 0.265 0.347 0.857 0.536 CB 1.333 29 residues pruned to eliminate duplicates Z: 31 30.621 2.026 0.466 0.730 1.000 0.833 CA 1.530 31 residues pruned to eliminate duplicates Z: 8 4.076 1.241 0.574 0.424 0.857 0.429 O 0.996 8 residues pruned to eliminate duplicates Z: 19 19.708 2.044 0.304 0.908 0.944 0.833 CA 1.311 19 residues pruned to eliminate duplicates Z: 6 2.744 1.323 0.283 0.293 1.000 0.400 CB 0.911 Z: 7 2.541 1.356 0.351 0.247 0.833 0.667 CA 0.909 Z: 8 3.095 2.016 0.427 0.071 0.571 0.429 CB 1.245 8 residues pruned to eliminate duplicates Z: 9 5.741 1.917 0.037 0.389 0.875 0.625 CA 1.313 9 residues pruned to eliminate duplicates Z: 23 20.462 1.917 0.581 0.615 0.909 0.591 CA 1.420 23 residues pruned to eliminate duplicates 7 1.954 1.324 0.702 0.254 0.667 0.333 CB 0.705 ? Z: 9 5.916 1.507 0.615 0.406 0.875 0.625 CB 1.084 9 residues pruned to eliminate duplicates Z: 6 3.689 1.504 0.060 0.453 1.000 1.000 CB 1.086 6 1.075 1.154 -0.139 0.375 0.800 0.400 C 0.691 ? Z: 12 7.583 1.616 0.590 0.396 1.000 0.545 CB 0.993 6 residues pruned to eliminate duplicates Z: 20 21.887 2.168 0.170 0.900 1.000 0.842 CB 1.414 20 residues pruned to eliminate duplicates Z: 8 4.151 1.486 0.052 0.535 0.857 0.857 C 1.131 Z: 13 9.457 1.718 0.920 0.366 0.750 0.583 CB 1.274 13 residues pruned to eliminate duplicates Z: 11 3.986 1.542 0.240 0.270 0.700 0.500 N 1.223 Z: 17 12.287 1.911 0.253 0.558 1.000 0.688 CB 1.213 17 residues pruned to eliminate duplicates Z: 10 5.110 1.518 0.488 0.508 0.778 0.556 CB 0.962 10 residues pruned to eliminate duplicates Z: 9 3.731 1.603 0.275 0.393 0.875 0.500 CB 0.825 9 residues pruned to eliminate duplicates Z: 6 4.605 1.413 0.345 0.598 0.800 0.600 CA 1.233 Z: 34 29.108 1.982 0.653 0.619 0.939 0.576 CB 1.472 34 residues pruned to eliminate duplicates Z: 13 5.415 1.814 0.420 0.205 0.833 0.250 CB 1.033 13 residues pruned to eliminate duplicates Z: 15 9.425 1.816 0.164 0.535 0.929 0.714 CB 1.240 15 residues pruned to eliminate duplicates Z: 7 5.570 1.775 0.630 0.385 0.833 0.333 CB 1.066 7 residues pruned to eliminate duplicates Z: 11 7.812 1.855 0.343 0.530 0.800 0.600 CB 1.203 11 residues pruned to eliminate duplicates Z: 15 14.994 1.749 0.545 0.756 1.000 0.786 CB 1.181 15 residues pruned to eliminate duplicates Z: 11 11.897 2.053 0.627 0.484 0.900 0.500 CA 1.271 11 residues pruned to eliminate duplicates Z: 11 7.535 1.748 0.225 0.542 0.900 0.600 CB 1.187 11 residues pruned to eliminate duplicates Z: 8 12.961 1.999 0.424 0.705 1.000 0.857 CA 1.427 8 residues pruned to eliminate duplicates Z: 29 16.657 1.956 0.257 0.473 0.893 0.536 CA 1.473 29 residues pruned to eliminate duplicates Z: 16 6.386 1.692 0.308 0.175 0.933 0.533 CB 1.182 Z: 6 2.816 1.417 0.100 0.453 0.800 0.600 CB 1.060 Z: 15 8.773 1.792 0.462 0.332 0.857 0.357 CB 1.255 15 residues pruned to eliminate duplicates Z: 16 6.070 1.824 0.490 0.232 0.667 0.200 CB 1.181 Z: 7 5.288 1.244 0.350 0.870 1.000 1.000 CA 0.938 7 residues pruned to eliminate duplicates Z: 23 20.593 1.998 0.452 0.760 0.955 0.773 CB 1.259 23 residues pruned to eliminate duplicates Z: 7 2.870 1.400 0.397 0.279 0.833 0.667 CB 0.924 Z: 26 19.921 2.005 0.426 0.539 0.920 0.600 CB 1.458 26 residues pruned to eliminate duplicates Z: 17 7.103 1.725 0.333 0.389 0.938 0.438 CB 0.926 36 residues pruned to eliminate duplicates Z: 11 3.217 1.448 0.209 0.427 0.600 0.300 CA 1.045 Z: 7 4.217 1.703 0.046 0.643 0.833 0.667 CB 1.014 6 residues pruned to eliminate duplicates Z: 11 8.626 1.839 0.451 0.456 0.800 0.800 CA 1.337 11 residues pruned to eliminate duplicates Z: 18 6.964 1.624 0.105 0.407 0.941 0.706 CB 1.102 18 residues pruned to eliminate duplicates Z: 6 3.145 1.509 0.489 0.470 0.600 0.600 CA 1.076 6 residues pruned to eliminate duplicates Z: 7 2.438 1.600 -0.222 0.291 1.000 0.333 N 1.012 Z: 30 21.987 1.854 0.614 0.706 0.931 0.828 CB 1.215 30 residues pruned to eliminate duplicates Z: 72 35.514 2.023 0.632 0.528 0.887 0.549 CA 1.400 72 residues pruned to eliminate duplicates Z: 8 2.914 1.497 0.243 0.330 0.714 0.286 N 0.998 Z: 7 2.062 1.135 0.480 0.369 1.000 0.500 N 0.576 Z: 32 15.966 1.890 0.575 0.400 0.871 0.613 CB 1.228 32 residues pruned to eliminate duplicates Z: 33 15.939 1.895 0.372 0.376 0.812 0.500 CB 1.523 33 residues pruned to eliminate duplicates Z: 6 6.661 2.134 0.066 0.339 1.000 0.400 CA 1.561 6 residues pruned to eliminate duplicates Z: 9 2.769 1.362 0.490 0.479 0.625 0.375 N 0.789 Z: 39 32.243 2.116 0.680 0.620 0.921 0.632 CA 1.426 39 residues pruned to eliminate duplicates Z: 6 4.542 1.362 0.207 0.753 1.000 0.600 CA 0.986 Z: 6 5.273 1.429 0.449 0.744 1.000 0.600 CA 0.915 Z: 6 3.052 1.461 0.864 0.384 0.600 0.600 N 0.945 Z: 9 4.710 1.491 0.328 0.507 0.875 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 6 2.409 1.479 0.353 0.280 0.600 0.400 O 1.150 Z: 8 2.533 1.408 0.147 0.429 0.714 0.571 N 0.893 Z: 6 2.783 1.336 0.038 0.376 1.000 0.400 CB 1.025 Z: 8 4.522 1.897 0.213 0.283 1.000 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 18 10.490 1.836 0.621 0.471 0.882 0.471 CB 0.997 18 residues pruned to eliminate duplicates Z: 10 6.954 1.583 0.263 0.665 0.889 0.556 CB 1.120 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.756 1.707 0.767 0.270 1.000 0.200 N 1.302 8 residues pruned to eliminate duplicates Z: 9 10.116 1.725 0.956 0.391 0.875 0.500 CB 1.360 10 residues pruned to eliminate duplicates Z: 6 3.828 1.516 1.119 0.426 0.800 0.800 CA 0.719 6 residues pruned to eliminate duplicates Z: 9 10.181 1.729 0.835 0.376 1.000 0.500 CB 1.295 9 residues pruned to eliminate duplicates Z: 12 6.745 1.783 0.432 0.448 0.727 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 14 7.191 1.647 0.568 0.410 0.769 0.385 CB 1.103 14 residues pruned to eliminate duplicates Z: 13 4.898 1.708 0.202 0.378 0.750 0.417 CB 1.046 19 residues pruned to eliminate duplicates Z: 9 7.942 1.639 0.825 0.519 0.875 0.750 CB 1.052 Z: 7 5.631 1.636 0.400 0.497 0.833 0.167 CA 1.209 Z: 7 3.817 1.658 0.442 0.321 0.833 0.500 CB 0.952 6 residues pruned to eliminate duplicates Z: 8 2.890 1.619 0.230 0.378 0.714 0.286 CB 0.875 8 residues pruned to eliminate duplicates Z: 16 8.959 1.694 0.569 0.455 0.867 0.533 CB 1.052 18 residues pruned to eliminate duplicates 6 1.576 1.368 0.503 0.256 0.800 0.400 CA 0.567 ? Z: 6 6.794 1.763 1.154 0.283 0.800 0.400 CA 1.278 6 residues pruned to eliminate duplicates Z: 10 13.332 1.970 0.528 0.458 1.000 0.444 CA 1.540 10 residues pruned to eliminate duplicates Z: 6 3.304 1.564 0.653 0.614 0.800 0.800 CA 0.642 6 residues pruned to eliminate duplicates Z: 10 10.674 1.933 0.586 0.732 0.778 0.444 CB 1.211 10 residues pruned to eliminate duplicates Z: 14 6.653 1.790 0.592 0.553 0.615 0.308 CB 1.000 14 residues pruned to eliminate duplicates Z: 10 12.516 1.893 0.729 0.713 0.778 0.556 CA 1.350 10 residues pruned to eliminate duplicates Z: 10 10.636 1.784 0.542 0.670 0.778 0.333 CA 1.417 10 residues pruned to eliminate duplicates Z: 23 18.010 1.881 0.870 0.506 0.909 0.500 CA 1.194 27 residues pruned to eliminate duplicates Z: 12 11.125 1.738 0.396 0.709 0.909 0.455 CA 1.258 12 residues pruned to eliminate duplicates Z: 23 14.018 1.847 0.629 0.482 0.909 0.455 CA 1.113 23 residues pruned to eliminate duplicates Z: 12 13.485 1.876 0.504 0.694 0.909 0.727 CA 1.327 12 residues pruned to eliminate duplicates Z: 7 9.493 2.076 0.426 0.705 0.833 0.833 CB 1.305 7 residues pruned to eliminate duplicates Z: 6 4.873 1.726 0.537 0.477 1.000 0.800 CA 0.841 6 residues pruned to eliminate duplicates Z: 7 10.399 2.096 0.349 0.663 1.000 0.500 CB 1.291 7 residues pruned to eliminate duplicates Z: 6 15.032 2.196 0.475 0.792 1.000 0.800 CB 1.606 6 residues pruned to eliminate duplicates Z: 8 5.643 1.518 0.529 0.631 0.857 0.429 CA 0.948 8 residues pruned to eliminate duplicates Z: 7 9.447 1.757 0.729 0.729 1.000 0.833 CA 1.033 7 residues pruned to eliminate duplicates Z: 13 6.424 1.760 0.424 0.213 0.833 0.250 CB 1.246 13 residues pruned to eliminate duplicates Z: 11 7.952 1.790 0.534 0.392 0.900 0.400 CB 1.140 11 residues pruned to eliminate duplicates Z: 10 7.744 1.960 0.423 0.333 0.889 0.444 CB 1.250 11 residues pruned to eliminate duplicates Z: 9 2.856 1.684 0.232 0.169 0.750 0.250 CB 0.971 9 residues pruned to eliminate duplicates Z: 11 6.464 1.699 0.452 0.290 0.900 0.500 CB 1.165 11 residues pruned to eliminate duplicates Z: 6 3.765 1.554 0.668 0.297 0.800 0.600 N 1.019 Z: 6 4.858 1.510 0.477 0.571 0.800 0.600 CB 1.137 Z: 16 7.555 1.831 0.501 0.404 0.667 0.400 CB 1.178 21 residues pruned to eliminate duplicates Z: 15 8.574 1.966 0.482 0.291 0.643 0.357 CB 1.547 15 residues pruned to eliminate duplicates Z: 15 14.587 2.084 0.793 0.280 0.786 0.357 CB 1.703 15 residues pruned to eliminate duplicates Z: 7 2.303 1.529 -0.006 0.406 0.833 0.333 CA 0.819 7 residues pruned to eliminate duplicates Z: 14 8.672 2.048 0.534 0.240 0.769 0.385 CB 1.345 14 residues pruned to eliminate duplicates Z: 7 9.268 2.125 0.599 0.265 1.000 0.500 CB 1.456 8 residues pruned to eliminate duplicates Z: 6 3.613 1.683 0.885 0.294 0.800 0.400 CA 0.802 6 residues pruned to eliminate duplicates Z: 24 10.502 1.832 0.203 0.407 0.913 0.652 CB 1.201 24 residues pruned to eliminate duplicates Z: 21 13.498 1.787 0.409 0.483 0.950 0.500 CA 1.284 17 residues pruned to eliminate duplicates Z: 6 2.700 1.573 0.651 0.199 0.600 0.400 CA 1.109 6 residues pruned to eliminate duplicates Z: 18 13.023 1.930 0.365 0.456 0.882 0.647 CB 1.421 18 residues pruned to eliminate duplicates Z: 17 13.008 1.964 0.455 0.454 0.875 0.750 CA 1.362 17 residues pruned to eliminate duplicates Z: 17 12.569 1.942 0.398 0.443 0.938 0.750 CA 1.309 17 residues pruned to eliminate duplicates Z: 17 11.187 1.951 0.331 0.465 0.875 0.562 CA 1.275 17 residues pruned to eliminate duplicates Z: 10 7.984 1.947 0.103 0.509 0.889 0.556 CA 1.381 10 residues pruned to eliminate duplicates Z: 17 15.169 1.945 0.652 0.476 0.938 0.688 CA 1.290 21 residues pruned to eliminate duplicates Z: 6 5.236 1.610 0.690 0.416 0.800 0.600 CA 1.174 6 residues pruned to eliminate duplicates Z: 18 12.838 1.917 0.366 0.385 1.000 0.706 CA 1.344 18 residues pruned to eliminate duplicates Z: 34 22.600 2.065 0.442 0.473 0.970 0.545 CB 1.401 34 residues pruned to eliminate duplicates Z: 34 24.372 2.077 0.471 0.500 0.970 0.636 CB 1.432 34 residues pruned to eliminate duplicates Z: 35 22.981 2.030 0.417 0.483 0.971 0.618 CB 1.435 35 residues pruned to eliminate duplicates Z: 36 21.984 2.031 0.460 0.435 0.914 0.571 CB 1.466 36 residues pruned to eliminate duplicates Z: 35 23.837 2.045 0.484 0.466 0.971 0.706 CB 1.437 35 residues pruned to eliminate duplicates Z: 35 23.939 2.025 0.476 0.486 0.941 0.676 CB 1.480 35 residues pruned to eliminate duplicates Z: 24 18.151 2.100 0.386 0.432 0.957 0.565 CB 1.459 24 residues pruned to eliminate duplicates Z: 35 22.457 2.064 0.511 0.464 0.912 0.529 CB 1.405 35 residues pruned to eliminate duplicates Z: 34 22.495 2.061 0.525 0.471 0.909 0.636 CB 1.411 34 residues pruned to eliminate duplicates Z: 35 23.358 2.040 0.499 0.480 0.941 0.618 CB 1.420 35 residues pruned to eliminate duplicates Z: 36 20.543 2.010 0.423 0.480 0.886 0.571 CB 1.398 36 residues pruned to eliminate duplicates Z: 36 21.433 1.996 0.501 0.469 0.914 0.743 CB 1.365 36 residues pruned to eliminate duplicates Z: 35 22.506 2.057 0.440 0.485 0.912 0.588 CB 1.452 35 residues pruned to eliminate duplicates Z: 34 22.410 2.076 0.480 0.481 0.909 0.606 CB 1.424 34 residues pruned to eliminate duplicates Z: 34 22.941 2.072 0.521 0.490 0.879 0.606 CB 1.455 34 residues pruned to eliminate duplicates Z: 35 22.276 2.014 0.467 0.453 0.971 0.559 CB 1.397 35 residues pruned to eliminate duplicates Z: 34 24.877 2.095 0.482 0.492 0.939 0.758 CB 1.496 34 residues pruned to eliminate duplicates Z: 35 23.829 2.051 0.507 0.452 0.912 0.500 CB 1.523 35 residues pruned to eliminate duplicates Z: 34 24.379 2.072 0.543 0.482 0.970 0.667 CB 1.394 34 residues pruned to eliminate duplicates Z: 34 25.255 2.079 0.473 0.503 0.970 0.667 CB 1.476 34 residues pruned to eliminate duplicates Z: 35 22.936 2.041 0.494 0.465 0.912 0.588 CB 1.466 35 residues pruned to eliminate duplicates Z: 34 27.310 2.079 0.542 0.505 1.000 0.636 CB 1.476 34 residues pruned to eliminate duplicates Z: 6 7.954 1.751 0.727 0.482 0.800 0.600 C 1.498 6 residues pruned to eliminate duplicates Z: 35 23.554 2.033 0.528 0.494 0.912 0.647 CB 1.435 35 residues pruned to eliminate duplicates Z: 34 24.070 2.058 0.487 0.500 0.939 0.667 CB 1.457 35 residues pruned to eliminate duplicates Z: 6 4.237 1.530 0.869 0.413 0.800 0.800 C 0.907 6 residues pruned to eliminate duplicates Z: 36 22.354 2.004 0.443 0.468 0.914 0.657 CB 1.476 36 residues pruned to eliminate duplicates Z: 10 17.811 1.958 0.875 0.779 1.000 0.778 CB 1.265 10 residues pruned to eliminate duplicates Z: 38 15.651 1.964 0.646 0.330 0.784 0.432 CB 1.223 38 residues pruned to eliminate duplicates Z: 55 18.382 2.001 0.449 0.347 0.778 0.444 CB 1.310 55 residues pruned to eliminate duplicates Z: 31 11.670 1.902 0.476 0.345 0.833 0.367 CB 1.077 31 residues pruned to eliminate duplicates Z: 35 18.929 2.010 0.497 0.452 0.824 0.618 CB 1.377 49 residues pruned to eliminate duplicates Z: 6 5.350 1.636 0.861 0.374 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 21 12.927 2.069 0.375 0.334 0.800 0.550 CA 1.523 23 residues pruned to eliminate duplicates Z: 6 4.806 1.706 0.370 0.391 0.800 0.400 CB 1.290 6 residues pruned to eliminate duplicates Z: 38 20.699 2.013 0.515 0.386 0.919 0.595 CB 1.370 38 residues pruned to eliminate duplicates Z: 33 17.838 2.031 0.370 0.409 0.812 0.469 CA 1.534 33 residues pruned to eliminate duplicates Z: 6 6.543 1.487 0.731 0.358 1.000 0.600 CA 1.324 Z: 36 18.748 1.980 0.536 0.444 0.800 0.543 CB 1.380 36 residues pruned to eliminate duplicates Z: 8 4.522 1.114 0.505 0.714 1.000 0.857 CA 0.840 8 residues pruned to eliminate duplicates Z: 68 23.883 1.968 0.512 0.413 0.836 0.433 CB 1.285 44 residues pruned to eliminate duplicates Z: 6 5.695 1.536 0.760 0.327 1.000 0.400 N 1.140 6 residues pruned to eliminate duplicates Z: 11 9.642 1.883 0.386 0.476 0.900 0.600 CA 1.329 11 residues pruned to eliminate duplicates Z: 40 18.751 1.976 0.431 0.425 0.897 0.590 CB 1.278 40 residues pruned to eliminate duplicates Z: 58 23.413 2.000 0.525 0.460 0.825 0.614 CB 1.284 58 residues pruned to eliminate duplicates Z: 24 8.493 1.690 0.527 0.263 0.826 0.522 CB 1.089 24 residues pruned to eliminate duplicates Z: 12 5.757 1.907 0.325 0.376 0.727 0.455 CB 1.079 12 residues pruned to eliminate duplicates Z: 21 13.720 1.980 0.694 0.475 0.850 0.700 CB 1.103 21 residues pruned to eliminate duplicates Z: 15 9.087 1.877 0.541 0.393 0.929 0.429 CB 1.012 15 residues pruned to eliminate duplicates Z: 41 18.044 1.940 0.471 0.373 0.875 0.525 CB 1.309 41 residues pruned to eliminate duplicates Z: 17 7.594 1.791 0.325 0.315 0.938 0.375 CB 1.048 17 residues pruned to eliminate duplicates Z: 28 11.776 1.949 0.477 0.360 0.852 0.519 CB 1.074 28 residues pruned to eliminate duplicates Z: 15 6.767 1.850 0.403 0.371 0.857 0.571 CB 0.934 15 residues pruned to eliminate duplicates Z: 26 14.816 1.968 0.419 0.458 0.920 0.560 CB 1.204 26 residues pruned to eliminate duplicates Z: 37 15.078 1.942 0.413 0.398 0.889 0.556 CB 1.147 37 residues pruned to eliminate duplicates Z: 63 21.821 1.962 0.415 0.442 0.871 0.468 CB 1.218 63 residues pruned to eliminate duplicates Z: 15 8.399 1.883 0.466 0.397 0.929 0.429 CB 0.976 15 residues pruned to eliminate duplicates Z: 14 7.864 1.852 0.289 0.372 0.923 0.615 CB 1.135 14 residues pruned to eliminate duplicates Z: 22 10.849 1.887 0.451 0.490 0.810 0.619 CB 1.079 22 residues pruned to eliminate duplicates Z: 25 14.043 1.965 0.515 0.440 0.875 0.667 CB 1.171 25 residues pruned to eliminate duplicates Z: 34 16.778 1.962 0.615 0.405 0.848 0.545 CB 1.200 34 residues pruned to eliminate duplicates Z: 17 11.304 1.957 0.728 0.457 0.812 0.625 CB 1.075 17 residues pruned to eliminate duplicates Z: 20 15.333 2.003 0.718 0.425 0.947 0.632 CB 1.166 20 residues pruned to eliminate duplicates Z: 14 12.057 1.858 0.737 0.582 0.923 0.692 CB 1.037 14 residues pruned to eliminate duplicates Z: 32 16.859 2.007 0.624 0.388 0.903 0.548 CB 1.158 32 residues pruned to eliminate duplicates Z: 77 23.391 1.960 0.497 0.385 0.789 0.461 CB 1.309 77 residues pruned to eliminate duplicates Z: 31 17.219 1.982 0.534 0.392 0.867 0.433 CA 1.336 31 residues pruned to eliminate duplicates Z: 36 17.072 2.015 0.559 0.349 0.886 0.514 CB 1.222 36 residues pruned to eliminate duplicates Z: 8 6.119 2.064 0.262 0.196 1.000 0.286 CB 1.277 8 residues pruned to eliminate duplicates Z: 23 10.662 1.971 0.291 0.294 0.864 0.318 CB 1.303 23 residues pruned to eliminate duplicates Z: 32 13.909 1.969 0.403 0.375 0.839 0.387 CB 1.231 32 residues pruned to eliminate duplicates Z: 47 18.169 1.974 0.498 0.319 0.826 0.413 CB 1.339 47 residues pruned to eliminate duplicates Z: 21 12.109 1.943 0.439 0.344 0.850 0.500 CA 1.350 21 residues pruned to eliminate duplicates Z: 30 10.186 1.866 0.421 0.301 0.759 0.379 CB 1.174 30 residues pruned to eliminate duplicates Z: 35 15.428 1.891 0.459 0.404 0.882 0.529 CB 1.203 34 residues pruned to eliminate duplicates Z: 6 3.112 1.568 0.374 0.285 1.000 0.800 CA 0.823 6 residues pruned to eliminate duplicates Z: 36 15.450 1.864 0.673 0.318 0.829 0.400 CB 1.234 36 residues pruned to eliminate duplicates Z: 17 11.088 1.919 0.706 0.398 0.938 0.500 CB 1.006 17 residues pruned to eliminate duplicates Z: 15 12.930 1.906 0.643 0.365 0.929 0.643 CA 1.374 15 residues pruned to eliminate duplicates Z: 48 21.489 1.917 0.652 0.370 0.915 0.617 CB 1.244 48 residues pruned to eliminate duplicates Z: 28 16.357 1.955 0.502 0.387 0.963 0.519 CB 1.255 28 residues pruned to eliminate duplicates Z: 48 19.337 1.921 0.580 0.371 0.830 0.468 CB 1.286 48 residues pruned to eliminate duplicates Z: 38 19.179 1.980 0.493 0.375 0.892 0.486 CB 1.366 38 residues pruned to eliminate duplicates Z: 56 19.295 1.989 0.513 0.382 0.818 0.545 CB 1.198 56 residues pruned to eliminate duplicates Z: 52 24.437 1.971 0.745 0.395 0.863 0.529 CB 1.289 50 residues pruned to eliminate duplicates Z: 7 11.091 1.784 1.017 0.429 1.000 0.500 CB 1.354 7 residues pruned to eliminate duplicates Z: 14 10.881 1.930 0.538 0.397 0.846 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 16 8.632 1.986 0.477 0.395 0.800 0.600 CB 1.060 16 residues pruned to eliminate duplicates Z: 12 7.947 2.025 0.452 0.445 0.727 0.545 CB 1.187 12 residues pruned to eliminate duplicates Z: 16 9.608 1.886 0.363 0.318 0.800 0.467 CA 1.474 16 residues pruned to eliminate duplicates Z: 16 8.811 1.920 0.470 0.314 0.733 0.467 CB 1.351 16 residues pruned to eliminate duplicates Z: 23 14.786 1.989 0.635 0.339 0.818 0.409 CB 1.412 23 residues pruned to eliminate duplicates Z: 28 17.261 1.980 0.496 0.372 0.889 0.519 CB 1.447 28 residues pruned to eliminate duplicates Z: 29 18.569 1.905 0.616 0.334 0.893 0.321 CB 1.531 29 residues pruned to eliminate duplicates Z: 24 14.944 2.003 0.565 0.329 0.783 0.478 CB 1.532 24 residues pruned to eliminate duplicates Z: 10 10.570 1.979 0.446 0.276 1.000 0.444 CB 1.587 10 residues pruned to eliminate duplicates Z: 8 11.814 2.153 0.623 0.345 1.000 0.571 CA 1.513 8 residues pruned to eliminate duplicates Z: 11 6.311 1.776 0.421 0.275 0.800 0.400 CB 1.276 11 residues pruned to eliminate duplicates Z: 47 19.625 1.975 0.483 0.367 0.848 0.478 CB 1.344 47 residues pruned to eliminate duplicates Z: 11 11.033 1.793 0.831 0.305 0.900 0.300 CA 1.466 11 residues pruned to eliminate duplicates Z: 11 8.392 1.799 0.682 0.331 0.900 0.400 CA 1.173 11 residues pruned to eliminate duplicates Z: 35 30.696 2.065 0.461 0.678 0.971 0.824 CA 1.526 36 residues pruned to eliminate duplicates Z: 6 2.844 1.352 -0.063 0.455 1.000 0.800 CB 1.051 6 residues pruned to eliminate duplicates Z: 36 34.396 2.118 0.521 0.643 0.971 0.714 CB 1.626 36 residues pruned to eliminate duplicates Z: 23 25.785 2.104 0.443 0.699 0.955 0.818 CB 1.582 23 residues pruned to eliminate duplicates Z: 40 33.197 2.097 0.452 0.646 0.974 0.718 CB 1.563 40 residues pruned to eliminate duplicates Z: 23 28.059 2.157 0.461 0.825 0.955 0.818 CB 1.502 23 residues pruned to eliminate duplicates Z: 40 33.205 2.124 0.446 0.627 0.949 0.667 CB 1.619 40 residues pruned to eliminate duplicates Z: 41 32.701 2.036 0.595 0.637 0.925 0.625 CB 1.513 41 residues pruned to eliminate duplicates Z: 34 27.553 2.087 0.338 0.678 0.939 0.606 CB 1.552 34 residues pruned to eliminate duplicates Z: 35 27.336 2.087 0.500 0.578 0.882 0.618 CB 1.574 35 residues pruned to eliminate duplicates Z: 39 33.635 2.044 0.604 0.639 0.947 0.579 CB 1.543 39 residues pruned to eliminate duplicates Z: 40 35.182 2.064 0.589 0.643 0.949 0.667 CB 1.584 40 residues pruned to eliminate duplicates Z: 64 25.763 1.896 0.523 0.422 0.873 0.476 CB 1.397 64 residues pruned to eliminate duplicates Z: 22 42.805 2.234 0.943 0.898 1.000 0.810 CB 1.539 22 residues pruned to eliminate duplicates Z: 22 30.795 2.155 0.658 0.925 0.952 0.762 CB 1.386 22 residues pruned to eliminate duplicates Z: 31 40.745 2.113 0.701 0.801 0.967 0.767 CB 1.646 31 residues pruned to eliminate duplicates Z: 22 26.043 2.149 0.516 0.914 0.905 0.571 CB 1.363 22 residues pruned to eliminate duplicates Z: 56 35.266 2.047 0.550 0.557 0.891 0.600 CB 1.592 56 residues pruned to eliminate duplicates Z: 35 36.155 2.115 0.518 0.668 1.000 0.676 CB 1.653 35 residues pruned to eliminate duplicates Z: 35 35.707 2.049 0.860 0.658 0.912 0.588 CB 1.522 35 residues pruned to eliminate duplicates Z: 31 41.757 2.103 0.775 0.787 0.967 0.567 CB 1.641 31 residues pruned to eliminate duplicates Z: 17 26.626 2.134 0.698 0.913 0.875 0.500 CB 1.485 17 residues pruned to eliminate duplicates Z: 37 34.983 2.077 0.666 0.641 0.944 0.639 CB 1.563 37 residues pruned to eliminate duplicates Z: 22 36.304 2.135 0.848 0.935 1.000 0.762 CB 1.399 22 residues pruned to eliminate duplicates Z: 33 38.140 2.119 0.704 0.703 0.969 0.594 CB 1.601 33 residues pruned to eliminate duplicates Z: 22 38.285 2.196 0.762 0.941 1.000 0.667 CB 1.499 22 residues pruned to eliminate duplicates Z: 23 12.611 1.747 0.548 0.427 0.909 0.591 CB 1.180 25 residues pruned to eliminate duplicates Z: 7 12.418 1.659 0.750 0.785 1.000 0.833 CB 1.358 7 residues pruned to eliminate duplicates Z: 21 15.728 1.838 0.657 0.529 0.900 0.550 CB 1.247 21 residues pruned to eliminate duplicates Z: 15 9.740 1.730 0.403 0.525 0.929 0.571 CA 1.127 15 residues pruned to eliminate duplicates Z: 22 10.659 1.767 0.632 0.337 0.952 0.524 CB 1.012 22 residues pruned to eliminate duplicates Z: 20 10.958 1.846 0.431 0.431 0.895 0.737 CB 1.142 20 residues pruned to eliminate duplicates Z: 18 12.575 1.869 0.499 0.464 0.941 0.706 CB 1.200 18 residues pruned to eliminate duplicates Z: 23 10.731 1.771 0.467 0.383 0.818 0.636 CB 1.218 23 residues pruned to eliminate duplicates Z: 22 9.096 1.825 0.378 0.363 0.857 0.571 CB 1.067 22 residues pruned to eliminate duplicates Z: 20 14.135 1.877 0.611 0.436 0.842 0.632 CB 1.360 20 residues pruned to eliminate duplicates Z: 34 11.647 1.661 0.372 0.436 0.879 0.576 CB 1.082 34 residues pruned to eliminate duplicates Z: 23 14.901 1.830 0.606 0.410 0.909 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 21 12.946 1.831 0.560 0.392 0.850 0.450 CA 1.338 21 residues pruned to eliminate duplicates Z: 18 15.289 1.939 0.557 0.539 0.882 0.471 CA 1.340 18 residues pruned to eliminate duplicates Z: 19 9.972 1.765 0.536 0.409 0.833 0.556 CB 1.144 19 residues pruned to eliminate duplicates Z: 16 14.290 1.929 0.595 0.520 0.933 0.667 CB 1.260 16 residues pruned to eliminate duplicates Z: 12 4.778 1.649 0.815 0.123 0.818 0.455 CB 0.944 8 residues pruned to eliminate duplicates Z: 6 3.414 1.410 0.999 0.258 0.800 0.200 CA 0.894 Z: 6 2.133 1.469 0.024 0.463 0.600 0.600 C 1.098 6 residues pruned to eliminate duplicates Z: 27 14.444 1.985 0.447 0.432 0.846 0.538 CB 1.250 27 residues pruned to eliminate duplicates Z: 81 41.791 2.070 0.508 0.590 0.963 0.663 CA 1.427 81 residues pruned to eliminate duplicates Z: 21 16.259 2.069 0.417 0.452 0.850 0.550 CB 1.533 21 residues pruned to eliminate duplicates Z: 47 26.958 1.948 0.492 0.636 0.957 0.652 CA 1.259 47 residues pruned to eliminate duplicates Z: 39 26.968 1.979 0.476 0.616 0.974 0.658 CA 1.378 39 residues pruned to eliminate duplicates Z: 37 26.177 2.038 0.476 0.632 0.944 0.722 CA 1.356 37 residues pruned to eliminate duplicates Z: 21 18.210 2.049 0.558 0.446 0.900 0.600 CA 1.498 21 residues pruned to eliminate duplicates Z: 45 24.713 1.966 0.453 0.487 0.932 0.659 CA 1.418 45 residues pruned to eliminate duplicates Z: 15 15.899 2.020 0.547 0.497 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 30 25.285 2.040 0.353 0.716 1.000 0.759 CA 1.399 30 residues pruned to eliminate duplicates Z: 14 10.757 2.029 0.284 0.404 0.923 0.846 CA 1.372 14 residues pruned to eliminate duplicates Z: 73 39.300 2.061 0.539 0.590 0.944 0.667 CA 1.419 72 residues pruned to eliminate duplicates Z: 21 21.857 2.060 0.284 0.896 1.000 0.900 CA 1.323 21 residues pruned to eliminate duplicates Z: 56 30.431 2.036 0.481 0.526 0.982 0.618 CA 1.351 56 residues pruned to eliminate duplicates Z: 43 21.839 1.937 0.352 0.550 0.905 0.690 CA 1.354 43 residues pruned to eliminate duplicates Z: 41 27.165 1.957 0.496 0.596 0.925 0.600 CA 1.447 41 residues pruned to eliminate duplicates Z: 28 29.682 2.060 0.637 0.798 1.000 0.889 CA 1.304 28 residues pruned to eliminate duplicates Z: 79 39.492 2.040 0.564 0.570 0.923 0.654 CA 1.420 79 residues pruned to eliminate duplicates Z: 48 39.691 2.050 0.722 0.707 0.957 0.681 CA 1.419 48 residues pruned to eliminate duplicates Z: 74 44.921 2.066 0.633 0.624 0.973 0.671 CA 1.426 83 residues pruned to eliminate duplicates Z: 21 28.306 2.052 0.618 0.927 1.000 0.900 CA 1.336 21 residues pruned to eliminate duplicates Z: 48 28.972 1.960 0.616 0.596 0.915 0.660 CA 1.331 48 residues pruned to eliminate duplicates Z: 75 43.288 2.083 0.624 0.588 0.946 0.649 CA 1.446 75 residues pruned to eliminate duplicates Z: 32 26.536 1.998 0.482 0.675 0.968 0.710 CA 1.415 32 residues pruned to eliminate duplicates Z: 82 44.815 2.080 0.642 0.568 0.926 0.568 CA 1.474 82 residues pruned to eliminate duplicates Z: 42 29.047 1.979 0.600 0.591 0.902 0.585 CB 1.455 42 residues pruned to eliminate duplicates Z: 67 41.235 2.094 0.655 0.595 0.909 0.591 CA 1.471 67 residues pruned to eliminate duplicates Z: 55 36.038 2.039 0.623 0.620 0.907 0.556 CA 1.457 55 residues pruned to eliminate duplicates Z: 74 42.692 2.066 0.617 0.598 0.945 0.644 CA 1.441 74 residues pruned to eliminate duplicates Z: 83 46.902 2.039 0.634 0.576 1.000 0.573 CA 1.446 82 residues pruned to eliminate duplicates Z: 19 32.303 2.050 0.826 0.899 1.000 0.611 CA 1.454 19 residues pruned to eliminate duplicates Z: 52 35.721 2.068 0.657 0.616 0.980 0.549 CA 1.334 52 residues pruned to eliminate duplicates Z: 89 43.350 2.063 0.569 0.555 0.909 0.557 CA 1.487 89 residues pruned to eliminate duplicates Z: 74 43.519 2.080 0.644 0.595 0.932 0.575 CA 1.461 74 residues pruned to eliminate duplicates Z: 75 44.492 2.088 0.642 0.603 0.932 0.689 CA 1.466 75 residues pruned to eliminate duplicates Z: 49 38.676 2.076 0.699 0.691 0.958 0.812 CA 1.387 49 residues pruned to eliminate duplicates Z: 74 45.623 2.087 0.706 0.612 0.945 0.671 CA 1.427 74 residues pruned to eliminate duplicates Z: 27 22.315 2.068 0.589 0.525 0.962 0.577 CA 1.351 27 residues pruned to eliminate duplicates Z: 74 44.154 2.080 0.605 0.584 0.973 0.575 CA 1.468 74 residues pruned to eliminate duplicates Z: 73 46.248 2.085 0.670 0.574 0.972 0.625 CA 1.500 73 residues pruned to eliminate duplicates Z: 72 44.565 2.091 0.708 0.600 0.930 0.634 CA 1.448 72 residues pruned to eliminate duplicates Z: 72 42.598 2.099 0.582 0.590 0.958 0.662 CA 1.458 72 residues pruned to eliminate duplicates Z: 73 45.184 2.109 0.682 0.585 0.944 0.639 CA 1.465 73 residues pruned to eliminate duplicates Z: 53 38.965 2.067 0.632 0.641 0.981 0.692 CA 1.431 53 residues pruned to eliminate duplicates Z: 76 42.604 2.079 0.606 0.586 0.947 0.640 CA 1.433 76 residues pruned to eliminate duplicates Z: 74 42.078 2.074 0.596 0.577 0.945 0.562 CA 1.462 74 residues pruned to eliminate duplicates Z: 75 41.891 2.078 0.634 0.553 0.946 0.595 CA 1.440 75 residues pruned to eliminate duplicates Z: 88 46.853 2.057 0.672 0.558 0.931 0.563 CA 1.483 88 residues pruned to eliminate duplicates Z: 43 33.453 2.124 0.796 0.537 0.881 0.571 CA 1.482 43 residues pruned to eliminate duplicates Z: 33 22.715 2.091 0.670 0.390 0.875 0.469 CA 1.476 33 residues pruned to eliminate duplicates Z: 46 30.381 2.101 0.685 0.453 0.889 0.467 CA 1.510 47 residues pruned to eliminate duplicates Z: 7 6.057 1.761 0.702 0.498 0.833 0.833 CA 0.992 7 residues pruned to eliminate duplicates Z: 77 37.025 2.067 0.572 0.538 0.868 0.513 CA 1.450 77 residues pruned to eliminate duplicates Z: 71 36.312 2.045 0.564 0.510 0.914 0.543 CA 1.470 71 residues pruned to eliminate duplicates Z: 41 26.184 2.050 0.617 0.438 0.875 0.500 CA 1.521 41 residues pruned to eliminate duplicates Z: 31 24.331 2.135 0.588 0.432 0.933 0.600 CA 1.506 31 residues pruned to eliminate duplicates Z: 26 19.524 2.016 0.508 0.440 0.880 0.520 CA 1.554 26 residues pruned to eliminate duplicates Z: 24 18.465 2.118 0.433 0.455 0.826 0.522 CA 1.608 24 residues pruned to eliminate duplicates Z: 24 21.589 2.089 0.620 0.467 0.913 0.478 CA 1.507 24 residues pruned to eliminate duplicates Z: 33 17.540 1.988 0.547 0.385 0.812 0.531 CB 1.403 33 residues pruned to eliminate duplicates Z: 32 23.531 2.120 0.569 0.428 0.903 0.516 CA 1.515 32 residues pruned to eliminate duplicates Z: 22 15.287 2.091 0.370 0.454 0.762 0.524 CA 1.602 22 residues pruned to eliminate duplicates Z: 22 16.575 2.090 0.624 0.451 0.714 0.524 CB 1.568 22 residues pruned to eliminate duplicates Z: 22 20.358 2.133 0.634 0.464 0.857 0.619 CA 1.542 22 residues pruned to eliminate duplicates Z: 19 13.962 1.922 0.590 0.481 0.833 0.556 CA 1.317 19 residues pruned to eliminate duplicates Z: 34 21.246 1.999 0.656 0.415 0.848 0.576 CA 1.439 34 residues pruned to eliminate duplicates Z: 24 19.985 2.084 0.538 0.485 0.870 0.652 CA 1.519 24 residues pruned to eliminate duplicates Z: 10 15.345 1.944 0.791 0.857 0.889 0.778 CA 1.218 12 residues pruned to eliminate duplicates Z: 11 17.712 1.804 1.000 0.800 1.000 0.600 CA 1.194 11 residues pruned to eliminate duplicates Z: 12 12.261 1.896 0.702 0.544 1.000 0.545 CA 1.097 9 residues pruned to eliminate duplicates Z: 10 11.998 1.772 0.736 0.808 0.889 0.778 CA 1.118 10 residues pruned to eliminate duplicates Z: 25 21.034 2.008 0.670 0.470 0.917 0.542 CA 1.440 25 residues pruned to eliminate duplicates 6 1.631 1.500 0.845 0.100 0.600 0.200 CB 0.732 ? Z: 16 7.918 1.914 0.157 0.370 0.933 0.533 CB 1.138 16 residues pruned to eliminate duplicates Z: 19 13.598 1.952 0.389 0.518 0.944 0.611 CB 1.230 19 residues pruned to eliminate duplicates Z: 31 10.262 1.772 0.195 0.366 0.900 0.667 CB 1.136 31 residues pruned to eliminate duplicates Z: 29 12.344 1.855 0.251 0.422 0.929 0.750 CB 1.173 29 residues pruned to eliminate duplicates Z: 27 13.119 1.871 0.283 0.421 0.962 0.615 CB 1.210 22 residues pruned to eliminate duplicates Z: 6 4.378 1.621 0.077 0.459 1.000 1.000 CB 1.170 6 residues pruned to eliminate duplicates Z: 14 8.122 1.889 0.449 0.431 0.846 0.615 CB 1.044 14 residues pruned to eliminate duplicates Z: 28 11.361 1.867 0.238 0.338 1.000 0.556 CB 1.128 7 residues pruned to eliminate duplicates Z: 6 4.252 1.732 -0.021 0.470 1.000 0.800 CA 1.156 6 residues pruned to eliminate duplicates Z: 21 10.027 1.830 0.217 0.402 0.950 0.700 CB 1.175 21 residues pruned to eliminate duplicates Z: 12 7.776 1.918 0.361 0.286 1.000 0.818 CB 1.143 12 residues pruned to eliminate duplicates Z: 15 7.591 1.840 0.465 0.340 0.929 0.500 CB 0.965 15 residues pruned to eliminate duplicates Z: 20 6.662 1.677 0.549 0.258 0.737 0.421 CB 1.053 19 residues pruned to eliminate duplicates Z: 7 4.239 1.425 0.556 0.527 0.833 0.500 CB 0.912 7 residues pruned to eliminate duplicates Z: 15 7.638 1.906 0.275 0.399 0.786 0.643 CA 1.190 15 residues pruned to eliminate duplicates Z: 10 3.341 1.543 0.080 0.297 0.778 0.333 CA 1.078 10 residues pruned to eliminate duplicates Z: 16 10.421 1.895 0.351 0.382 0.933 0.533 CB 1.277 16 residues pruned to eliminate duplicates Z: 17 9.177 1.902 0.276 0.331 0.938 0.438 CB 1.213 24 residues pruned to eliminate duplicates Z: 7 8.082 1.633 1.103 0.428 1.000 0.667 CA 1.035 7 residues pruned to eliminate duplicates Z: 15 8.998 1.811 0.521 0.420 0.857 0.643 CB 1.106 13 residues pruned to eliminate duplicates Z: 6 9.552 1.775 0.938 0.400 1.000 0.400 CA 1.380 6 residues pruned to eliminate duplicates Z: 42 19.692 2.075 0.513 0.308 0.805 0.561 CB 1.506 42 residues pruned to eliminate duplicates Z: 35 20.895 2.107 0.581 0.338 0.853 0.529 CB 1.505 35 residues pruned to eliminate duplicates Z: 25 19.308 2.119 0.510 0.424 0.875 0.625 CB 1.524 25 residues pruned to eliminate duplicates Z: 34 20.355 2.136 0.603 0.375 0.848 0.515 CB 1.394 34 residues pruned to eliminate duplicates Z: 36 17.377 2.090 0.468 0.326 0.857 0.486 CB 1.353 36 residues pruned to eliminate duplicates Z: 34 19.793 2.145 0.547 0.386 0.788 0.545 CB 1.487 34 residues pruned to eliminate duplicates Z: 8 5.199 2.163 0.175 0.211 0.714 0.429 CB 1.523 8 residues pruned to eliminate duplicates Z: 11 5.057 2.065 0.517 0.150 0.600 0.300 CB 1.309 11 residues pruned to eliminate duplicates Z: 17 12.123 2.179 0.425 0.320 0.812 0.625 CA 1.464 17 residues pruned to eliminate duplicates Z: 34 20.302 2.144 0.486 0.341 0.848 0.545 CB 1.554 34 residues pruned to eliminate duplicates Z: 36 17.568 2.076 0.473 0.316 0.800 0.486 CB 1.488 36 residues pruned to eliminate duplicates Z: 33 16.539 2.042 0.474 0.358 0.781 0.438 CB 1.448 33 residues pruned to eliminate duplicates Z: 37 14.167 2.030 0.396 0.276 0.778 0.444 CB 1.381 37 residues pruned to eliminate duplicates Z: 30 14.770 1.907 0.526 0.369 0.897 0.517 CA 1.209 30 residues pruned to eliminate duplicates Z: 36 18.700 2.113 0.475 0.366 0.857 0.400 CB 1.366 36 residues pruned to eliminate duplicates Z: 27 16.593 2.109 0.416 0.313 0.923 0.500 CB 1.452 27 residues pruned to eliminate duplicates Z: 26 15.395 2.114 0.399 0.324 0.840 0.680 CB 1.503 26 residues pruned to eliminate duplicates Z: 34 20.828 2.101 0.497 0.350 0.909 0.515 CB 1.491 34 residues pruned to eliminate duplicates Z: 18 13.182 2.034 0.391 0.425 0.882 0.588 CA 1.386 18 residues pruned to eliminate duplicates Z: 35 19.565 2.125 0.591 0.346 0.824 0.559 CB 1.424 35 residues pruned to eliminate duplicates Z: 34 21.755 2.161 0.510 0.350 0.879 0.515 CB 1.555 34 residues pruned to eliminate duplicates Z: 27 15.174 2.094 0.421 0.325 0.846 0.462 CA 1.432 27 residues pruned to eliminate duplicates Z: 29 15.723 2.064 0.453 0.339 0.786 0.536 CB 1.503 29 residues pruned to eliminate duplicates Z: 35 20.189 2.128 0.505 0.354 0.882 0.471 CB 1.435 35 residues pruned to eliminate duplicates Z: 33 16.762 2.156 0.390 0.378 0.750 0.469 CB 1.501 33 residues pruned to eliminate duplicates Z: 28 13.442 2.068 0.335 0.320 0.778 0.481 CA 1.470 28 residues pruned to eliminate duplicates Z: 20 11.858 2.065 0.268 0.382 0.789 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 16 16.178 2.065 0.419 0.465 0.933 0.667 CB 1.582 16 residues pruned to eliminate duplicates Z: 33 15.118 2.089 0.461 0.324 0.781 0.406 CB 1.360 33 residues pruned to eliminate duplicates Z: 16 7.142 1.807 0.233 0.304 0.800 0.467 CA 1.287 16 residues pruned to eliminate duplicates Z: 75 26.198 2.048 0.498 0.352 0.824 0.568 CB 1.413 75 residues pruned to eliminate duplicates Z: 62 25.506 2.027 0.567 0.355 0.852 0.492 CB 1.411 62 residues pruned to eliminate duplicates Z: 47 20.411 2.042 0.510 0.352 0.848 0.565 CB 1.352 47 residues pruned to eliminate duplicates Z: 15 11.477 1.818 0.435 0.404 0.929 0.571 CB 1.400 15 residues pruned to eliminate duplicates Z: 15 8.954 1.809 0.273 0.389 0.786 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 63 22.428 1.963 0.444 0.352 0.855 0.500 CB 1.379 63 residues pruned to eliminate duplicates Z: 63 23.528 2.042 0.355 0.375 0.887 0.548 CB 1.391 63 residues pruned to eliminate duplicates Z: 38 21.206 2.038 0.365 0.453 0.892 0.676 CB 1.474 38 residues pruned to eliminate duplicates Z: 22 16.295 1.990 0.396 0.489 0.905 0.476 CB 1.429 22 residues pruned to eliminate duplicates Z: 58 20.724 1.911 0.361 0.393 0.877 0.509 CB 1.347 58 residues pruned to eliminate duplicates Z: 42 21.158 2.007 0.317 0.417 0.902 0.561 CB 1.510 42 residues pruned to eliminate duplicates Z: 58 25.064 2.015 0.373 0.408 0.912 0.579 CB 1.448 58 residues pruned to eliminate duplicates Z: 67 24.593 2.010 0.395 0.368 0.909 0.485 CB 1.369 67 residues pruned to eliminate duplicates Z: 61 22.796 2.034 0.422 0.339 0.817 0.533 CB 1.485 61 residues pruned to eliminate duplicates Z: 21 15.948 1.966 0.522 0.454 0.900 0.450 CB 1.389 21 residues pruned to eliminate duplicates Z: 60 23.808 2.032 0.432 0.355 0.847 0.458 CB 1.470 60 residues pruned to eliminate duplicates Z: 55 22.668 2.005 0.372 0.420 0.870 0.500 CB 1.399 55 residues pruned to eliminate duplicates Z: 54 26.036 2.047 0.412 0.424 0.887 0.585 CB 1.510 54 residues pruned to eliminate duplicates Z: 23 16.846 2.082 0.407 0.445 0.955 0.591 CB 1.358 23 residues pruned to eliminate duplicates Z: 16 9.068 1.848 0.574 0.433 0.733 0.467 CB 1.176 16 residues pruned to eliminate duplicates Z: 44 20.098 1.963 0.423 0.379 0.860 0.535 CB 1.450 44 residues pruned to eliminate duplicates Z: 8 7.806 1.878 0.607 0.637 0.714 0.714 CB 1.204 8 residues pruned to eliminate duplicates Z: 11 12.440 2.108 0.366 0.514 0.900 0.600 CB 1.498 11 residues pruned to eliminate duplicates Z: 14 12.291 2.019 0.546 0.452 0.923 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 36 21.394 2.004 0.455 0.439 0.914 0.629 CB 1.444 36 residues pruned to eliminate duplicates Z: 48 22.173 1.946 0.460 0.409 0.872 0.617 CB 1.435 48 residues pruned to eliminate duplicates Z: 46 26.501 1.995 0.542 0.436 0.911 0.533 CB 1.507 46 residues pruned to eliminate duplicates Z: 23 21.467 2.075 0.558 0.422 1.000 0.591 CB 1.537 23 residues pruned to eliminate duplicates Z: 12 6.226 1.881 0.520 0.214 0.727 0.182 CA 1.264 12 residues pruned to eliminate duplicates Z: 16 15.073 2.046 0.488 0.406 1.000 0.467 CB 1.412 16 residues pruned to eliminate duplicates Z: 22 13.712 1.837 0.499 0.479 0.857 0.571 CB 1.295 22 residues pruned to eliminate duplicates Z: 16 12.722 1.920 0.449 0.478 0.933 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 17 15.276 1.938 0.644 0.562 0.875 0.562 CB 1.290 17 residues pruned to eliminate duplicates Z: 15 12.035 1.971 0.451 0.431 0.786 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 16 18.594 1.954 0.584 0.594 1.000 0.667 CB 1.418 16 residues pruned to eliminate duplicates Z: 49 20.763 1.932 0.464 0.461 0.875 0.583 CB 1.260 49 residues pruned to eliminate duplicates Z: 14 18.644 2.125 0.521 0.529 1.000 0.846 CB 1.554 14 residues pruned to eliminate duplicates Z: 20 15.184 1.876 0.630 0.487 0.895 0.632 CB 1.290 20 residues pruned to eliminate duplicates Z: 15 17.883 1.992 0.805 0.564 0.929 0.571 CB 1.346 15 residues pruned to eliminate duplicates Z: 26 13.790 1.960 0.543 0.429 0.840 0.640 CB 1.169 26 residues pruned to eliminate duplicates Z: 25 20.923 2.031 0.685 0.487 0.875 0.750 CB 1.444 25 residues pruned to eliminate duplicates Z: 29 19.862 1.939 0.703 0.411 0.893 0.571 CB 1.399 29 residues pruned to eliminate duplicates Z: 12 9.122 1.980 0.647 0.355 0.727 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 57 35.160 2.053 0.740 0.575 0.929 0.643 CB 1.318 57 residues pruned to eliminate duplicates Z: 24 22.143 2.041 0.812 0.491 0.913 0.609 CB 1.380 24 residues pruned to eliminate duplicates Z: 98 47.988 2.062 0.763 0.562 0.907 0.639 CB 1.392 98 residues pruned to eliminate duplicates Z: 11 8.984 1.920 0.773 0.355 0.800 0.300 CA 1.220 11 residues pruned to eliminate duplicates Z: 48 35.288 2.144 0.498 0.709 0.957 0.787 CA 1.385 48 residues pruned to eliminate duplicates Z: 53 41.120 2.181 0.518 0.662 0.962 0.731 CA 1.541 53 residues pruned to eliminate duplicates Z: 70 44.186 2.093 0.555 0.622 0.957 0.754 CB 1.522 70 residues pruned to eliminate duplicates Z: 80 49.541 2.154 0.650 0.615 0.937 0.696 CB 1.502 80 residues pruned to eliminate duplicates Z: 56 41.601 2.106 0.746 0.580 0.927 0.782 CA 1.523 56 residues pruned to eliminate duplicates Z: 42 33.818 2.127 0.711 0.596 0.976 0.732 CA 1.357 42 residues pruned to eliminate duplicates Z: 39 35.043 2.091 0.851 0.630 0.947 0.763 CA 1.372 39 residues pruned to eliminate duplicates Z: 53 41.813 2.176 0.629 0.648 0.962 0.731 CA 1.481 53 residues pruned to eliminate duplicates Z: 82 55.577 2.171 0.773 0.573 0.951 0.642 CB 1.573 99 residues pruned to eliminate duplicates Z: 22 39.015 2.270 0.642 0.869 1.000 0.810 CA 1.669 22 residues pruned to eliminate duplicates Z: 76 44.140 1.984 0.748 0.601 0.947 0.707 CA 1.410 76 residues pruned to eliminate duplicates Z: 76 45.241 2.134 0.760 0.559 0.933 0.587 CB 1.407 76 residues pruned to eliminate duplicates Z: 67 50.669 2.192 0.741 0.639 0.970 0.667 CB 1.480 67 residues pruned to eliminate duplicates Z: 46 46.237 2.168 0.836 0.702 0.956 0.711 CA 1.508 46 residues pruned to eliminate duplicates Z: 60 44.247 2.181 0.659 0.597 0.949 0.627 CA 1.528 60 residues pruned to eliminate duplicates Z: 39 37.629 2.173 0.745 0.642 0.895 0.579 CA 1.574 39 residues pruned to eliminate duplicates Z: 47 36.344 2.133 0.680 0.571 0.957 0.652 CA 1.460 47 residues pruned to eliminate duplicates Z: 52 39.232 2.148 0.610 0.667 0.941 0.686 CA 1.446 52 residues pruned to eliminate duplicates Z: 33 38.493 2.201 0.828 0.692 0.969 0.781 CA 1.465 33 residues pruned to eliminate duplicates Z: 71 46.285 2.093 0.690 0.628 0.929 0.714 CB 1.494 71 residues pruned to eliminate duplicates Z: 43 42.399 2.171 0.817 0.654 0.952 0.714 CA 1.509 43 residues pruned to eliminate duplicates Z: 40 30.401 2.033 0.866 0.592 0.923 0.692 CA 1.273 40 residues pruned to eliminate duplicates Z: 69 44.898 2.115 0.592 0.612 0.941 0.676 CB 1.546 69 residues pruned to eliminate duplicates Z: 53 44.784 2.155 0.655 0.680 0.981 0.731 CA 1.505 53 residues pruned to eliminate duplicates Z: 49 32.897 2.100 0.576 0.679 0.958 0.729 CA 1.270 49 residues pruned to eliminate duplicates Z: 54 41.684 2.140 0.651 0.633 0.943 0.660 CA 1.517 54 residues pruned to eliminate duplicates Z: 71 49.810 2.175 0.754 0.580 0.943 0.629 CB 1.532 71 residues pruned to eliminate duplicates Z: 64 46.828 2.176 0.663 0.622 0.968 0.667 CA 1.501 64 residues pruned to eliminate duplicates Z: 77 44.123 2.130 0.646 0.551 0.947 0.618 CB 1.450 77 residues pruned to eliminate duplicates Z: 52 32.053 2.085 0.508 0.641 0.922 0.706 CA 1.358 52 residues pruned to eliminate duplicates Z: 37 31.623 2.102 0.526 0.641 0.917 0.667 CA 1.570 37 residues pruned to eliminate duplicates Z: 67 44.777 2.100 0.701 0.615 0.939 0.621 CB 1.473 67 residues pruned to eliminate duplicates Z: 69 34.829 1.975 0.683 0.493 0.897 0.632 CB 1.427 69 residues pruned to eliminate duplicates Z: 75 51.754 2.166 0.756 0.577 0.973 0.622 CB 1.510 75 residues pruned to eliminate duplicates Z: 56 41.890 2.106 0.632 0.649 0.964 0.618 CA 1.484 56 residues pruned to eliminate duplicates Z: 13 15.932 2.040 0.467 0.752 0.917 0.750 CA 1.339 13 residues pruned to eliminate duplicates Z: 45 38.066 2.159 0.668 0.690 0.909 0.636 CA 1.473 45 residues pruned to eliminate duplicates Z: 56 36.084 2.106 0.582 0.614 0.964 0.636 CA 1.360 56 residues pruned to eliminate duplicates Z: 18 21.081 2.007 0.577 0.665 1.000 0.529 CA 1.386 18 residues pruned to eliminate duplicates Z: 76 53.071 2.165 0.718 0.602 0.973 0.587 CB 1.535 76 residues pruned to eliminate duplicates Z: 77 43.921 2.124 0.712 0.524 0.921 0.632 CB 1.469 77 residues pruned to eliminate duplicates Z: 63 47.445 2.200 0.682 0.595 0.968 0.629 CA 1.537 63 residues pruned to eliminate duplicates Z: 67 45.015 2.166 0.627 0.578 0.970 0.561 CB 1.504 67 residues pruned to eliminate duplicates Z: 53 43.185 2.204 0.701 0.594 0.962 0.577 CA 1.519 53 residues pruned to eliminate duplicates Z: 55 46.629 2.213 0.723 0.638 0.981 0.648 CA 1.491 55 residues pruned to eliminate duplicates Z: 66 44.530 2.093 0.770 0.587 0.954 0.569 CB 1.438 66 residues pruned to eliminate duplicates Z: 19 17.782 2.157 1.012 0.310 0.833 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 72 54.894 2.183 0.760 0.613 0.986 0.577 CB 1.546 72 residues pruned to eliminate duplicates Z: 6 5.369 1.678 1.030 0.287 0.800 0.400 N 1.119 6 residues pruned to eliminate duplicates Z: 64 45.780 2.166 0.705 0.612 0.937 0.603 CB 1.499 64 residues pruned to eliminate duplicates Z: 34 20.743 2.086 0.722 0.454 0.848 0.515 CB 1.242 34 residues pruned to eliminate duplicates Z: 42 33.090 2.165 0.746 0.553 0.927 0.512 CB 1.401 42 residues pruned to eliminate duplicates Z: 31 25.889 2.163 0.941 0.435 0.867 0.567 CB 1.389 31 residues pruned to eliminate duplicates Z: 20 18.986 2.128 0.995 0.340 0.842 0.526 CB 1.451 20 residues pruned to eliminate duplicates Z: 88 46.432 2.120 0.632 0.545 0.908 0.598 CB 1.516 88 residues pruned to eliminate duplicates Z: 74 54.638 2.138 0.814 0.625 0.986 0.671 CA 1.485 74 residues pruned to eliminate duplicates Z: 19 16.677 2.124 0.783 0.349 0.944 0.611 CB 1.294 19 residues pruned to eliminate duplicates Z: 79 52.074 2.136 0.769 0.585 0.974 0.654 CB 1.476 79 residues pruned to eliminate duplicates Z: 79 48.245 2.149 0.766 0.544 0.936 0.526 CB 1.474 79 residues pruned to eliminate duplicates Z: 84 47.011 2.123 0.709 0.559 0.928 0.590 CB 1.449 84 residues pruned to eliminate duplicates Z: 29 26.387 2.152 0.802 0.466 0.929 0.571 CB 1.434 30 residues pruned to eliminate duplicates Z: 13 13.932 1.861 0.347 0.622 1.000 0.500 CA 1.430 12 residues pruned to eliminate duplicates Z: 14 12.445 1.682 0.432 0.672 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 13 17.798 2.084 0.684 0.647 0.917 0.500 CB 1.392 13 residues pruned to eliminate duplicates Z: 21 20.884 2.107 0.929 0.464 0.900 0.500 CB 1.325 21 residues pruned to eliminate duplicates Z: 13 21.191 2.013 0.718 0.661 1.000 0.667 CB 1.524 13 residues pruned to eliminate duplicates Z: 15 19.587 2.036 0.732 0.612 0.857 0.500 CB 1.558 15 residues pruned to eliminate duplicates Z: 74 50.692 2.175 0.735 0.597 0.945 0.575 CB 1.516 74 residues pruned to eliminate duplicates Z: 15 14.138 1.840 0.431 0.688 0.857 0.429 CB 1.409 15 residues pruned to eliminate duplicates Z: 32 28.029 2.167 0.830 0.484 0.871 0.452 CB 1.482 32 residues pruned to eliminate duplicates Z: 15 16.700 1.873 0.867 0.585 0.786 0.571 CB 1.496 15 residues pruned to eliminate duplicates Z: 9 5.094 1.939 0.344 0.240 0.750 0.375 CB 1.246 Z: 6 3.305 1.512 0.879 0.334 0.800 0.400 CA 0.780 5 residues pruned to eliminate duplicates Z: 9 4.381 1.689 0.550 0.390 0.750 0.500 CA 0.887 6 residues pruned to eliminate duplicates Z: 6 7.588 1.439 0.848 0.675 1.000 0.600 N 1.086 7 residues pruned to eliminate duplicates Z: 11 5.564 1.636 0.770 0.452 0.600 0.200 CB 1.064 6 residues pruned to eliminate duplicates Z: 18 14.618 2.059 0.613 0.494 0.882 0.471 CB 1.217 21 residues pruned to eliminate duplicates Z: 6 5.316 1.638 0.696 0.466 1.000 1.000 CA 0.886 6 residues pruned to eliminate duplicates Z: 8 19.585 2.151 0.820 0.666 1.000 0.714 CB 1.621 8 residues pruned to eliminate duplicates Z: 8 18.663 2.132 0.751 0.673 1.000 0.714 CA 1.611 8 residues pruned to eliminate duplicates Z: 11 10.475 2.211 0.589 0.489 0.700 0.600 CB 1.362 11 residues pruned to eliminate duplicates Z: 10 15.065 2.114 0.511 0.534 1.000 0.667 CB 1.520 9 residues pruned to eliminate duplicates Z: 6 2.734 1.214 0.796 0.477 1.000 0.400 CB 0.574 Z: 7 3.977 1.702 0.538 0.382 0.667 0.333 CA 1.055 5 residues pruned to eliminate duplicates Z: 7 2.010 1.364 0.632 0.290 0.667 0.333 CB 0.699 7 residues pruned to eliminate duplicates Z: 11 5.404 1.812 0.517 0.143 0.800 0.600 CA 1.209 9 residues pruned to eliminate duplicates Z: 33 21.064 2.023 0.492 0.460 0.906 0.688 CA 1.417 52 residues pruned to eliminate duplicates Z: 44 24.638 2.019 0.530 0.461 0.907 0.651 CB 1.395 68 residues pruned to eliminate duplicates Z: 58 34.469 1.991 0.614 0.616 0.912 0.702 CB 1.395 58 residues pruned to eliminate duplicates Z: 12 5.363 1.757 0.375 0.329 0.818 0.182 CB 0.988 Z: 6 3.661 1.576 1.018 0.285 0.600 0.400 CA 1.092 6 residues pruned to eliminate duplicates Z: 10 6.573 1.737 0.592 0.362 0.889 0.333 CB 1.034 10 residues pruned to eliminate duplicates Z: 6 6.126 2.088 0.357 0.238 1.000 0.000 CA 1.311 6 residues pruned to eliminate duplicates Z: 20 15.671 2.081 0.729 0.326 0.842 0.474 CA 1.436 20 residues pruned to eliminate duplicates Z: 23 20.725 2.053 0.970 0.337 0.955 0.636 CA 1.367 23 residues pruned to eliminate duplicates Z: 7 10.426 1.654 0.889 0.490 1.000 0.833 CA 1.376 7 residues pruned to eliminate duplicates Z: 8 8.969 2.130 0.822 0.470 0.714 0.429 CB 1.260 8 residues pruned to eliminate duplicates Z: 18 12.399 1.871 0.828 0.409 0.765 0.471 CA 1.264 18 residues pruned to eliminate duplicates Z: 20 12.564 1.999 0.548 0.232 0.895 0.421 CA 1.422 20 residues pruned to eliminate duplicates Z: 42 35.151 1.991 0.661 0.671 0.951 0.683 CA 1.490 42 residues pruned to eliminate duplicates Z: 55 39.765 2.075 0.814 0.514 0.944 0.741 CA 1.502 55 residues pruned to eliminate duplicates Z: 42 31.119 2.023 0.614 0.586 0.902 0.732 CB 1.519 42 residues pruned to eliminate duplicates Z: 37 32.212 2.067 0.655 0.647 0.917 0.778 CA 1.492 37 residues pruned to eliminate duplicates Z: 57 35.501 2.058 0.668 0.526 0.893 0.661 CB 1.508 57 residues pruned to eliminate duplicates Z: 51 29.523 2.008 0.752 0.484 0.880 0.480 CB 1.371 39 residues pruned to eliminate duplicates Z: 7 6.843 1.710 0.925 0.359 0.833 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 27 40.982 2.174 0.780 0.779 1.000 0.808 CB 1.624 27 residues pruned to eliminate duplicates Z: 65 36.252 2.021 0.628 0.550 0.891 0.703 CB 1.473 65 residues pruned to eliminate duplicates Z: 39 31.297 2.015 0.751 0.507 0.947 0.632 CB 1.508 39 residues pruned to eliminate duplicates Z: 35 34.563 2.053 0.940 0.545 0.941 0.647 CB 1.513 35 residues pruned to eliminate duplicates Z: 55 34.672 2.021 0.713 0.505 0.907 0.685 CB 1.494 55 residues pruned to eliminate duplicates Z: 66 44.546 2.015 0.955 0.535 0.923 0.554 CB 1.468 70 residues pruned to eliminate duplicates Z: 23 36.138 2.025 0.635 0.921 1.000 0.909 CB 1.637 23 residues pruned to eliminate duplicates Z: 62 38.071 2.033 0.671 0.559 0.934 0.541 CB 1.451 62 residues pruned to eliminate duplicates Z: 41 33.881 2.038 0.752 0.607 0.900 0.750 CB 1.506 41 residues pruned to eliminate duplicates Z: 69 42.890 2.045 0.718 0.596 0.926 0.691 CB 1.458 69 residues pruned to eliminate duplicates Z: 41 36.159 2.002 0.797 0.610 0.950 0.650 CB 1.507 41 residues pruned to eliminate duplicates Z: 32 36.331 2.114 0.813 0.640 0.935 0.677 CB 1.596 32 residues pruned to eliminate duplicates Z: 65 41.070 2.056 0.802 0.522 0.906 0.656 CA 1.496 65 residues pruned to eliminate duplicates Z: 50 40.055 2.022 0.838 0.664 0.939 0.735 CB 1.409 50 residues pruned to eliminate duplicates Z: 37 35.675 2.063 0.851 0.602 0.944 0.750 CA 1.496 37 residues pruned to eliminate duplicates Z: 64 40.960 2.069 0.724 0.519 0.937 0.603 CB 1.515 64 residues pruned to eliminate duplicates Z: 33 23.944 2.026 0.737 0.548 0.844 0.500 CB 1.360 33 residues pruned to eliminate duplicates Z: 35 38.359 2.063 0.898 0.645 1.000 0.735 CB 1.468 35 residues pruned to eliminate duplicates Z: 63 42.076 2.023 0.809 0.509 0.952 0.548 CA 1.522 63 residues pruned to eliminate duplicates Z: 38 36.668 2.060 0.915 0.600 0.946 0.730 CA 1.468 38 residues pruned to eliminate duplicates Z: 54 41.837 2.092 0.794 0.517 0.943 0.547 CB 1.597 54 residues pruned to eliminate duplicates Z: 39 39.297 2.051 0.785 0.646 0.974 0.816 CA 1.561 39 residues pruned to eliminate duplicates Z: 59 45.891 2.079 0.850 0.598 0.966 0.655 CB 1.478 59 residues pruned to eliminate duplicates Z: 64 51.585 2.082 0.863 0.618 0.968 0.714 CB 1.548 64 residues pruned to eliminate duplicates Z: 49 29.815 2.039 0.747 0.363 0.938 0.542 CA 1.494 49 residues pruned to eliminate duplicates Z: 8 4.112 1.669 0.715 0.166 0.714 0.571 CA 1.141 8 residues pruned to eliminate duplicates Z: 40 36.827 2.043 0.807 0.631 0.923 0.667 CB 1.531 40 residues pruned to eliminate duplicates Z: 53 40.011 2.011 0.792 0.639 0.942 0.673 CB 1.435 53 residues pruned to eliminate duplicates Z: 53 45.884 2.029 0.925 0.652 0.962 0.712 CB 1.471 53 residues pruned to eliminate duplicates Z: 64 44.066 2.059 0.770 0.610 0.921 0.683 CB 1.491 64 residues pruned to eliminate duplicates Z: 46 37.151 2.050 0.651 0.673 0.956 0.644 CB 1.460 46 residues pruned to eliminate duplicates Z: 38 24.746 1.979 0.674 0.446 0.919 0.622 CA 1.413 31 residues pruned to eliminate duplicates Z: 11 16.244 1.787 0.833 0.817 0.900 0.700 CA 1.322 11 residues pruned to eliminate duplicates Z: 62 49.340 2.054 0.921 0.651 0.967 0.754 CB 1.438 62 residues pruned to eliminate duplicates Z: 50 47.531 2.061 0.969 0.692 0.980 0.612 CB 1.432 23 residues pruned to eliminate duplicates Z: 10 14.371 1.760 0.663 0.879 1.000 0.667 CA 1.187 10 residues pruned to eliminate duplicates Z: 65 52.927 2.081 0.897 0.616 0.984 0.594 CA 1.526 65 residues pruned to eliminate duplicates Z: 64 44.119 2.065 0.857 0.586 0.921 0.635 CB 1.449 64 residues pruned to eliminate duplicates Z: 56 38.469 2.088 0.680 0.540 0.945 0.655 CA 1.504 34 residues pruned to eliminate duplicates 723 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 11 D: 6 E: 7 F: 10 G: 8 H: 15 I: 36 J: 6 K: 10 L: 19 M: 17 N: 34 O: 129 P: 88 Q: 28 R: 28 S: 7 T: 8 U: 156 V: 9 W: 63 X: 7 Y: 9 CC for partial structure against native data = 27.82 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.300, Contrast = 0.384, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.557, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6454 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1289 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 13.164 1.860 0.537 0.743 0.900 0.500 CB 1.301 B: 27 15.939 2.059 0.410 0.316 0.885 0.538 CA 1.492 C: 22 28.373 2.165 0.385 0.898 1.000 0.810 CB 1.477 D: 9 19.508 2.058 0.715 0.776 1.000 0.750 CB 1.531 E: 68 46.616 2.145 0.703 0.602 0.970 0.642 CB 1.459 F: 22 31.138 2.187 0.523 0.941 1.000 0.905 CB 1.415 22 residues pruned to eliminate duplicates G: 70 38.600 2.069 0.509 0.570 0.957 0.652 CA 1.455 41 residues pruned to eliminate duplicates H: 21 26.227 2.200 0.320 0.928 0.950 0.800 CB 1.488 21 residues pruned to eliminate duplicates I: 22 38.503 2.055 0.741 0.938 1.000 0.952 CB 1.633 J: 22 33.652 2.009 0.686 0.920 1.000 0.857 CA 1.527 22 residues pruned to eliminate duplicates K: 45 37.900 2.132 0.913 0.522 0.955 0.500 CB 1.435 40 residues pruned to eliminate duplicates L: 13 16.494 1.953 0.583 0.792 0.917 0.583 CB 1.301 13 residues pruned to eliminate duplicates M: 21 22.359 1.963 0.345 0.866 1.000 0.750 CA 1.386 21 residues pruned to eliminate duplicates N: 11 22.113 2.158 0.688 0.885 1.000 0.700 CB 1.386 O: 33 20.914 2.048 0.459 0.405 0.906 0.531 CA 1.508 P: 22 32.464 1.918 0.709 0.844 1.000 0.857 CA 1.608 22 residues pruned to eliminate duplicates Q: 12 15.963 1.972 0.341 0.902 1.000 0.818 CB 1.298 12 residues pruned to eliminate duplicates R: 21 26.832 2.179 0.329 0.930 1.000 0.750 CB 1.449 21 residues pruned to eliminate duplicates S: 11 17.228 2.077 0.508 0.914 1.000 0.900 CA 1.230 11 residues pruned to eliminate duplicates T: 18 32.835 2.235 0.579 0.941 1.000 0.824 CB 1.566 18 residues pruned to eliminate duplicates U: 11 17.047 2.012 0.806 0.879 0.900 0.800 CA 1.196 11 residues pruned to eliminate duplicates V: 21 35.564 2.188 0.718 0.901 1.000 0.850 CA 1.510 21 residues pruned to eliminate duplicates W: 10 14.044 1.894 0.537 0.837 0.778 0.556 N 1.547 10 residues pruned to eliminate duplicates X: 30 20.091 2.023 0.469 0.419 0.931 0.448 CA 1.468 28 residues pruned to eliminate duplicates Y: 15 31.491 2.174 0.772 0.893 1.000 0.786 CB 1.569 15 residues pruned to eliminate duplicates Z: 21 13.261 1.899 0.501 0.396 0.850 0.600 CB 1.367 21 residues pruned to eliminate duplicates Z: 9 12.570 1.924 0.462 0.899 1.000 0.750 CB 1.129 Z: 13 12.808 2.224 0.790 0.323 0.833 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 21 43.513 2.270 0.815 0.939 1.000 0.950 CA 1.640 21 residues pruned to eliminate duplicates Z: 21 42.619 2.085 1.023 0.932 1.000 1.000 CB 1.578 22 residues pruned to eliminate duplicates Z: 25 14.180 1.906 0.290 0.465 0.875 0.500 CB 1.394 Z: 11 10.737 2.051 0.145 0.828 0.900 0.900 CB 1.210 11 residues pruned to eliminate duplicates Z: 22 30.812 2.003 0.626 0.882 1.000 0.905 CA 1.495 22 residues pruned to eliminate duplicates Z: 21 44.777 2.274 0.851 0.931 1.000 0.850 CB 1.662 21 residues pruned to eliminate duplicates Z: 12 16.631 1.941 0.603 0.817 0.909 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 13 9.666 1.609 0.244 0.701 0.917 0.333 CB 1.266 11 residues pruned to eliminate duplicates Z: 21 29.421 2.194 0.534 0.896 1.000 0.900 CB 1.400 21 residues pruned to eliminate duplicates Z: 22 25.761 1.980 0.661 0.924 1.000 0.810 CA 1.200 Z: 12 6.349 1.632 0.774 0.331 0.727 0.455 CB 1.094 Z: 21 38.304 2.254 0.630 0.927 1.000 0.850 CB 1.633 21 residues pruned to eliminate duplicates Z: 73 25.244 1.985 0.494 0.417 0.819 0.597 CB 1.336 Z: 14 8.820 2.030 0.429 0.335 0.769 0.538 CB 1.313 Z: 11 13.474 1.914 0.420 0.782 0.900 0.800 CB 1.358 13 residues pruned to eliminate duplicates Z: 29 16.090 1.985 0.378 0.408 0.929 0.643 CB 1.318 35 residues pruned to eliminate duplicates Z: 11 14.973 1.713 0.579 0.780 1.000 0.700 CA 1.368 11 residues pruned to eliminate duplicates Z: 23 37.079 1.980 0.732 0.904 1.000 0.955 CA 1.642 21 residues pruned to eliminate duplicates Z: 16 22.151 2.046 0.498 0.925 1.000 0.733 CA 1.310 16 residues pruned to eliminate duplicates Z: 29 19.904 2.019 0.588 0.416 0.929 0.429 CB 1.379 Z: 21 40.461 2.274 0.685 0.933 1.000 1.000 CA 1.647 21 residues pruned to eliminate duplicates Z: 22 38.291 2.019 1.022 0.917 1.000 0.762 CB 1.444 22 residues pruned to eliminate duplicates Z: 36 15.158 2.013 0.392 0.330 0.771 0.486 CB 1.427 24 residues pruned to eliminate duplicates Z: 10 9.656 1.953 0.939 0.264 0.778 0.333 CA 1.431 9 residues pruned to eliminate duplicates Z: 8 11.654 1.931 0.530 0.643 1.000 0.429 CA 1.304 8 residues pruned to eliminate duplicates Z: 35 32.766 2.088 0.677 0.626 0.912 0.706 CA 1.563 25 residues pruned to eliminate duplicates Z: 59 33.738 1.975 0.612 0.611 0.897 0.655 CA 1.398 46 residues pruned to eliminate duplicates Z: 23 15.091 2.000 0.380 0.500 0.818 0.591 CA 1.425 23 residues pruned to eliminate duplicates Z: 21 15.611 2.061 0.721 0.342 0.850 0.450 CB 1.376 Z: 22 29.939 2.103 0.594 0.901 1.000 0.667 CB 1.391 22 residues pruned to eliminate duplicates Z: 78 36.868 2.012 0.562 0.549 0.935 0.623 CA 1.363 77 residues pruned to eliminate duplicates Z: 11 9.269 1.779 0.886 0.458 0.900 0.700 CB 1.013 11 residues pruned to eliminate duplicates Z: 18 15.963 1.903 0.508 0.550 0.941 0.647 CB 1.365 18 residues pruned to eliminate duplicates Z: 31 17.092 2.012 0.493 0.422 0.833 0.500 CB 1.352 30 residues pruned to eliminate duplicates Z: 27 20.626 2.044 0.642 0.487 0.885 0.654 CB 1.380 27 residues pruned to eliminate duplicates Z: 60 43.280 2.105 0.646 0.601 1.000 0.593 CA 1.478 66 residues pruned to eliminate duplicates Z: 37 11.962 1.829 0.268 0.363 0.861 0.500 CB 1.156 Z: 15 20.231 1.981 0.675 0.737 1.000 0.500 CA 1.317 15 residues pruned to eliminate duplicates Z: 21 45.219 2.291 0.887 0.939 1.000 0.650 CB 1.625 21 residues pruned to eliminate duplicates Z: 11 10.916 1.836 0.666 0.342 0.900 0.600 CA 1.490 11 residues pruned to eliminate duplicates Z: 11 13.424 1.840 0.786 0.647 0.900 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 6 3.448 1.908 0.236 0.384 0.600 0.600 CB 1.234 Z: 9 13.656 1.939 0.439 0.689 1.000 0.750 CB 1.456 9 residues pruned to eliminate duplicates Z: 7 11.251 2.063 -0.041 0.869 1.000 0.833 CB 1.698 7 residues pruned to eliminate duplicates Z: 21 33.936 2.157 0.782 0.910 1.000 0.700 CB 1.400 22 residues pruned to eliminate duplicates Z: 22 35.476 2.155 0.740 0.931 1.000 0.524 CB 1.443 21 residues pruned to eliminate duplicates Z: 16 15.960 1.910 0.557 0.798 0.933 0.600 CA 1.145 16 residues pruned to eliminate duplicates Z: 45 14.135 1.707 0.300 0.443 0.932 0.591 CB 1.093 37 residues pruned to eliminate duplicates Z: 22 34.688 2.005 0.916 0.921 0.952 0.619 CB 1.455 22 residues pruned to eliminate duplicates Z: 24 15.533 2.031 0.310 0.453 0.870 0.565 CA 1.468 24 residues pruned to eliminate duplicates Z: 15 22.294 2.009 1.053 0.704 0.929 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 20 45.153 2.312 0.883 0.918 1.000 0.789 CB 1.678 20 residues pruned to eliminate duplicates Z: 20 45.709 2.303 1.039 0.915 1.000 0.632 CB 1.579 20 residues pruned to eliminate duplicates Z: 8 8.142 1.827 0.884 0.587 0.857 0.571 CA 0.960 8 residues pruned to eliminate duplicates Z: 8 14.430 2.068 0.288 0.870 0.857 0.571 CA 1.745 8 residues pruned to eliminate duplicates Z: 34 23.225 2.064 0.506 0.475 0.939 0.636 CB 1.420 15 residues pruned to eliminate duplicates Z: 13 15.169 1.898 0.515 0.588 1.000 0.583 CA 1.399 13 residues pruned to eliminate duplicates Z: 18 11.398 1.805 0.487 0.514 0.941 0.706 CB 1.079 Z: 12 16.646 2.047 0.502 0.807 1.000 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 13 14.010 1.898 1.034 0.404 0.833 0.583 CA 1.390 Z: 17 11.685 1.735 0.364 0.412 1.000 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 77 37.510 2.060 0.522 0.544 0.895 0.539 CA 1.470 77 residues pruned to eliminate duplicates Z: 21 23.297 2.000 0.251 0.920 1.000 0.950 CB 1.467 21 residues pruned to eliminate duplicates Z: 13 8.450 1.775 0.599 0.394 0.750 0.583 C 1.282 4 residues pruned to eliminate duplicates Z: 9 14.589 1.914 0.355 0.826 1.000 0.750 CB 1.500 9 residues pruned to eliminate duplicates Z: 69 40.494 2.044 0.661 0.555 0.912 0.529 CB 1.504 69 residues pruned to eliminate duplicates Z: 7 7.664 1.896 0.615 0.598 0.833 0.500 CB 1.117 Z: 25 17.064 2.001 0.630 0.377 0.917 0.542 CB 1.328 25 residues pruned to eliminate duplicates Z: 36 17.214 2.061 0.453 0.350 0.800 0.400 CB 1.430 27 residues pruned to eliminate duplicates Z: 8 5.816 1.896 0.250 0.531 0.857 0.714 CB 1.050 Z: 26 10.711 1.964 0.180 0.365 0.880 0.520 CB 1.215 Z: 21 45.395 2.276 0.875 0.953 1.000 0.950 CA 1.637 21 residues pruned to eliminate duplicates Z: 65 48.248 2.057 0.891 0.624 0.938 0.641 CB 1.471 48 residues pruned to eliminate duplicates Z: 12 12.922 1.841 0.694 0.424 0.909 0.545 CB 1.488 13 residues pruned to eliminate duplicates Z: 37 15.730 2.016 0.495 0.300 0.778 0.500 CB 1.398 37 residues pruned to eliminate duplicates Z: 21 15.983 1.942 0.589 0.479 0.850 0.650 CB 1.392 21 residues pruned to eliminate duplicates Z: 21 38.646 2.095 1.054 0.931 1.000 0.600 CB 1.403 21 residues pruned to eliminate duplicates Z: 20 45.251 2.240 1.053 0.917 1.000 0.789 CB 1.593 20 residues pruned to eliminate duplicates Z: 9 6.393 1.742 0.375 0.469 0.875 0.625 CB 1.113 Z: 17 11.370 1.885 0.494 0.394 0.875 0.750 CA 1.292 Z: 8 5.079 1.632 0.192 0.689 0.857 0.571 CB 0.968 Z: 29 15.531 1.749 0.466 0.436 0.964 0.643 CA 1.269 29 residues pruned to eliminate duplicates Z: 10 13.395 1.820 0.641 0.549 1.000 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 8 3.904 1.779 0.126 0.598 0.714 0.571 CB 0.940 8 residues pruned to eliminate duplicates Z: 11 8.596 1.935 0.547 0.388 0.700 0.600 CA 1.461 11 residues pruned to eliminate duplicates Z: 35 22.450 2.023 0.511 0.472 0.971 0.529 CB 1.335 34 residues pruned to eliminate duplicates Z: 19 14.976 1.771 0.930 0.469 0.889 0.667 CB 1.199 19 residues pruned to eliminate duplicates Z: 16 6.851 1.824 0.004 0.366 0.933 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 21 23.198 2.202 0.190 0.906 0.950 0.850 CB 1.482 21 residues pruned to eliminate duplicates Z: 66 47.071 2.059 0.980 0.576 0.923 0.600 CB 1.442 66 residues pruned to eliminate duplicates Z: 21 24.241 1.987 0.714 0.898 0.900 0.650 CA 1.265 21 residues pruned to eliminate duplicates Z: 19 15.946 2.042 0.414 0.540 0.889 0.667 CB 1.408 19 residues pruned to eliminate duplicates Z: 21 42.769 2.244 0.816 0.946 1.000 0.700 CB 1.623 21 residues pruned to eliminate duplicates Z: 10 12.255 1.609 0.763 0.722 0.889 0.444 CA 1.326 10 residues pruned to eliminate duplicates Z: 8 4.314 1.853 0.026 0.550 0.857 0.714 CB 0.953 8 residues pruned to eliminate duplicates Z: 15 14.720 2.064 0.558 0.490 0.786 0.643 CB 1.572 15 residues pruned to eliminate duplicates Z: 18 10.699 1.829 0.368 0.525 0.882 0.588 CB 1.147 18 residues pruned to eliminate duplicates Z: 22 11.578 1.901 0.227 0.417 0.905 0.524 CA 1.306 20 residues pruned to eliminate duplicates Z: 83 36.501 2.033 0.445 0.554 0.927 0.622 CA 1.404 77 residues pruned to eliminate duplicates Z: 11 13.702 1.994 0.660 0.584 1.000 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 20 5.953 1.766 0.486 0.278 0.632 0.579 CB 1.059 Z: 11 9.290 2.030 0.820 0.476 0.800 0.700 CB 1.019 11 residues pruned to eliminate duplicates Z: 63 42.877 2.121 0.607 0.593 0.952 0.806 CB 1.536 63 residues pruned to eliminate duplicates Z: 10 4.087 1.759 0.047 0.433 0.778 0.556 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 3.352 1.745 -0.026 0.638 0.800 0.800 CB 0.969 Z: 24 21.471 2.034 0.525 0.540 0.913 0.609 CB 1.521 24 residues pruned to eliminate duplicates Z: 8 6.418 1.807 0.255 0.611 0.857 0.714 CB 1.124 Z: 19 29.540 2.079 0.841 0.931 1.000 0.833 CA 1.271 19 residues pruned to eliminate duplicates Z: 32 27.562 2.080 0.744 0.459 0.935 0.548 CB 1.522 32 residues pruned to eliminate duplicates Z: 7 3.757 1.601 0.359 0.442 0.667 0.667 N 1.123 5 residues pruned to eliminate duplicates Z: 21 13.325 1.929 0.449 0.417 0.900 0.350 CA 1.292 21 residues pruned to eliminate duplicates Z: 13 18.198 1.876 1.114 0.484 0.917 0.500 CB 1.469 12 residues pruned to eliminate duplicates Z: 20 45.680 2.264 0.943 0.924 1.000 0.737 CB 1.673 20 residues pruned to eliminate duplicates Z: 21 37.454 2.073 0.859 0.933 1.000 0.950 CB 1.516 21 residues pruned to eliminate duplicates Z: 31 35.214 2.148 0.684 0.706 0.967 0.700 CB 1.524 31 residues pruned to eliminate duplicates Z: 30 19.361 2.062 0.752 0.354 0.828 0.483 CA 1.409 35 residues pruned to eliminate duplicates Z: 23 43.095 1.973 0.992 0.933 1.000 0.818 CB 1.631 23 residues pruned to eliminate duplicates Z: 25 19.697 2.020 0.344 0.641 0.958 0.750 CA 1.354 25 residues pruned to eliminate duplicates Z: 22 42.676 2.217 0.830 0.911 1.000 0.667 CB 1.627 22 residues pruned to eliminate duplicates Z: 8 12.119 1.935 1.075 0.469 0.857 0.286 CA 1.374 8 residues pruned to eliminate duplicates Z: 10 12.740 1.820 0.534 0.891 1.000 0.778 CA 1.094 10 residues pruned to eliminate duplicates Z: 25 17.416 1.968 0.522 0.416 0.875 0.708 CB 1.481 25 residues pruned to eliminate duplicates Z: 10 16.778 2.079 0.761 0.823 0.778 0.556 CB 1.484 10 residues pruned to eliminate duplicates Z: 63 47.131 2.067 0.814 0.629 0.984 0.661 CB 1.437 15 residues pruned to eliminate duplicates Z: 17 13.574 1.643 0.922 0.402 0.938 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 6 3.924 1.740 0.091 0.387 0.800 0.400 CB 1.303 Z: 22 12.048 1.928 0.173 0.379 1.000 0.667 CB 1.323 21 residues pruned to eliminate duplicates Z: 7 8.511 1.687 0.807 0.556 0.833 0.500 CB 1.296 Z: 22 35.092 2.025 0.814 0.900 0.952 0.810 CB 1.563 22 residues pruned to eliminate duplicates Z: 11 7.171 1.832 0.392 0.458 0.700 0.500 CA 1.325 11 residues pruned to eliminate duplicates Z: 16 8.777 1.934 0.224 0.437 0.733 0.467 CB 1.394 16 residues pruned to eliminate duplicates Z: 18 35.526 2.160 0.907 0.872 0.941 0.765 CB 1.620 18 residues pruned to eliminate duplicates Z: 8 6.502 1.971 0.701 0.590 0.714 0.714 CB 0.941 8 residues pruned to eliminate duplicates Z: 20 35.742 2.204 0.722 0.932 1.000 0.684 CB 1.509 20 residues pruned to eliminate duplicates Z: 9 3.572 1.833 0.515 0.388 0.750 0.375 CB 0.683 9 residues pruned to eliminate duplicates Z: 21 38.825 2.205 0.815 0.945 1.000 0.550 CB 1.501 21 residues pruned to eliminate duplicates Z: 11 8.995 2.062 0.142 0.482 0.900 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 27 18.246 2.162 0.798 0.375 0.808 0.500 CB 1.302 27 residues pruned to eliminate duplicates Z: 17 13.076 1.863 0.739 0.629 0.750 0.312 CB 1.192 17 residues pruned to eliminate duplicates Z: 67 34.444 2.013 0.612 0.599 0.879 0.636 CA 1.354 67 residues pruned to eliminate duplicates Z: 9 10.501 1.951 0.417 0.774 0.875 0.750 CA 1.204 9 residues pruned to eliminate duplicates Z: 20 36.288 2.055 0.885 0.929 1.000 0.737 CB 1.504 20 residues pruned to eliminate duplicates Z: 10 16.745 2.121 0.451 0.857 0.889 0.778 CA 1.504 10 residues pruned to eliminate duplicates Z: 23 20.669 2.064 0.753 0.426 0.909 0.727 CA 1.447 23 residues pruned to eliminate duplicates Z: 30 12.931 1.909 0.160 0.406 0.931 0.724 CB 1.285 28 residues pruned to eliminate duplicates Z: 12 9.335 2.022 0.289 0.416 0.909 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 14 11.096 1.935 0.483 0.405 0.846 0.769 CA 1.401 14 residues pruned to eliminate duplicates Z: 29 19.799 2.094 0.693 0.438 0.857 0.536 CB 1.313 29 residues pruned to eliminate duplicates Z: 13 19.127 1.988 0.735 0.586 1.000 0.583 CB 1.474 13 residues pruned to eliminate duplicates Z: 35 25.732 2.001 0.574 0.564 0.912 0.765 CB 1.444 35 residues pruned to eliminate duplicates Z: 21 38.660 2.266 0.622 0.918 1.000 0.850 CA 1.658 21 residues pruned to eliminate duplicates Z: 11 24.912 2.139 0.959 0.911 1.000 0.900 CB 1.332 11 residues pruned to eliminate duplicates Z: 12 5.532 1.669 0.185 0.489 0.818 0.545 CB 1.043 10 residues pruned to eliminate duplicates Z: 8 14.514 2.081 0.410 0.839 1.000 0.714 CA 1.397 9 residues pruned to eliminate duplicates Z: 37 20.706 1.919 0.615 0.470 0.833 0.611 CB 1.378 37 residues pruned to eliminate duplicates Z: 21 45.612 2.277 0.852 0.937 1.000 0.950 CA 1.683 21 residues pruned to eliminate duplicates Z: 22 27.571 2.128 0.300 0.926 1.000 0.857 CB 1.525 22 residues pruned to eliminate duplicates Z: 20 11.195 1.726 0.626 0.382 0.895 0.579 CB 1.159 20 residues pruned to eliminate duplicates Z: 21 16.895 1.955 0.576 0.501 0.850 0.600 CB 1.441 21 residues pruned to eliminate duplicates Z: 75 33.444 2.037 0.504 0.510 0.905 0.622 CA 1.387 75 residues pruned to eliminate duplicates Z: 17 15.812 2.098 0.258 0.817 0.875 0.688 CB 1.300 17 residues pruned to eliminate duplicates Z: 16 10.793 1.906 0.522 0.481 0.867 0.467 CB 1.130 16 residues pruned to eliminate duplicates Z: 8 10.626 1.653 0.367 0.874 1.000 1.000 CA 1.293 8 residues pruned to eliminate duplicates Z: 13 6.104 1.734 0.001 0.409 0.917 0.500 CB 1.219 13 residues pruned to eliminate duplicates Z: 19 10.435 1.970 0.323 0.346 0.833 0.611 CA 1.338 19 residues pruned to eliminate duplicates Z: 8 20.395 2.059 0.819 0.817 1.000 1.000 CA 1.562 8 residues pruned to eliminate duplicates Z: 14 10.983 1.903 0.279 0.453 0.923 0.308 CB 1.422 14 residues pruned to eliminate duplicates Z: 16 14.825 2.001 0.489 0.613 1.000 0.733 CB 1.154 16 residues pruned to eliminate duplicates Z: 22 32.855 2.002 0.834 0.895 1.000 0.810 CB 1.400 22 residues pruned to eliminate duplicates Z: 11 8.625 1.794 0.188 0.445 1.000 0.600 CA 1.354 12 residues pruned to eliminate duplicates Z: 8 4.260 1.793 0.194 0.565 0.857 0.714 CB 0.824 8 residues pruned to eliminate duplicates Z: 22 15.335 1.989 0.634 0.567 0.810 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 23 40.597 1.980 0.994 0.911 1.000 0.727 CB 1.553 23 residues pruned to eliminate duplicates Z: 9 7.755 2.029 0.217 0.523 0.875 0.500 CA 1.241 9 residues pruned to eliminate duplicates Z: 11 9.327 1.980 0.484 0.414 0.900 0.800 CB 1.221 20 residues pruned to eliminate duplicates Z: 22 36.994 2.037 0.928 0.916 1.000 0.762 CB 1.452 22 residues pruned to eliminate duplicates Z: 31 12.334 1.788 0.194 0.407 1.000 0.567 CB 1.163 30 residues pruned to eliminate duplicates Z: 20 9.986 1.917 0.367 0.339 0.789 0.474 CA 1.319 20 residues pruned to eliminate duplicates Z: 65 46.038 1.989 0.868 0.615 0.953 0.656 CB 1.457 65 residues pruned to eliminate duplicates Z: 38 32.698 2.064 0.741 0.630 1.000 0.838 CA 1.324 38 residues pruned to eliminate duplicates Z: 8 5.977 1.847 0.230 0.380 0.857 0.286 CA 1.318 8 residues pruned to eliminate duplicates Z: 50 20.591 1.953 0.552 0.353 0.837 0.469 CB 1.359 50 residues pruned to eliminate duplicates Z: 16 10.709 2.012 0.298 0.392 0.867 0.467 CB 1.370 16 residues pruned to eliminate duplicates Z: 33 18.435 1.990 0.623 0.421 0.875 0.594 CB 1.252 33 residues pruned to eliminate duplicates Z: 8 11.103 1.621 0.677 0.874 1.000 1.000 CA 1.123 8 residues pruned to eliminate duplicates Z: 7 6.868 1.822 -0.007 0.715 1.000 0.500 CB 1.275 8 residues pruned to eliminate duplicates Z: 7 5.573 1.649 0.626 0.549 0.833 0.833 CB 0.971 Z: 8 11.249 2.026 0.872 0.581 0.857 0.714 CA 1.209 8 residues pruned to eliminate duplicates Z: 17 8.152 1.797 0.134 0.427 0.938 0.625 CB 1.150 17 residues pruned to eliminate duplicates Z: 20 14.202 1.990 0.626 0.338 0.895 0.474 CB 1.343 20 residues pruned to eliminate duplicates Z: 7 5.951 1.647 0.461 0.647 0.833 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 15 9.266 1.899 0.211 0.376 0.929 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 11 8.549 2.031 0.339 0.374 0.800 0.700 CB 1.421 11 residues pruned to eliminate duplicates Z: 9 11.673 1.922 0.770 0.593 0.875 0.625 CB 1.268 7 residues pruned to eliminate duplicates Z: 47 22.860 1.975 0.421 0.432 0.913 0.543 CB 1.411 57 residues pruned to eliminate duplicates Z: 33 20.067 2.034 0.476 0.524 0.844 0.594 CB 1.368 33 residues pruned to eliminate duplicates Z: 21 40.887 2.281 0.661 0.912 1.000 0.650 CA 1.709 21 residues pruned to eliminate duplicates Z: 8 4.673 1.591 0.278 0.435 0.857 0.857 CB 1.084 7 residues pruned to eliminate duplicates Z: 14 8.001 1.835 0.545 0.353 0.846 0.538 CB 1.085 14 residues pruned to eliminate duplicates Z: 32 14.522 1.891 0.249 0.395 0.935 0.645 CB 1.320 30 residues pruned to eliminate duplicates Z: 13 16.410 1.926 0.433 0.850 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 21 12.466 1.943 0.509 0.348 0.850 0.600 CA 1.319 21 residues pruned to eliminate duplicates Z: 11 6.547 1.654 0.387 0.561 0.700 0.400 CB 1.216 Z: 16 22.669 2.036 0.956 0.899 0.867 0.533 CB 1.212 16 residues pruned to eliminate duplicates Z: 21 30.913 2.178 0.602 0.926 0.950 0.800 CB 1.462 21 residues pruned to eliminate duplicates Z: 50 43.033 2.200 0.667 0.701 0.959 0.796 CA 1.454 50 residues pruned to eliminate duplicates Z: 11 9.962 1.917 0.780 0.441 0.700 0.700 CA 1.401 7 residues pruned to eliminate duplicates Z: 63 36.413 1.981 0.583 0.636 0.952 0.645 CA 1.364 63 residues pruned to eliminate duplicates Z: 7 15.196 1.984 0.790 0.677 0.833 0.833 C 1.782 7 residues pruned to eliminate duplicates Z: 17 9.979 1.772 0.833 0.187 0.938 0.312 CB 1.192 17 residues pruned to eliminate duplicates Z: 10 15.422 1.771 0.861 0.904 1.000 0.778 CA 1.111 10 residues pruned to eliminate duplicates Z: 19 26.023 2.059 0.766 0.907 1.000 0.722 CA 1.198 19 residues pruned to eliminate duplicates Z: 40 30.050 1.962 0.721 0.601 0.923 0.744 CB 1.402 40 residues pruned to eliminate duplicates Z: 23 9.229 1.746 0.412 0.417 0.773 0.409 CB 1.126 26 residues pruned to eliminate duplicates Z: 74 51.486 2.158 0.737 0.600 0.959 0.630 CB 1.525 74 residues pruned to eliminate duplicates Z: 6 3.607 1.330 0.642 0.539 0.800 0.600 CA 0.889 6 residues pruned to eliminate duplicates Z: 9 6.175 1.610 0.307 0.760 0.875 0.375 CB 0.941 9 residues pruned to eliminate duplicates Z: 10 9.188 1.793 0.662 0.323 0.889 0.556 N 1.405 Z: 36 20.571 1.941 0.435 0.508 0.886 0.629 CB 1.399 36 residues pruned to eliminate duplicates Z: 25 16.134 1.884 0.654 0.416 0.875 0.583 CB 1.318 25 residues pruned to eliminate duplicates Z: 20 31.987 2.054 0.871 0.925 1.000 0.632 CA 1.340 20 residues pruned to eliminate duplicates Z: 22 44.023 2.189 1.029 0.858 0.952 0.667 CA 1.672 22 residues pruned to eliminate duplicates Z: 20 17.120 1.927 0.188 0.901 0.947 0.947 CA 1.293 20 residues pruned to eliminate duplicates Z: 7 5.448 1.720 0.390 0.466 0.833 0.667 CB 1.155 Z: 57 37.696 2.026 0.572 0.652 0.964 0.714 CA 1.423 57 residues pruned to eliminate duplicates Z: 6 2.280 1.411 0.094 0.442 1.000 0.400 CB 0.702 Z: 12 12.515 1.861 0.860 0.454 0.818 0.545 CB 1.397 12 residues pruned to eliminate duplicates Z: 52 22.470 1.956 0.464 0.404 0.882 0.627 CB 1.377 52 residues pruned to eliminate duplicates Z: 11 8.913 1.927 0.724 0.419 0.900 0.500 CB 1.026 11 residues pruned to eliminate duplicates Z: 8 6.829 1.715 0.398 0.775 0.857 0.714 CB 0.985 8 residues pruned to eliminate duplicates Z: 8 7.224 1.937 0.602 0.552 0.857 0.714 CB 0.976 7 residues pruned to eliminate duplicates Z: 23 12.666 1.834 0.410 0.418 0.864 0.636 CA 1.317 17 residues pruned to eliminate duplicates Z: 6 5.282 1.790 0.563 0.544 1.000 0.600 CB 0.809 6 residues pruned to eliminate duplicates Z: 19 19.407 2.036 0.315 0.883 0.944 0.833 CA 1.308 19 residues pruned to eliminate duplicates Z: 7 6.894 1.802 0.292 0.495 0.833 0.500 CA 1.458 Z: 17 6.542 1.784 0.356 0.251 0.750 0.562 CB 1.200 17 residues pruned to eliminate duplicates Z: 8 10.033 1.743 0.750 0.579 1.000 0.714 CB 1.152 10 residues pruned to eliminate duplicates Z: 73 49.896 2.158 0.739 0.617 0.944 0.528 CA 1.485 73 residues pruned to eliminate duplicates Z: 18 11.505 1.913 0.555 0.346 0.882 0.471 CA 1.257 16 residues pruned to eliminate duplicates Z: 21 15.120 1.944 0.487 0.556 0.900 0.700 CA 1.231 21 residues pruned to eliminate duplicates Z: 35 36.942 2.115 0.723 0.661 0.941 0.853 CB 1.590 33 residues pruned to eliminate duplicates Z: 34 26.399 2.061 0.624 0.470 0.939 0.636 CA 1.506 35 residues pruned to eliminate duplicates Z: 39 32.188 2.062 0.482 0.634 0.947 0.658 CB 1.590 45 residues pruned to eliminate duplicates Z: 13 9.249 1.789 0.304 0.485 0.917 0.583 CB 1.267 Z: 32 18.141 1.997 0.550 0.512 0.806 0.581 CB 1.289 32 residues pruned to eliminate duplicates Z: 6 4.149 1.481 0.373 0.478 1.000 0.800 CB 0.933 4 residues pruned to eliminate duplicates Z: 6 2.446 1.723 -0.364 0.514 1.000 0.600 CB 0.984 Z: 10 5.843 1.727 0.493 0.312 0.778 0.556 N 1.196 10 residues pruned to eliminate duplicates Z: 7 7.915 1.746 0.337 0.576 0.833 0.833 O 1.544 7 residues pruned to eliminate duplicates Z: 12 14.690 1.932 0.424 0.775 1.000 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 9 14.903 1.844 0.606 0.777 0.875 0.875 CA 1.592 9 residues pruned to eliminate duplicates Z: 9 12.547 1.734 0.220 0.837 1.000 0.875 N 1.568 9 residues pruned to eliminate duplicates Z: 6 5.171 1.800 -0.335 0.804 1.000 0.800 CB 1.482 Z: 7 8.599 2.075 0.183 0.640 1.000 0.667 CA 1.255 7 residues pruned to eliminate duplicates Z: 8 3.856 1.519 0.103 0.441 1.000 0.571 CB 0.925 Z: 16 14.948 2.142 0.419 0.457 0.867 0.600 CA 1.532 16 residues pruned to eliminate duplicates Z: 7 4.377 1.505 0.334 0.534 0.833 0.500 CA 1.033 7 residues pruned to eliminate duplicates Z: 24 12.484 1.993 0.546 0.467 0.739 0.609 CB 1.182 24 residues pruned to eliminate duplicates Z: 21 29.214 1.912 1.127 0.865 0.850 0.650 CB 1.385 21 residues pruned to eliminate duplicates Z: 9 16.146 2.079 0.747 0.743 1.000 0.750 CB 1.264 9 residues pruned to eliminate duplicates Z: 22 31.034 2.014 0.808 0.902 1.000 0.524 CB 1.326 22 residues pruned to eliminate duplicates Z: 14 8.787 1.768 0.305 0.346 0.923 0.385 CB 1.353 14 residues pruned to eliminate duplicates Z: 11 6.790 1.865 0.333 0.416 0.700 0.400 CA 1.348 Z: 34 16.066 2.020 0.419 0.374 0.788 0.455 CB 1.417 34 residues pruned to eliminate duplicates Z: 11 21.481 1.921 1.097 0.615 1.000 0.900 CB 1.513 13 residues pruned to eliminate duplicates Z: 36 17.357 1.964 0.634 0.386 0.857 0.571 CB 1.204 36 residues pruned to eliminate duplicates Z: 10 10.671 1.923 0.539 0.628 0.889 0.778 CB 1.199 10 residues pruned to eliminate duplicates Z: 22 31.701 2.025 0.562 0.933 1.000 0.952 CB 1.526 22 residues pruned to eliminate duplicates Z: 7 2.966 1.717 -0.084 0.665 0.667 0.333 CB 0.992 7 residues pruned to eliminate duplicates Z: 7 4.554 1.761 0.019 0.504 1.000 0.333 N 1.032 Z: 11 6.903 1.798 0.306 0.572 0.900 0.600 CB 0.963 11 residues pruned to eliminate duplicates Z: 12 15.595 1.886 0.948 0.562 0.909 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 27 32.239 2.140 0.860 0.716 1.000 0.654 CA 1.306 27 residues pruned to eliminate duplicates Z: 13 9.611 1.857 0.445 0.523 0.750 0.667 CA 1.348 14 residues pruned to eliminate duplicates Z: 23 30.271 2.180 0.499 0.884 0.909 0.818 CB 1.569 23 residues pruned to eliminate duplicates Z: 35 16.475 2.040 0.492 0.423 0.765 0.529 CB 1.316 35 residues pruned to eliminate duplicates Z: 11 11.462 1.744 0.334 0.852 1.000 0.900 CA 1.152 11 residues pruned to eliminate duplicates Z: 48 26.821 1.989 0.512 0.470 0.894 0.574 CB 1.501 51 residues pruned to eliminate duplicates Z: 46 32.154 2.001 0.600 0.643 0.956 0.644 CA 1.371 46 residues pruned to eliminate duplicates Z: 36 16.349 2.043 0.414 0.317 0.771 0.486 CB 1.519 36 residues pruned to eliminate duplicates Z: 7 2.260 1.680 0.197 0.183 0.500 0.333 CA 1.345 7 residues pruned to eliminate duplicates Z: 10 2.980 1.474 0.072 0.296 0.667 0.556 CA 1.185 10 residues pruned to eliminate duplicates Z: 17 7.348 1.720 0.484 0.348 0.750 0.562 CB 1.132 15 residues pruned to eliminate duplicates Z: 37 17.795 1.885 0.592 0.388 0.917 0.500 CB 1.214 37 residues pruned to eliminate duplicates Z: 8 2.632 1.762 -0.188 0.415 0.714 0.429 CB 1.063 6 1.871 1.606 -0.220 0.597 0.600 0.400 CB 1.015 ? Z: 22 10.626 1.863 0.152 0.374 0.905 0.667 CB 1.367 22 residues pruned to eliminate duplicates Z: 8 5.557 1.644 0.798 0.628 1.000 0.857 CB 0.630 Z: 20 14.293 1.880 0.454 0.509 0.895 0.526 CB 1.329 20 residues pruned to eliminate duplicates Z: 7 4.746 1.616 0.833 0.502 0.833 0.500 CA 0.784 5 residues pruned to eliminate duplicates Z: 8 3.230 1.915 0.455 0.191 0.571 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 14 14.253 1.647 0.899 0.496 0.923 0.692 CB 1.375 14 residues pruned to eliminate duplicates Z: 9 10.648 2.002 0.448 0.551 1.000 0.625 CB 1.235 9 residues pruned to eliminate duplicates Z: 10 8.757 1.903 0.394 0.655 1.000 0.889 CA 0.953 10 residues pruned to eliminate duplicates Z: 8 8.908 1.616 0.547 0.758 1.000 0.857 CA 1.070 8 residues pruned to eliminate duplicates Z: 20 24.289 2.157 0.282 0.900 1.000 0.842 CB 1.439 20 residues pruned to eliminate duplicates Z: 35 17.939 1.979 0.374 0.386 0.882 0.471 CA 1.448 35 residues pruned to eliminate duplicates Z: 10 10.521 2.030 0.167 0.783 0.778 0.444 CB 1.483 10 residues pruned to eliminate duplicates Z: 12 13.638 1.827 0.569 0.801 0.909 0.636 CB 1.213 11 residues pruned to eliminate duplicates Z: 11 5.184 1.567 0.171 0.352 0.800 0.500 CB 1.310 11 residues pruned to eliminate duplicates Z: 17 10.141 1.713 0.374 0.509 0.875 0.688 CA 1.221 17 residues pruned to eliminate duplicates Z: 12 15.051 1.861 0.738 0.858 1.000 0.727 CA 1.033 12 residues pruned to eliminate duplicates Z: 9 3.678 1.863 0.181 0.410 0.750 0.375 CB 0.866 9 residues pruned to eliminate duplicates Z: 7 6.387 1.649 -0.055 0.767 1.000 0.833 CA 1.321 7 residues pruned to eliminate duplicates Z: 6 4.665 1.839 -0.400 0.724 1.000 0.600 C 1.545 6 residues pruned to eliminate duplicates Z: 8 11.658 1.617 0.682 0.882 1.000 1.000 CA 1.172 8 residues pruned to eliminate duplicates Z: 8 5.731 2.035 0.087 0.491 0.714 0.714 CB 1.383 8 residues pruned to eliminate duplicates Z: 27 23.597 2.056 0.730 0.508 0.923 0.615 CB 1.399 27 residues pruned to eliminate duplicates Z: 6 7.182 1.626 0.342 0.774 1.000 0.800 N 1.156 6 residues pruned to eliminate duplicates Z: 11 8.965 1.777 0.639 0.509 0.900 0.600 CB 1.072 10 residues pruned to eliminate duplicates Z: 16 29.709 2.128 0.652 0.887 1.000 0.867 CB 1.573 16 residues pruned to eliminate duplicates Z: 13 11.547 2.016 0.656 0.456 0.750 0.417 CB 1.394 13 residues pruned to eliminate duplicates Z: 7 7.635 1.678 0.345 0.734 1.000 0.833 CA 1.119 Z: 6 2.078 1.192 0.660 0.360 0.600 0.400 N 0.910 Z: 27 17.435 1.967 0.617 0.391 0.962 0.538 CB 1.255 27 residues pruned to eliminate duplicates Z: 40 16.156 1.949 0.468 0.370 0.923 0.564 CB 1.126 40 residues pruned to eliminate duplicates Z: 6 9.972 1.813 0.943 0.802 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 11 7.897 1.657 0.788 0.412 0.900 0.600 CA 1.027 Z: 12 8.806 1.799 0.549 0.515 0.818 0.727 CB 1.147 12 residues pruned to eliminate duplicates Z: 32 22.061 2.031 0.633 0.491 0.935 0.548 CB 1.288 32 residues pruned to eliminate duplicates Z: 7 7.134 1.516 0.643 0.742 1.000 0.667 CB 0.941 8 residues pruned to eliminate duplicates Z: 19 7.452 1.789 0.269 0.350 0.833 0.500 CB 1.092 18 residues pruned to eliminate duplicates Z: 8 6.631 1.889 0.465 0.476 0.714 0.571 CA 1.299 6 residues pruned to eliminate duplicates 6 1.828 1.635 -0.232 0.486 0.800 0.600 C 0.825 ? Z: 32 41.103 2.103 1.022 0.743 0.968 0.710 CA 1.444 32 residues pruned to eliminate duplicates Z: 7 3.150 1.476 0.522 0.356 0.667 0.500 N 1.003 Z: 8 4.603 1.791 0.542 0.165 0.857 0.571 CB 1.105 8 residues pruned to eliminate duplicates Z: 33 22.430 2.102 0.491 0.475 0.906 0.625 CB 1.432 34 residues pruned to eliminate duplicates Z: 13 7.820 1.863 0.247 0.354 0.917 0.667 CB 1.241 13 residues pruned to eliminate duplicates Z: 11 9.966 2.100 0.328 0.451 0.800 0.600 CB 1.486 11 residues pruned to eliminate duplicates Z: 36 14.896 2.017 0.422 0.319 0.771 0.457 CB 1.389 36 residues pruned to eliminate duplicates Z: 8 11.635 1.844 0.698 0.823 1.000 0.571 CA 1.061 8 residues pruned to eliminate duplicates Z: 22 19.575 2.034 0.547 0.603 0.905 0.714 CB 1.361 22 residues pruned to eliminate duplicates Z: 6 5.226 1.862 0.691 0.298 0.800 0.800 CB 1.163 7 residues pruned to eliminate duplicates Z: 9 7.369 1.919 0.293 0.536 0.875 0.500 CA 1.158 9 residues pruned to eliminate duplicates Z: 8 10.913 1.826 1.107 0.474 0.857 0.429 CB 1.284 8 residues pruned to eliminate duplicates Z: 29 16.147 1.974 0.358 0.381 0.893 0.464 CA 1.447 29 residues pruned to eliminate duplicates Z: 20 7.846 1.564 0.518 0.274 0.789 0.526 CB 1.240 19 residues pruned to eliminate duplicates Z: 23 42.316 2.006 1.094 0.927 1.000 0.773 CB 1.506 23 residues pruned to eliminate duplicates Z: 19 11.005 1.802 0.301 0.557 0.944 0.500 CB 1.108 18 residues pruned to eliminate duplicates Z: 24 12.857 1.991 0.248 0.412 0.957 0.696 CB 1.236 24 residues pruned to eliminate duplicates Z: 13 9.344 1.659 0.446 0.395 1.000 0.417 CA 1.256 13 residues pruned to eliminate duplicates Z: 7 4.302 1.638 0.135 0.488 0.833 0.667 CB 1.147 7 residues pruned to eliminate duplicates Z: 33 26.625 2.006 0.582 0.631 0.906 0.781 CB 1.448 33 residues pruned to eliminate duplicates Z: 47 19.626 1.943 0.498 0.391 0.826 0.500 CB 1.350 47 residues pruned to eliminate duplicates Z: 11 17.036 2.026 0.880 0.693 0.900 0.600 CB 1.317 11 residues pruned to eliminate duplicates Z: 10 13.474 1.952 0.498 0.751 0.889 0.778 CA 1.382 16 residues pruned to eliminate duplicates Z: 22 14.714 1.938 0.379 0.459 0.905 0.476 CA 1.385 22 residues pruned to eliminate duplicates Z: 12 10.740 2.008 0.290 0.448 0.909 0.636 CA 1.451 12 residues pruned to eliminate duplicates Z: 18 14.718 1.863 0.698 0.448 0.941 0.647 CB 1.265 18 residues pruned to eliminate duplicates Z: 20 15.607 2.068 0.717 0.280 0.895 0.526 CA 1.445 20 residues pruned to eliminate duplicates Z: 6 4.358 1.628 -0.279 0.852 1.000 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 7 9.019 1.950 0.691 0.630 0.833 0.667 CB 1.186 7 residues pruned to eliminate duplicates Z: 24 9.899 1.849 0.624 0.346 0.826 0.435 CB 0.984 24 residues pruned to eliminate duplicates Z: 10 14.838 2.104 0.548 0.876 1.000 0.889 CB 1.104 10 residues pruned to eliminate duplicates Z: 16 10.861 1.841 0.702 0.318 0.800 0.400 CA 1.368 16 residues pruned to eliminate duplicates Z: 6 6.974 1.909 0.365 0.269 1.000 0.600 CB 1.557 6 residues pruned to eliminate duplicates Z: 6 7.787 1.611 0.684 0.795 1.000 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 6 3.464 1.627 0.262 0.680 0.600 0.600 CA 1.065 6 residues pruned to eliminate duplicates Z: 11 3.587 1.456 0.452 0.336 0.800 0.500 CB 0.802 Z: 7 3.994 1.483 0.157 0.529 0.833 0.667 CB 1.108 Z: 36 18.469 1.987 0.542 0.355 0.829 0.400 CB 1.439 36 residues pruned to eliminate duplicates Z: 20 32.133 2.057 0.875 0.925 0.947 0.579 CA 1.416 20 residues pruned to eliminate duplicates Z: 39 31.271 1.933 0.681 0.637 0.974 0.711 CB 1.410 39 residues pruned to eliminate duplicates Z: 26 31.081 2.141 0.656 0.774 0.920 0.880 CA 1.496 26 residues pruned to eliminate duplicates Z: 28 12.685 1.956 0.156 0.405 0.926 0.667 CB 1.288 28 residues pruned to eliminate duplicates Z: 10 6.550 1.824 0.397 0.462 0.889 0.778 CB 1.002 10 residues pruned to eliminate duplicates Z: 16 16.850 1.936 0.340 0.899 1.000 0.867 CA 1.198 16 residues pruned to eliminate duplicates Z: 10 14.189 1.916 0.550 0.648 1.000 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 6 4.104 1.566 0.300 0.381 0.800 0.800 O 1.279 Z: 11 6.510 1.863 0.416 0.467 0.800 0.700 CA 1.009 11 residues pruned to eliminate duplicates 6 1.658 1.487 -0.191 0.354 0.800 0.600 CB 0.903 ? Z: 41 36.368 2.065 0.671 0.702 0.975 0.625 CA 1.423 41 residues pruned to eliminate duplicates 6 1.611 1.422 -0.188 0.373 1.000 0.600 CB 0.715 ? Z: 10 11.581 1.710 0.868 0.776 0.778 0.667 CA 1.217 10 residues pruned to eliminate duplicates Z: 19 22.661 1.919 1.088 0.619 0.944 0.500 CB 1.261 19 residues pruned to eliminate duplicates Z: 19 6.953 1.590 0.337 0.411 0.944 0.444 CB 0.897 10 residues pruned to eliminate duplicates Z: 7 4.323 1.560 0.416 0.385 0.833 0.500 CB 1.083 Z: 16 7.014 1.691 0.482 0.353 0.733 0.467 N 1.155 13 residues pruned to eliminate duplicates Z: 6 5.698 1.798 0.307 0.478 0.800 0.400 CB 1.386 6 residues pruned to eliminate duplicates Z: 21 27.509 2.190 0.423 0.896 1.000 0.750 CB 1.414 21 residues pruned to eliminate duplicates Z: 20 28.787 1.984 0.796 0.884 0.947 0.474 CA 1.414 20 residues pruned to eliminate duplicates 7 1.465 1.281 0.544 0.249 0.667 0.333 CB 0.606 ? Z: 8 6.893 1.943 0.521 0.644 1.000 0.714 CB 0.771 8 residues pruned to eliminate duplicates Z: 22 11.051 1.866 0.380 0.409 0.905 0.619 CB 1.139 22 residues pruned to eliminate duplicates Z: 13 9.159 1.782 0.641 0.286 0.833 0.417 CB 1.380 13 residues pruned to eliminate duplicates Z: 8 4.764 1.740 0.013 0.750 0.857 0.714 CB 0.953 8 residues pruned to eliminate duplicates 7 1.906 1.338 0.478 0.411 0.500 0.333 N 0.864 ? Z: 6 4.142 1.446 0.404 0.675 0.800 0.400 CB 0.971 Z: 41 30.336 2.014 0.541 0.677 0.975 0.675 CA 1.347 41 residues pruned to eliminate duplicates Z: 8 6.588 1.848 0.016 0.585 1.000 0.714 CA 1.223 8 residues pruned to eliminate duplicates Z: 18 21.194 2.171 0.349 0.885 0.941 0.647 CB 1.346 18 residues pruned to eliminate duplicates Z: 10 3.688 1.678 0.079 0.342 0.889 0.333 CB 0.907 Z: 7 3.136 1.578 0.091 0.458 0.833 0.667 CB 0.932 8 1.949 1.538 -0.015 0.382 1.000 0.429 CB 0.551 ? Z: 6 5.616 1.632 0.803 0.613 0.800 0.200 CA 0.958 6 residues pruned to eliminate duplicates Z: 9 3.699 1.517 0.223 0.462 0.625 0.375 CB 1.172 9 residues pruned to eliminate duplicates Z: 18 8.608 1.709 0.450 0.402 0.824 0.471 CB 1.135 18 residues pruned to eliminate duplicates Z: 10 9.358 1.775 0.606 0.544 0.889 0.556 CB 1.180 8 residues pruned to eliminate duplicates Z: 12 11.747 1.867 0.841 0.479 0.818 0.818 N 1.287 16 residues pruned to eliminate duplicates Z: 11 6.873 1.689 0.364 0.447 0.800 0.700 CA 1.246 11 residues pruned to eliminate duplicates Z: 9 5.270 1.220 0.785 0.712 0.750 0.625 N 0.942 Z: 18 32.579 2.077 1.010 0.938 1.000 0.588 CA 1.316 18 residues pruned to eliminate duplicates Z: 58 23.727 1.993 0.540 0.426 0.842 0.526 CB 1.313 58 residues pruned to eliminate duplicates Z: 6 5.169 1.744 0.378 0.557 0.800 0.400 N 1.138 6 residues pruned to eliminate duplicates Z: 24 18.653 1.967 0.599 0.558 0.826 0.609 CB 1.415 25 residues pruned to eliminate duplicates Z: 21 16.651 1.969 0.556 0.463 0.900 0.650 CB 1.402 23 residues pruned to eliminate duplicates Z: 6 4.020 1.472 0.398 0.298 1.000 0.800 CA 1.095 Z: 11 18.436 2.108 0.551 0.868 1.000 0.800 CB 1.303 11 residues pruned to eliminate duplicates Z: 6 4.285 1.860 0.494 0.466 0.800 0.200 CB 0.892 6 residues pruned to eliminate duplicates Z: 11 7.784 1.684 0.802 0.542 0.900 0.600 CB 0.865 10 residues pruned to eliminate duplicates Z: 29 9.907 1.843 0.210 0.314 0.857 0.571 CB 1.204 11 residues pruned to eliminate duplicates Z: 6 2.850 1.699 0.907 0.278 0.600 0.200 N 0.842 6 residues pruned to eliminate duplicates Z: 56 20.731 2.030 0.487 0.350 0.818 0.509 CB 1.331 56 residues pruned to eliminate duplicates Z: 10 5.598 1.568 0.337 0.437 0.778 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 12 4.736 1.773 0.191 0.412 0.909 0.545 CB 0.816 12 residues pruned to eliminate duplicates Z: 43 30.781 2.105 0.714 0.498 0.905 0.714 CB 1.459 43 residues pruned to eliminate duplicates Z: 6 2.803 1.612 -0.132 0.478 0.800 0.600 C 1.146 Z: 10 6.703 1.715 0.451 0.522 0.778 0.667 CB 1.130 9 residues pruned to eliminate duplicates Z: 26 15.807 1.893 0.534 0.411 0.800 0.400 CB 1.494 26 residues pruned to eliminate duplicates Z: 31 29.333 2.033 0.585 0.703 0.933 0.800 CA 1.480 31 residues pruned to eliminate duplicates Z: 9 9.114 1.840 0.430 0.622 0.875 0.625 CB 1.247 9 residues pruned to eliminate duplicates Z: 16 11.926 1.923 0.589 0.492 0.800 0.533 CA 1.269 16 residues pruned to eliminate duplicates Z: 46 37.469 2.093 0.609 0.658 0.956 0.556 CA 1.500 46 residues pruned to eliminate duplicates Z: 6 4.628 1.348 0.721 0.626 0.800 0.800 CB 0.991 Z: 29 16.881 1.903 0.567 0.408 0.857 0.607 CB 1.375 29 residues pruned to eliminate duplicates Z: 7 2.160 1.462 0.160 0.274 0.667 0.333 O 1.007 Z: 6 2.774 1.441 0.200 0.454 0.600 0.400 O 1.255 Z: 13 10.694 2.048 0.638 0.274 0.833 0.500 CA 1.427 13 residues pruned to eliminate duplicates Z: 30 11.612 1.695 0.548 0.331 0.897 0.414 CA 1.103 23 residues pruned to eliminate duplicates Z: 10 13.657 1.657 0.749 0.769 0.889 0.778 CA 1.392 10 residues pruned to eliminate duplicates Z: 19 9.907 1.899 0.328 0.285 0.889 0.556 CB 1.327 19 residues pruned to eliminate duplicates Z: 29 14.456 1.931 0.211 0.412 1.000 0.643 CB 1.280 22 residues pruned to eliminate duplicates Z: 15 13.010 1.798 0.801 0.566 0.929 0.714 CB 1.084 23 residues pruned to eliminate duplicates Z: 37 16.486 1.934 0.381 0.424 0.861 0.583 CB 1.293 37 residues pruned to eliminate duplicates Z: 43 37.553 2.111 0.702 0.622 1.000 0.738 CA 1.437 43 residues pruned to eliminate duplicates Z: 36 13.814 1.857 0.415 0.312 0.857 0.486 CA 1.277 36 residues pruned to eliminate duplicates Z: 17 14.194 1.999 0.330 0.552 0.938 0.688 CA 1.353 17 residues pruned to eliminate duplicates Z: 9 3.192 1.604 0.477 0.233 0.750 0.250 CB 0.867 9 residues pruned to eliminate duplicates Z: 7 6.981 1.930 0.113 0.417 1.000 0.667 CB 1.447 7 residues pruned to eliminate duplicates Z: 15 12.190 1.921 0.658 0.395 0.929 0.571 CA 1.231 14 residues pruned to eliminate duplicates Z: 6 8.376 1.943 1.183 0.596 0.800 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 15 13.686 2.011 0.812 0.288 0.929 0.429 CB 1.373 15 residues pruned to eliminate duplicates Z: 11 6.317 1.800 0.285 0.293 0.800 0.500 CB 1.362 11 residues pruned to eliminate duplicates Z: 32 10.823 1.824 0.295 0.285 0.871 0.516 CB 1.204 32 residues pruned to eliminate duplicates Z: 8 3.123 1.501 0.193 0.403 0.857 0.429 N 0.852 6 residues pruned to eliminate duplicates Z: 27 18.111 1.995 0.754 0.357 0.846 0.423 CB 1.399 27 residues pruned to eliminate duplicates Z: 16 16.129 1.934 0.709 0.574 0.933 0.667 CB 1.257 17 residues pruned to eliminate duplicates Z: 7 2.256 1.654 -0.403 0.427 0.833 0.500 CB 1.207 5 residues pruned to eliminate duplicates Z: 11 15.265 1.893 0.833 0.837 0.800 0.700 CA 1.301 11 residues pruned to eliminate duplicates Z: 13 10.333 1.893 0.187 0.527 0.917 0.750 CB 1.410 13 residues pruned to eliminate duplicates Z: 6 2.988 1.546 0.177 0.297 0.800 0.400 O 1.151 Z: 16 7.675 1.517 0.608 0.393 0.733 0.467 C 1.241 27 residues pruned to eliminate duplicates Z: 29 14.612 1.911 0.327 0.426 0.893 0.607 CA 1.318 28 residues pruned to eliminate duplicates Z: 14 11.774 1.915 0.704 0.380 0.846 0.538 CB 1.345 14 residues pruned to eliminate duplicates Z: 6 2.250 1.169 0.597 0.434 1.000 0.600 CA 0.577 Z: 8 4.575 1.673 0.074 0.400 0.857 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 17 9.435 1.748 0.467 0.413 0.812 0.688 CA 1.240 17 residues pruned to eliminate duplicates Z: 9 5.879 1.682 0.393 0.604 0.875 0.625 CB 0.918 Z: 31 11.390 1.682 0.597 0.344 0.833 0.533 CB 1.100 31 residues pruned to eliminate duplicates Z: 9 5.834 1.590 0.691 0.519 0.875 0.625 CA 0.861 9 residues pruned to eliminate duplicates Z: 6 4.675 1.594 0.219 0.490 0.800 0.600 N 1.359 7 residues pruned to eliminate duplicates Z: 12 7.911 1.834 0.599 0.422 0.818 0.636 CB 1.078 12 residues pruned to eliminate duplicates Z: 7 4.868 1.542 0.843 0.250 0.833 0.333 CA 1.120 8 residues pruned to eliminate duplicates Z: 7 5.263 1.673 -0.082 0.672 1.000 0.667 C 1.194 Z: 45 18.549 1.909 0.547 0.360 0.886 0.477 CB 1.242 10 residues pruned to eliminate duplicates Z: 8 2.375 1.407 0.260 0.285 0.857 0.571 CB 0.753 Z: 16 17.248 1.938 0.448 0.496 1.000 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 7 3.670 1.454 0.210 0.544 0.833 0.667 CB 0.979 7 residues pruned to eliminate duplicates Z: 10 12.871 1.745 0.442 0.861 0.889 0.556 CA 1.409 10 residues pruned to eliminate duplicates Z: 33 14.477 1.854 0.355 0.410 0.844 0.500 CB 1.327 33 residues pruned to eliminate duplicates Z: 10 5.862 1.688 0.332 0.456 0.778 0.667 CA 1.169 10 residues pruned to eliminate duplicates Z: 15 10.920 1.795 0.193 0.614 0.929 0.643 CA 1.317 15 residues pruned to eliminate duplicates Z: 10 10.704 1.933 0.670 0.540 0.778 0.778 CB 1.367 9 residues pruned to eliminate duplicates Z: 25 15.160 1.887 0.412 0.558 0.833 0.458 CA 1.318 25 residues pruned to eliminate duplicates Z: 36 21.283 1.965 0.420 0.468 0.914 0.629 CB 1.457 36 residues pruned to eliminate duplicates 6 1.882 1.519 0.487 0.293 0.600 0.400 CB 0.784 ? Z: 28 18.426 1.896 0.660 0.522 0.889 0.519 CB 1.240 28 residues pruned to eliminate duplicates Z: 21 23.408 2.174 0.239 0.932 1.000 0.800 CB 1.357 21 residues pruned to eliminate duplicates Z: 6 2.596 1.691 0.167 0.277 0.800 0.400 CB 0.946 6 residues pruned to eliminate duplicates Z: 12 4.379 1.334 0.969 0.215 0.727 0.273 CA 0.966 Z: 11 2.838 1.383 0.364 0.232 0.800 0.200 N 0.812 Z: 6 4.804 1.419 0.529 0.617 0.800 0.800 CA 1.107 4 residues pruned to eliminate duplicates Z: 12 6.154 1.767 0.748 0.299 0.818 0.455 CB 0.918 12 residues pruned to eliminate duplicates Z: 12 7.301 1.763 0.446 0.388 0.909 0.727 CA 1.070 12 residues pruned to eliminate duplicates Z: 16 13.872 1.809 0.605 0.428 1.000 0.467 CA 1.329 10 residues pruned to eliminate duplicates Z: 6 3.709 1.554 0.484 0.489 0.600 0.600 CB 1.212 Z: 20 21.871 1.945 0.501 0.856 0.895 0.789 CA 1.417 20 residues pruned to eliminate duplicates Z: 30 15.668 2.029 0.552 0.396 0.759 0.483 CB 1.359 30 residues pruned to eliminate duplicates Z: 21 49.657 2.294 1.005 0.939 1.000 0.700 CB 1.677 21 residues pruned to eliminate duplicates Z: 25 22.871 1.985 0.814 0.543 0.917 0.542 CA 1.356 25 residues pruned to eliminate duplicates Z: 35 22.728 1.979 0.490 0.488 0.941 0.588 CB 1.422 35 residues pruned to eliminate duplicates Z: 17 20.220 1.917 0.587 0.650 0.938 0.875 CA 1.541 17 residues pruned to eliminate duplicates Z: 8 8.023 1.592 0.515 0.857 0.714 0.571 CA 1.297 8 residues pruned to eliminate duplicates Z: 7 2.939 1.497 0.110 0.455 1.000 0.667 C 0.756 4 residues pruned to eliminate duplicates Z: 21 32.307 2.165 0.632 0.940 1.000 0.750 CB 1.420 21 residues pruned to eliminate duplicates Z: 20 18.936 1.957 0.621 0.915 0.842 0.421 CA 1.149 20 residues pruned to eliminate duplicates Z: 14 4.419 1.732 0.475 0.214 0.615 0.231 CA 1.092 14 residues pruned to eliminate duplicates Z: 10 11.815 1.887 0.908 0.471 0.778 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 7 3.955 1.520 0.780 0.436 0.833 0.667 CB 0.765 Z: 11 8.220 1.607 0.614 0.305 0.900 0.400 N 1.383 11 residues pruned to eliminate duplicates Z: 17 9.267 2.149 0.502 0.275 0.750 0.375 CB 1.235 17 residues pruned to eliminate duplicates Z: 6 2.157 1.496 0.196 0.547 0.800 0.600 CB 0.644 Z: 63 50.349 2.207 0.851 0.612 0.952 0.581 CA 1.479 63 residues pruned to eliminate duplicates Z: 12 9.619 1.908 0.573 0.212 0.909 0.364 CA 1.493 12 residues pruned to eliminate duplicates Z: 13 4.417 1.604 0.518 0.251 0.667 0.417 CB 1.045 13 residues pruned to eliminate duplicates Z: 14 6.391 1.755 0.434 0.290 0.769 0.385 CB 1.160 14 residues pruned to eliminate duplicates Z: 7 10.496 1.761 0.827 0.690 0.833 0.667 CA 1.343 7 residues pruned to eliminate duplicates Z: 42 16.459 1.904 0.610 0.370 0.854 0.561 CB 1.129 42 residues pruned to eliminate duplicates Z: 21 13.097 1.752 0.586 0.483 0.900 0.500 CA 1.191 20 residues pruned to eliminate duplicates Z: 7 2.392 1.242 0.111 0.593 0.667 0.500 CA 0.971 Z: 10 3.191 1.525 -0.056 0.307 0.778 0.556 CB 1.178 Z: 6 4.233 1.391 0.757 0.385 0.800 0.600 N 1.094 Z: 10 14.809 1.858 0.685 0.821 1.000 0.222 CB 1.193 Z: 56 37.590 2.041 0.586 0.653 0.927 0.636 CA 1.465 56 residues pruned to eliminate duplicates Z: 14 10.773 1.941 0.450 0.391 1.000 0.615 CB 1.192 12 residues pruned to eliminate duplicates Z: 12 7.103 2.012 0.159 0.440 0.818 0.455 CB 1.194 12 residues pruned to eliminate duplicates Z: 44 36.380 2.020 0.901 0.579 0.930 0.465 CB 1.439 39 residues pruned to eliminate duplicates Z: 49 37.088 2.137 0.733 0.508 0.917 0.604 CB 1.564 49 residues pruned to eliminate duplicates Z: 8 7.307 1.555 0.333 0.828 0.857 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 10 7.028 2.023 0.387 0.411 0.667 0.333 CB 1.375 10 residues pruned to eliminate duplicates 6 1.032 1.564 0.015 0.235 0.800 0.600 CB 0.494 ? Z: 8 5.944 1.601 0.255 0.516 1.000 0.571 C 1.101 7 residues pruned to eliminate duplicates 11 1.830 1.393 0.582 0.052 0.500 0.200 CA 0.952 ? Z: 14 10.463 2.012 0.805 0.342 0.769 0.538 CB 1.233 14 residues pruned to eliminate duplicates Z: 8 7.825 1.748 0.268 0.681 0.857 0.714 CB 1.318 9 residues pruned to eliminate duplicates Z: 8 3.459 1.430 0.811 0.333 0.714 0.286 CB 0.849 Z: 33 33.656 2.071 0.652 0.731 0.969 0.812 CA 1.458 33 residues pruned to eliminate duplicates Z: 35 18.052 1.943 0.669 0.364 0.824 0.471 CB 1.342 35 residues pruned to eliminate duplicates Z: 9 2.975 1.511 0.358 0.302 0.750 0.500 CB 0.852 Z: 18 11.639 1.859 0.514 0.465 0.882 0.647 CB 1.178 17 residues pruned to eliminate duplicates Z: 11 9.513 1.780 0.234 0.815 0.700 0.300 CA 1.488 11 residues pruned to eliminate duplicates Z: 14 9.297 1.751 0.728 0.404 0.846 0.538 CA 1.115 14 residues pruned to eliminate duplicates Z: 7 5.023 1.162 0.419 0.873 1.000 0.833 CA 0.906 6 1.971 1.687 0.375 0.525 0.600 0.600 CB 0.618 ? Z: 14 4.884 1.591 0.506 0.262 0.769 0.615 CA 0.965 14 residues pruned to eliminate duplicates Z: 11 3.829 1.458 0.430 0.285 0.700 0.400 CB 1.057 Z: 6 4.083 1.683 0.002 0.556 0.800 0.600 CB 1.282 6 residues pruned to eliminate duplicates Z: 7 7.375 1.776 0.314 0.671 1.000 0.833 CB 1.103 7 residues pruned to eliminate duplicates Z: 11 8.640 1.613 0.679 0.400 0.900 0.500 CA 1.245 11 residues pruned to eliminate duplicates Z: 28 22.872 2.079 0.656 0.479 0.889 0.593 CB 1.469 28 residues pruned to eliminate duplicates Z: 10 4.196 1.580 0.115 0.363 0.778 0.222 N 1.183 9 residues pruned to eliminate duplicates Z: 21 17.962 2.099 0.073 0.910 1.000 0.800 CB 1.264 21 residues pruned to eliminate duplicates Z: 21 10.618 1.829 0.390 0.362 0.800 0.500 CB 1.354 21 residues pruned to eliminate duplicates Z: 14 9.095 1.756 0.470 0.284 0.923 0.462 CB 1.351 17 residues pruned to eliminate duplicates Z: 6 2.488 1.515 0.273 0.299 0.800 0.600 CB 0.903 Z: 6 5.276 1.845 0.310 0.326 1.000 0.400 CA 1.182 6 residues pruned to eliminate duplicates Z: 9 3.063 1.600 0.215 0.266 0.625 0.250 CB 1.164 Z: 7 2.785 1.220 0.570 0.246 1.000 0.500 O 0.796 Z: 28 14.682 1.862 0.257 0.536 0.926 0.667 CA 1.258 28 residues pruned to eliminate duplicates 6 1.424 1.096 0.771 0.296 0.600 0.400 N 0.688 ? Z: 9 8.806 1.693 0.547 0.657 0.875 0.625 CA 1.174 8 residues pruned to eliminate duplicates Z: 7 2.826 1.430 0.633 0.379 0.667 0.500 CB 0.842 Z: 16 9.081 1.964 0.753 0.190 0.800 0.533 CA 1.233 16 residues pruned to eliminate duplicates Z: 10 7.867 1.845 0.323 0.470 1.000 0.667 CB 1.108 9 residues pruned to eliminate duplicates 8 1.888 1.668 0.335 0.081 0.714 0.143 CB 0.772 ? Z: 16 8.441 1.837 0.044 0.419 1.000 0.533 CB 1.237 16 residues pruned to eliminate duplicates Z: 8 4.996 1.651 0.468 0.199 0.857 0.143 O 1.301 Z: 13 8.475 1.810 0.227 0.492 0.917 0.667 CB 1.211 13 residues pruned to eliminate duplicates Z: 7 7.806 1.586 0.134 0.861 1.000 0.833 C 1.302 7 residues pruned to eliminate duplicates 6 1.420 1.568 0.441 0.301 0.600 0.400 CB 0.585 ? Z: 15 12.789 1.872 0.399 0.508 0.929 0.714 CA 1.395 15 residues pruned to eliminate duplicates Z: 10 6.353 1.728 0.674 0.414 0.889 0.556 CB 0.902 10 residues pruned to eliminate duplicates Z: 6 4.199 1.677 0.075 0.607 1.000 0.800 CA 0.941 6 residues pruned to eliminate duplicates Z: 6 3.077 1.338 0.526 0.712 0.800 0.800 CA 0.696 7 residues pruned to eliminate duplicates Z: 7 4.584 1.656 0.325 0.427 0.833 0.500 CA 1.104 Z: 9 6.855 1.815 0.455 0.694 0.875 0.875 CB 0.879 8 residues pruned to eliminate duplicates Z: 6 3.163 1.631 0.404 0.348 0.600 0.600 CA 1.215 Z: 8 11.669 1.898 0.760 0.608 1.000 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 9 5.267 1.879 0.206 0.323 0.625 0.500 CB 1.598 9 residues pruned to eliminate duplicates Z: 27 19.374 1.931 0.637 0.477 0.923 0.731 CB 1.333 27 residues pruned to eliminate duplicates Z: 51 32.201 1.925 0.609 0.646 0.940 0.620 CB 1.364 34 residues pruned to eliminate duplicates Z: 6 2.209 1.464 0.294 0.363 0.800 0.400 N 0.756 6 residues pruned to eliminate duplicates Z: 24 13.975 1.819 0.314 0.458 0.913 0.609 CA 1.394 24 residues pruned to eliminate duplicates 6 1.578 1.251 0.413 0.543 0.800 0.400 CB 0.478 ? 6 0.496 1.100 0.723 0.414 0.600 0.400 CA 0.213 ? Z: 17 12.660 1.973 0.489 0.427 0.938 0.625 CB 1.241 17 residues pruned to eliminate duplicates Z: 16 11.922 1.926 0.849 0.349 0.800 0.533 CB 1.272 16 residues pruned to eliminate duplicates Z: 9 7.231 1.374 0.862 0.670 1.000 0.750 CA 0.855 Z: 25 11.767 1.959 0.505 0.326 0.750 0.458 CB 1.316 25 residues pruned to eliminate duplicates Z: 27 15.433 1.912 0.342 0.469 0.962 0.731 CB 1.266 26 residues pruned to eliminate duplicates Z: 17 13.417 2.095 0.469 0.352 0.875 0.500 CB 1.462 17 residues pruned to eliminate duplicates Z: 20 9.292 1.855 0.457 0.325 0.842 0.684 CB 1.136 20 residues pruned to eliminate duplicates 7 1.602 1.392 0.029 0.363 0.833 0.500 CB 0.635 ? Z: 19 16.345 1.946 0.583 0.415 1.000 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 11 10.514 1.794 0.457 0.719 0.900 0.600 CA 1.160 11 residues pruned to eliminate duplicates Z: 7 3.065 1.370 0.531 0.383 0.833 0.500 CB 0.811 Z: 18 6.928 1.597 0.666 0.426 0.824 0.412 CB 0.828 12 residues pruned to eliminate duplicates Z: 26 14.912 1.954 0.371 0.417 0.880 0.560 CB 1.380 26 residues pruned to eliminate duplicates Z: 15 9.145 1.813 0.630 0.348 0.857 0.500 CA 1.138 15 residues pruned to eliminate duplicates Z: 8 3.590 1.578 0.067 0.332 0.857 0.429 N 1.130 8 residues pruned to eliminate duplicates Z: 6 2.506 1.433 0.676 0.299 0.600 0.400 CA 0.972 Z: 7 4.536 1.665 0.499 0.442 0.667 0.333 CA 1.182 7 residues pruned to eliminate duplicates Z: 6 5.607 1.826 0.249 0.689 0.800 0.600 CB 1.156 6 residues pruned to eliminate duplicates Z: 7 3.645 1.297 0.620 0.321 1.000 0.500 CB 0.862 Z: 11 5.152 1.773 0.122 0.384 0.800 0.500 CA 1.158 11 residues pruned to eliminate duplicates Z: 15 6.115 1.712 0.519 0.300 0.786 0.357 CB 0.999 21 residues pruned to eliminate duplicates Z: 14 5.242 1.692 0.278 0.393 0.846 0.308 CB 0.890 14 residues pruned to eliminate duplicates Z: 7 5.277 1.533 0.329 0.522 0.833 0.667 N 1.241 7 residues pruned to eliminate duplicates Z: 7 3.882 1.672 0.509 0.735 0.833 0.333 CB 0.611 Z: 9 9.983 1.909 0.748 0.381 0.875 0.500 CA 1.372 6 1.886 1.354 -0.005 0.290 0.800 0.400 CB 0.991 ? Z: 7 2.143 1.502 -0.030 0.455 0.833 0.500 CB 0.755 Z: 14 5.268 1.718 0.556 0.370 0.615 0.385 CB 1.021 14 residues pruned to eliminate duplicates Z: 8 3.960 1.761 0.325 0.426 0.857 0.429 CB 0.809 8 residues pruned to eliminate duplicates Z: 7 2.328 1.455 -0.018 0.421 0.667 0.333 CB 1.083 Z: 9 6.824 1.541 0.636 0.767 1.000 0.750 CA 0.755 9 residues pruned to eliminate duplicates 6 1.761 1.358 0.014 0.291 0.800 0.600 CA 0.904 ? Z: 8 7.596 1.763 0.502 0.729 0.857 0.571 CB 1.030 8 residues pruned to eliminate duplicates Z: 36 34.274 2.042 0.741 0.641 0.971 0.857 CB 1.470 36 residues pruned to eliminate duplicates Z: 6 3.506 1.505 0.235 0.781 1.000 0.600 CB 0.658 6 residues pruned to eliminate duplicates Z: 12 10.041 1.747 0.591 0.500 1.000 0.545 CB 1.088 12 residues pruned to eliminate duplicates Z: 21 48.960 2.208 1.041 0.940 1.000 0.700 CA 1.687 21 residues pruned to eliminate duplicates 6 1.520 1.317 0.440 0.100 0.600 0.600 CA 0.996 ? Using tripeptides from previous cycle as seeds Z: 6 5.741 2.015 0.508 0.621 0.600 0.600 CB 1.256 6 residues pruned to eliminate duplicates Z: 8 6.247 1.628 0.805 0.533 0.714 0.429 CA 1.090 8 residues pruned to eliminate duplicates Z: 6 7.644 2.031 1.090 0.539 0.600 0.600 CB 1.291 6 residues pruned to eliminate duplicates Z: 6 4.191 1.539 0.657 0.483 1.000 0.600 CA 0.747 Z: 6 3.277 1.557 0.813 0.386 0.800 0.600 CB 0.733 6 residues pruned to eliminate duplicates Z: 12 14.211 1.898 0.658 0.470 1.000 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 11.656 1.893 0.885 0.409 0.833 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 13 12.042 1.890 0.896 0.428 0.833 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 12 18.032 1.936 1.050 0.491 0.909 0.545 CB 1.520 12 residues pruned to eliminate duplicates Z: 12 16.824 1.947 0.991 0.509 0.909 0.545 CB 1.427 12 residues pruned to eliminate duplicates Z: 16 14.372 1.772 0.824 0.414 0.867 0.533 CB 1.450 18 residues pruned to eliminate duplicates Z: 6 7.724 1.667 0.279 0.835 1.000 0.800 CB 1.214 6 residues pruned to eliminate duplicates Z: 10 9.246 1.733 0.465 0.513 1.000 0.333 CB 1.199 8 residues pruned to eliminate duplicates Z: 8 7.416 1.708 0.476 0.600 1.000 0.571 CB 1.011 8 residues pruned to eliminate duplicates Z: 12 8.765 1.756 0.660 0.345 0.909 0.455 CB 1.180 12 residues pruned to eliminate duplicates Z: 10 7.514 1.930 0.550 0.302 1.000 0.556 CB 1.044 10 residues pruned to eliminate duplicates Z: 12 6.055 1.824 0.537 0.279 0.909 0.636 CB 0.919 12 residues pruned to eliminate duplicates Z: 8 11.898 1.826 0.831 0.448 1.000 0.429 N 1.419 10 residues pruned to eliminate duplicates Z: 6 5.543 1.688 0.313 0.456 1.000 0.000 CA 1.170 6 residues pruned to eliminate duplicates Z: 11 8.460 1.695 0.919 0.332 0.700 0.400 N 1.413 8 residues pruned to eliminate duplicates Z: 11 8.838 1.694 0.821 0.344 0.800 0.400 N 1.342 11 residues pruned to eliminate duplicates Z: 12 8.548 1.601 0.788 0.360 0.818 0.455 N 1.280 11 residues pruned to eliminate duplicates Z: 10 6.751 1.748 0.712 0.312 0.778 0.556 N 1.190 10 residues pruned to eliminate duplicates Z: 15 9.036 1.847 0.500 0.385 0.857 0.500 CB 1.149 15 residues pruned to eliminate duplicates Z: 15 7.335 1.861 0.501 0.354 0.643 0.357 CB 1.278 15 residues pruned to eliminate duplicates Z: 14 10.133 1.886 0.596 0.340 0.846 0.462 CB 1.313 14 residues pruned to eliminate duplicates Z: 16 8.537 1.792 0.356 0.396 0.867 0.600 CA 1.168 16 residues pruned to eliminate duplicates Z: 6 9.643 1.964 0.575 0.648 1.000 0.600 CB 1.214 6 residues pruned to eliminate duplicates Z: 16 8.766 1.798 0.409 0.350 0.867 0.467 CB 1.212 16 residues pruned to eliminate duplicates Z: 14 7.973 1.852 0.424 0.371 0.846 0.308 CB 1.137 14 residues pruned to eliminate duplicates Z: 16 12.119 1.825 0.671 0.403 1.000 0.533 CB 1.137 14 residues pruned to eliminate duplicates 6 1.414 1.288 1.108 0.359 1.000 0.800 CB 0.271 ? Z: 12 11.539 1.788 0.344 0.759 0.909 0.727 CA 1.265 12 residues pruned to eliminate duplicates Z: 13 9.018 1.841 0.517 0.545 0.750 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 22 12.377 1.803 0.674 0.545 0.810 0.429 CB 1.058 22 residues pruned to eliminate duplicates Z: 12 10.008 1.922 0.422 0.644 0.727 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 10 10.874 1.984 0.358 0.731 0.778 0.444 CA 1.405 10 residues pruned to eliminate duplicates Z: 10 9.722 1.957 0.414 0.699 0.778 0.556 CA 1.256 10 residues pruned to eliminate duplicates Z: 33 28.370 2.068 0.656 0.524 1.000 0.562 CB 1.431 34 residues pruned to eliminate duplicates Z: 10 16.205 1.957 0.655 0.786 1.000 0.556 CA 1.296 12 residues pruned to eliminate duplicates Z: 12 13.486 1.927 0.417 0.748 1.000 0.818 CA 1.193 12 residues pruned to eliminate duplicates Z: 38 25.589 2.042 0.630 0.526 0.892 0.703 CB 1.380 34 residues pruned to eliminate duplicates Z: 14 12.861 1.756 0.692 0.661 0.846 0.385 CB 1.222 14 residues pruned to eliminate duplicates Z: 15 10.430 1.969 0.709 0.325 0.857 0.500 CA 1.172 15 residues pruned to eliminate duplicates Z: 12 12.462 2.167 0.772 0.273 1.000 0.455 CB 1.266 12 residues pruned to eliminate duplicates Z: 7 16.925 2.161 1.071 0.583 1.000 0.833 CB 1.426 7 residues pruned to eliminate duplicates Z: 15 8.211 1.899 0.803 0.325 0.714 0.214 CB 1.088 15 residues pruned to eliminate duplicates Z: 57 27.362 2.000 0.615 0.470 0.804 0.357 CB 1.452 61 residues pruned to eliminate duplicates Z: 6 4.224 1.835 0.393 0.216 0.800 0.400 CA 1.291 6 residues pruned to eliminate duplicates Z: 31 18.676 2.003 0.647 0.440 0.833 0.600 CB 1.319 31 residues pruned to eliminate duplicates Z: 6 6.760 1.584 0.906 0.358 1.000 0.400 CB 1.168 Z: 26 21.902 2.096 0.788 0.435 0.880 0.680 CB 1.422 33 residues pruned to eliminate duplicates Z: 6 4.198 1.619 0.243 0.358 1.000 0.400 CB 1.087 6 residues pruned to eliminate duplicates Z: 28 20.991 2.034 0.601 0.473 0.926 0.667 CB 1.377 28 residues pruned to eliminate duplicates Z: 15 15.942 2.148 0.677 0.408 0.857 0.643 CB 1.520 15 residues pruned to eliminate duplicates Z: 18 18.324 2.054 0.642 0.579 0.882 0.765 CB 1.384 18 residues pruned to eliminate duplicates Z: 29 23.042 2.046 0.797 0.398 0.929 0.464 CB 1.421 29 residues pruned to eliminate duplicates Z: 18 20.539 2.037 0.697 0.560 0.941 0.588 CB 1.445 17 residues pruned to eliminate duplicates Z: 8 13.321 1.671 0.810 0.873 1.000 0.714 CA 1.213 8 residues pruned to eliminate duplicates Z: 8 8.909 1.680 0.576 0.845 1.000 0.714 CA 0.945 8 residues pruned to eliminate duplicates Z: 8 12.352 1.672 0.764 0.833 1.000 0.714 CA 1.187 8 residues pruned to eliminate duplicates Z: 27 21.385 2.034 0.812 0.455 0.885 0.615 CB 1.347 27 residues pruned to eliminate duplicates Z: 7 11.754 2.034 0.366 0.642 1.000 0.667 CA 1.512 8 residues pruned to eliminate duplicates Z: 7 4.505 1.545 0.173 0.557 1.000 0.833 CA 0.960 7 residues pruned to eliminate duplicates Z: 16 5.822 1.821 0.165 0.292 0.867 0.400 CB 1.033 16 residues pruned to eliminate duplicates Z: 11 11.825 1.866 0.847 0.392 0.900 0.600 CA 1.351 7 residues pruned to eliminate duplicates Z: 11 9.134 1.839 0.766 0.311 0.800 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 13 8.370 1.792 0.650 0.212 0.917 0.417 CB 1.252 13 residues pruned to eliminate duplicates Z: 12 6.510 1.760 0.529 0.374 0.636 0.273 CB 1.311 12 residues pruned to eliminate duplicates Z: 12 7.956 1.777 0.628 0.353 0.818 0.273 CB 1.189 12 residues pruned to eliminate duplicates Z: 10 5.778 1.829 0.513 0.387 0.778 0.444 CB 1.009 10 residues pruned to eliminate duplicates Z: 11 8.485 1.884 0.644 0.360 0.800 0.400 CA 1.259 12 residues pruned to eliminate duplicates Z: 10 6.272 1.921 0.286 0.296 0.778 0.444 CB 1.366 10 residues pruned to eliminate duplicates Z: 10 6.742 1.710 0.173 0.451 1.000 0.444 CB 1.179 10 residues pruned to eliminate duplicates Z: 6 5.038 1.692 0.318 0.567 0.800 0.600 CA 1.183 6 residues pruned to eliminate duplicates Z: 18 13.376 1.884 0.534 0.504 0.941 0.647 CB 1.189 19 residues pruned to eliminate duplicates Z: 18 11.988 1.861 0.516 0.512 0.941 0.588 CB 1.082 18 residues pruned to eliminate duplicates Z: 19 12.465 1.836 0.380 0.474 1.000 0.611 CB 1.191 18 residues pruned to eliminate duplicates Z: 7 3.997 1.468 0.420 0.459 0.833 0.333 CA 0.980 7 residues pruned to eliminate duplicates Z: 15 10.116 1.895 0.685 0.505 0.786 0.643 CB 1.073 15 residues pruned to eliminate duplicates Z: 12 9.701 1.999 0.541 0.495 0.818 0.727 CB 1.167 12 residues pruned to eliminate duplicates Z: 14 8.580 1.854 0.395 0.398 0.846 0.692 CB 1.211 14 residues pruned to eliminate duplicates Z: 6 2.081 1.451 0.417 0.333 0.800 0.400 CA 0.679 6 residues pruned to eliminate duplicates Z: 17 14.587 2.023 0.498 0.506 0.875 0.625 CA 1.368 36 residues pruned to eliminate duplicates Z: 6 4.497 1.593 0.349 0.377 1.000 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 18 16.419 1.933 0.605 0.522 0.941 0.647 CA 1.334 17 residues pruned to eliminate duplicates Z: 6 4.719 1.475 0.908 0.453 1.000 0.800 CA 0.787 6 residues pruned to eliminate duplicates Z: 6 5.206 1.856 0.456 0.296 0.800 0.400 CA 1.354 6 residues pruned to eliminate duplicates Z: 33 25.014 2.084 0.415 0.509 0.969 0.625 CB 1.533 34 residues pruned to eliminate duplicates Z: 8 5.503 1.809 0.304 0.466 0.857 0.571 CA 1.064 8 residues pruned to eliminate duplicates Z: 36 20.338 1.972 0.429 0.450 0.914 0.686 CB 1.406 36 residues pruned to eliminate duplicates Z: 35 25.923 2.052 0.476 0.485 0.971 0.676 CB 1.536 34 residues pruned to eliminate duplicates Z: 7 4.554 1.743 0.221 0.394 1.000 0.667 CA 0.977 7 residues pruned to eliminate duplicates Z: 35 25.227 2.046 0.503 0.491 0.941 0.676 CB 1.508 34 residues pruned to eliminate duplicates Z: 6 6.964 2.002 0.335 0.445 1.000 1.000 CA 1.234 6 residues pruned to eliminate duplicates Z: 35 22.440 2.027 0.538 0.433 0.912 0.588 CB 1.452 35 residues pruned to eliminate duplicates Z: 35 24.241 2.042 0.524 0.462 0.941 0.559 CA 1.475 35 residues pruned to eliminate duplicates Z: 34 22.411 2.045 0.505 0.451 0.939 0.606 CB 1.419 34 residues pruned to eliminate duplicates Z: 35 22.849 2.029 0.449 0.459 0.941 0.676 CB 1.476 35 residues pruned to eliminate duplicates Z: 33 15.850 1.930 0.361 0.387 0.844 0.656 CB 1.425 33 residues pruned to eliminate duplicates Z: 35 20.460 2.021 0.369 0.450 0.912 0.618 CB 1.463 35 residues pruned to eliminate duplicates Z: 34 20.398 2.040 0.524 0.463 0.788 0.606 CB 1.504 34 residues pruned to eliminate duplicates Z: 34 24.582 2.100 0.406 0.483 0.970 0.697 CB 1.521 34 residues pruned to eliminate duplicates Z: 36 24.272 1.977 0.569 0.450 0.971 0.457 CA 1.434 36 residues pruned to eliminate duplicates Z: 35 23.840 2.031 0.413 0.464 1.000 0.618 CB 1.477 35 residues pruned to eliminate duplicates Z: 36 23.542 2.006 0.444 0.483 0.971 0.657 CB 1.439 36 residues pruned to eliminate duplicates Z: 35 21.587 2.024 0.441 0.489 0.941 0.529 CB 1.364 35 residues pruned to eliminate duplicates Z: 35 22.730 2.032 0.515 0.445 0.941 0.735 CB 1.424 35 residues pruned to eliminate duplicates Z: 34 21.558 2.060 0.519 0.401 0.939 0.667 CB 1.416 34 residues pruned to eliminate duplicates Z: 10 16.763 1.984 1.006 0.786 1.000 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 34 23.944 2.068 0.451 0.480 0.970 0.727 CB 1.462 34 residues pruned to eliminate duplicates Z: 10 15.704 1.999 1.071 0.684 0.889 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 12 7.016 1.925 0.614 0.319 0.636 0.364 CA 1.306 12 residues pruned to eliminate duplicates Z: 12 5.954 1.941 0.536 0.280 0.636 0.455 CB 1.213 12 residues pruned to eliminate duplicates Z: 47 18.999 2.016 0.456 0.378 0.804 0.500 CB 1.352 47 residues pruned to eliminate duplicates Z: 23 11.698 2.021 0.385 0.328 0.864 0.455 CB 1.246 23 residues pruned to eliminate duplicates Z: 10 8.285 2.025 0.656 0.335 0.778 0.444 CA 1.268 10 residues pruned to eliminate duplicates Z: 11 6.499 2.037 0.592 0.348 0.700 0.400 CB 1.068 11 residues pruned to eliminate duplicates Z: 22 12.353 2.030 0.536 0.391 0.810 0.429 CB 1.198 22 residues pruned to eliminate duplicates Z: 52 20.360 1.948 0.520 0.379 0.804 0.490 CB 1.363 52 residues pruned to eliminate duplicates Z: 43 16.203 1.885 0.541 0.329 0.833 0.405 CB 1.245 43 residues pruned to eliminate duplicates Z: 66 22.621 1.965 0.452 0.387 0.846 0.492 CB 1.310 66 residues pruned to eliminate duplicates Z: 16 7.731 1.967 0.229 0.287 0.800 0.400 CB 1.311 16 residues pruned to eliminate duplicates Z: 29 14.030 1.948 0.445 0.414 0.821 0.571 CB 1.255 29 residues pruned to eliminate duplicates Z: 11 16.072 2.153 0.865 0.532 0.800 0.600 CB 1.533 11 residues pruned to eliminate duplicates Z: 21 15.091 2.060 0.580 0.444 0.800 0.500 CB 1.373 21 residues pruned to eliminate duplicates Z: 21 14.158 2.081 0.618 0.404 0.800 0.450 CB 1.300 21 residues pruned to eliminate duplicates Z: 78 24.370 1.988 0.419 0.418 0.831 0.481 CB 1.291 38 residues pruned to eliminate duplicates Z: 6 4.343 1.448 0.797 0.297 0.800 0.600 N 1.171 6 residues pruned to eliminate duplicates Z: 36 20.230 2.030 0.445 0.447 0.886 0.543 CB 1.390 36 residues pruned to eliminate duplicates Z: 57 21.211 2.019 0.559 0.402 0.786 0.464 CB 1.270 57 residues pruned to eliminate duplicates Z: 23 14.658 2.039 0.553 0.458 0.818 0.545 CB 1.259 23 residues pruned to eliminate duplicates Z: 6 4.381 1.418 0.396 0.436 1.000 0.600 CA 1.058 6 residues pruned to eliminate duplicates Z: 22 20.353 2.010 0.561 0.572 0.905 0.571 CB 1.460 22 residues pruned to eliminate duplicates Z: 9 9.767 1.957 0.395 0.626 1.000 0.625 CA 1.123 9 residues pruned to eliminate duplicates Z: 21 7.828 1.784 0.425 0.274 0.850 0.400 CB 1.047 21 residues pruned to eliminate duplicates Z: 33 19.483 1.999 0.501 0.442 0.906 0.562 CB 1.344 33 residues pruned to eliminate duplicates Z: 22 8.874 1.868 0.460 0.282 0.810 0.429 CB 1.121 22 residues pruned to eliminate duplicates Z: 21 11.189 1.919 0.497 0.325 0.900 0.450 CB 1.173 21 residues pruned to eliminate duplicates Z: 58 20.209 1.981 0.504 0.381 0.825 0.421 CB 1.236 58 residues pruned to eliminate duplicates Z: 13 10.475 1.972 0.471 0.417 0.917 0.667 CB 1.240 13 residues pruned to eliminate duplicates Z: 15 12.420 1.893 0.641 0.396 0.857 0.500 CB 1.391 15 residues pruned to eliminate duplicates Z: 25 15.189 1.929 0.574 0.426 0.875 0.500 CB 1.261 25 residues pruned to eliminate duplicates Z: 13 11.832 1.963 0.474 0.430 0.917 0.500 CB 1.384 13 residues pruned to eliminate duplicates Z: 14 11.353 1.924 0.578 0.416 0.923 0.692 CB 1.226 14 residues pruned to eliminate duplicates Z: 16 7.613 1.883 0.507 0.318 0.933 0.400 CB 0.907 16 residues pruned to eliminate duplicates Z: 35 20.369 1.924 0.568 0.465 0.882 0.588 CB 1.360 35 residues pruned to eliminate duplicates Z: 15 8.885 1.954 0.502 0.306 0.857 0.286 CB 1.171 15 residues pruned to eliminate duplicates Z: 13 10.864 1.878 0.469 0.386 1.000 0.250 CB 1.284 13 residues pruned to eliminate duplicates Z: 14 9.557 1.919 0.496 0.339 0.846 0.308 CB 1.301 14 residues pruned to eliminate duplicates Z: 56 21.217 1.992 0.497 0.393 0.818 0.509 CB 1.313 56 residues pruned to eliminate duplicates Z: 32 16.707 1.999 0.552 0.380 0.839 0.548 CB 1.310 32 residues pruned to eliminate duplicates Z: 35 17.076 1.887 0.564 0.388 0.912 0.500 CB 1.225 35 residues pruned to eliminate duplicates Z: 27 15.449 1.981 0.699 0.416 0.808 0.538 CB 1.217 27 residues pruned to eliminate duplicates Z: 25 14.460 1.995 0.639 0.395 0.833 0.500 CB 1.210 25 residues pruned to eliminate duplicates Z: 17 13.626 1.903 0.742 0.401 0.875 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 18 13.016 1.932 0.600 0.443 0.882 0.647 CB 1.226 18 residues pruned to eliminate duplicates Z: 28 13.605 1.961 0.577 0.321 0.815 0.519 CB 1.266 28 residues pruned to eliminate duplicates Z: 46 20.082 2.003 0.452 0.410 0.889 0.533 CB 1.273 46 residues pruned to eliminate duplicates Z: 20 14.190 2.019 0.610 0.300 0.895 0.421 CA 1.399 20 residues pruned to eliminate duplicates Z: 23 8.653 1.956 0.404 0.257 0.773 0.409 CB 1.148 23 residues pruned to eliminate duplicates Z: 31 17.956 1.936 0.575 0.353 0.900 0.467 CB 1.401 31 residues pruned to eliminate duplicates Z: 38 15.822 1.939 0.427 0.377 0.892 0.514 CB 1.201 38 residues pruned to eliminate duplicates Z: 23 10.831 2.028 0.382 0.320 0.818 0.409 CB 1.228 23 residues pruned to eliminate duplicates Z: 30 14.194 1.971 0.424 0.361 0.793 0.483 CB 1.375 30 residues pruned to eliminate duplicates Z: 12 8.861 2.042 0.245 0.454 0.818 0.727 CA 1.347 12 residues pruned to eliminate duplicates Z: 23 13.405 1.962 0.610 0.365 0.818 0.455 CB 1.279 23 residues pruned to eliminate duplicates Z: 21 11.743 1.924 0.511 0.343 0.850 0.500 CB 1.261 21 residues pruned to eliminate duplicates Z: 44 15.617 1.902 0.544 0.282 0.837 0.419 CB 1.239 44 residues pruned to eliminate duplicates Z: 21 10.985 1.935 0.495 0.391 0.850 0.250 CB 1.121 21 residues pruned to eliminate duplicates Z: 29 13.816 1.907 0.447 0.323 0.893 0.536 CB 1.288 29 residues pruned to eliminate duplicates Z: 19 16.088 2.007 0.600 0.359 1.000 0.500 CB 1.375 19 residues pruned to eliminate duplicates Z: 19 11.286 1.981 0.283 0.397 0.833 0.611 CA 1.399 19 residues pruned to eliminate duplicates Z: 27 17.201 1.969 0.501 0.350 0.923 0.538 CA 1.454 27 residues pruned to eliminate duplicates Z: 17 10.604 1.930 0.426 0.339 0.812 0.625 CA 1.412 17 residues pruned to eliminate duplicates Z: 37 18.926 2.034 0.505 0.353 0.861 0.389 CB 1.403 37 residues pruned to eliminate duplicates Z: 23 13.074 1.931 0.632 0.294 0.818 0.545 CB 1.362 23 residues pruned to eliminate duplicates Z: 20 15.213 1.933 0.598 0.405 0.947 0.579 CB 1.318 20 residues pruned to eliminate duplicates Z: 44 20.803 1.958 0.587 0.370 0.930 0.558 CB 1.262 44 residues pruned to eliminate duplicates Z: 56 24.522 2.007 0.612 0.406 0.855 0.545 CB 1.321 56 residues pruned to eliminate duplicates Z: 42 17.650 1.963 0.465 0.369 0.829 0.415 CB 1.330 42 residues pruned to eliminate duplicates Z: 17 8.691 1.914 0.396 0.386 0.750 0.500 CB 1.224 17 residues pruned to eliminate duplicates Z: 37 19.432 2.034 0.527 0.394 0.889 0.528 CB 1.312 37 residues pruned to eliminate duplicates Z: 13 7.129 2.005 0.294 0.404 0.667 0.500 CB 1.317 13 residues pruned to eliminate duplicates Z: 14 9.869 1.944 0.533 0.465 0.692 0.462 CB 1.374 14 residues pruned to eliminate duplicates Z: 33 16.602 1.989 0.560 0.405 0.812 0.562 CB 1.287 33 residues pruned to eliminate duplicates Z: 14 11.562 1.882 0.573 0.454 0.846 0.462 CB 1.341 14 residues pruned to eliminate duplicates Z: 14 11.061 2.098 0.431 0.363 0.769 0.462 CB 1.539 14 residues pruned to eliminate duplicates Z: 13 10.656 2.154 0.515 0.380 0.750 0.417 CB 1.428 13 residues pruned to eliminate duplicates Z: 20 12.073 1.938 0.480 0.369 0.789 0.421 CB 1.408 20 residues pruned to eliminate duplicates Z: 20 10.202 1.809 0.550 0.335 0.737 0.421 CA 1.357 20 residues pruned to eliminate duplicates Z: 14 8.779 1.992 0.580 0.346 0.769 0.462 CB 1.190 14 residues pruned to eliminate duplicates Z: 21 14.209 2.044 0.589 0.334 0.850 0.400 CB 1.380 21 residues pruned to eliminate duplicates Z: 16 9.576 1.813 0.605 0.291 0.800 0.467 CA 1.343 16 residues pruned to eliminate duplicates Z: 26 12.481 1.986 0.566 0.302 0.760 0.400 CB 1.317 26 residues pruned to eliminate duplicates Z: 45 20.827 1.904 0.596 0.400 0.841 0.523 CB 1.366 45 residues pruned to eliminate duplicates Z: 16 8.103 1.802 0.415 0.299 0.867 0.467 CB 1.184 16 residues pruned to eliminate duplicates Z: 13 12.638 1.893 0.721 0.261 1.000 0.417 N 1.471 13 residues pruned to eliminate duplicates Z: 18 10.877 1.842 0.586 0.377 0.765 0.412 CA 1.346 18 residues pruned to eliminate duplicates Z: 67 25.719 1.942 0.656 0.363 0.879 0.485 CB 1.298 67 residues pruned to eliminate duplicates Z: 42 32.451 2.032 0.480 0.643 0.976 0.780 CB 1.511 42 residues pruned to eliminate duplicates Z: 43 29.229 2.013 0.491 0.612 0.929 0.571 CB 1.456 43 residues pruned to eliminate duplicates Z: 53 28.876 2.080 0.418 0.550 0.827 0.635 CB 1.564 53 residues pruned to eliminate duplicates Z: 18 8.534 1.801 0.302 0.269 0.824 0.412 CA 1.394 18 residues pruned to eliminate duplicates Z: 16 13.017 1.942 0.449 0.326 0.933 0.467 CA 1.549 16 residues pruned to eliminate duplicates Z: 48 31.138 2.061 0.483 0.544 0.872 0.660 CB 1.630 48 residues pruned to eliminate duplicates Z: 31 29.849 2.045 0.346 0.711 1.000 0.767 CB 1.634 31 residues pruned to eliminate duplicates Z: 30 33.157 2.137 0.380 0.736 1.000 0.862 CB 1.690 30 residues pruned to eliminate duplicates Z: 30 36.145 2.116 0.557 0.734 1.000 0.759 CB 1.650 30 residues pruned to eliminate duplicates Z: 54 33.865 2.080 0.618 0.501 0.906 0.642 CB 1.524 29 residues pruned to eliminate duplicates Z: 22 24.158 2.180 0.217 0.809 1.000 0.714 CB 1.518 22 residues pruned to eliminate duplicates Z: 24 28.940 2.200 0.287 0.793 1.000 0.783 CB 1.649 25 residues pruned to eliminate duplicates Z: 21 27.405 2.202 0.346 0.909 1.000 0.800 CB 1.468 21 residues pruned to eliminate duplicates Z: 22 32.649 2.174 0.553 0.918 1.000 0.905 CB 1.488 22 residues pruned to eliminate duplicates Z: 22 31.583 2.151 0.533 0.920 1.000 0.762 CB 1.472 22 residues pruned to eliminate duplicates Z: 35 32.472 2.088 0.502 0.737 0.941 0.676 CB 1.526 24 residues pruned to eliminate duplicates Z: 21 30.725 2.221 0.505 0.913 1.000 0.850 CB 1.455 21 residues pruned to eliminate duplicates Z: 25 34.714 2.174 0.632 0.806 0.958 0.708 CB 1.595 25 residues pruned to eliminate duplicates Z: 26 32.070 2.119 0.712 0.754 0.920 0.760 CB 1.533 26 residues pruned to eliminate duplicates Z: 26 30.395 2.100 0.614 0.748 0.920 0.680 CB 1.561 26 residues pruned to eliminate duplicates Z: 31 38.685 2.083 0.725 0.745 1.000 0.800 CA 1.579 31 residues pruned to eliminate duplicates Z: 43 38.278 2.140 0.645 0.648 0.905 0.690 CB 1.615 43 residues pruned to eliminate duplicates Z: 39 33.019 2.105 0.549 0.603 0.921 0.632 CB 1.617 39 residues pruned to eliminate duplicates Z: 25 32.051 2.163 0.626 0.774 0.917 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 37 34.919 2.088 0.619 0.603 0.944 0.583 CA 1.653 37 residues pruned to eliminate duplicates Z: 37 36.365 2.073 0.726 0.620 0.944 0.611 CB 1.601 37 residues pruned to eliminate duplicates Z: 30 40.321 2.172 0.661 0.749 0.966 0.759 CB 1.722 30 residues pruned to eliminate duplicates Z: 40 37.163 2.054 0.714 0.629 0.974 0.410 CB 1.536 40 residues pruned to eliminate duplicates Z: 7 14.521 1.981 0.413 0.853 1.000 0.667 CA 1.565 7 residues pruned to eliminate duplicates Z: 25 36.289 2.175 0.887 0.784 0.917 0.625 CB 1.534 25 residues pruned to eliminate duplicates Z: 24 40.519 2.231 0.735 0.821 1.000 0.609 CB 1.651 24 residues pruned to eliminate duplicates Z: 6 7.031 1.995 0.816 0.621 0.800 0.800 CB 0.968 6 residues pruned to eliminate duplicates Z: 9 8.115 1.918 0.855 0.555 0.875 0.500 CB 0.874 8 residues pruned to eliminate duplicates Z: 7 9.911 1.702 0.755 0.578 1.000 0.333 N 1.257 7 residues pruned to eliminate duplicates Z: 17 10.339 1.908 0.524 0.451 0.750 0.562 CB 1.246 17 residues pruned to eliminate duplicates Z: 62 39.656 1.987 0.688 0.616 0.902 0.672 CA 1.505 62 residues pruned to eliminate duplicates Z: 91 36.077 2.031 0.429 0.530 0.911 0.611 CA 1.395 91 residues pruned to eliminate duplicates Z: 27 14.888 1.945 0.330 0.535 0.846 0.538 CA 1.289 27 residues pruned to eliminate duplicates Z: 76 42.412 2.093 0.556 0.593 0.960 0.707 CA 1.433 75 residues pruned to eliminate duplicates Z: 7 4.454 1.497 0.387 0.375 1.000 0.500 CA 1.001 7 residues pruned to eliminate duplicates Z: 27 19.333 2.020 0.479 0.469 0.885 0.692 CB 1.481 27 residues pruned to eliminate duplicates Z: 46 26.521 1.990 0.453 0.686 0.933 0.711 CA 1.235 46 residues pruned to eliminate duplicates Z: 37 25.057 1.987 0.508 0.607 0.917 0.722 CA 1.374 37 residues pruned to eliminate duplicates Z: 57 36.266 1.998 0.547 0.624 0.964 0.661 CA 1.446 57 residues pruned to eliminate duplicates Z: 49 28.814 1.967 0.554 0.595 0.917 0.604 CA 1.356 49 residues pruned to eliminate duplicates Z: 19 10.592 1.898 0.550 0.369 0.778 0.444 CB 1.256 19 residues pruned to eliminate duplicates Z: 75 36.038 2.053 0.460 0.556 0.919 0.608 CA 1.440 74 residues pruned to eliminate duplicates Z: 18 25.320 2.085 0.711 0.872 0.941 0.706 CA 1.333 18 residues pruned to eliminate duplicates Z: 40 26.979 1.975 0.438 0.579 0.974 0.692 CA 1.447 40 residues pruned to eliminate duplicates Z: 74 40.669 2.076 0.526 0.578 0.986 0.603 CA 1.413 74 residues pruned to eliminate duplicates Z: 75 41.184 2.079 0.527 0.611 0.946 0.622 CA 1.434 75 residues pruned to eliminate duplicates Z: 23 25.741 2.031 0.506 0.836 1.000 0.773 CA 1.343 23 residues pruned to eliminate duplicates Z: 73 41.492 2.081 0.605 0.582 0.917 0.653 CA 1.476 73 residues pruned to eliminate duplicates Z: 74 38.135 2.080 0.516 0.571 0.945 0.630 CA 1.399 74 residues pruned to eliminate duplicates Z: 36 28.712 2.042 0.514 0.681 0.943 0.600 CA 1.409 36 residues pruned to eliminate duplicates Z: 70 39.354 2.087 0.553 0.574 0.942 0.638 CA 1.446 70 residues pruned to eliminate duplicates Z: 56 36.104 2.011 0.590 0.636 0.945 0.655 CA 1.417 56 residues pruned to eliminate duplicates Z: 48 31.164 2.022 0.644 0.638 0.915 0.638 CA 1.314 48 residues pruned to eliminate duplicates Z: 44 36.538 2.035 0.733 0.675 0.977 0.605 CA 1.377 44 residues pruned to eliminate duplicates Z: 81 44.260 2.070 0.609 0.560 0.950 0.613 CA 1.475 81 residues pruned to eliminate duplicates Z: 85 38.637 2.055 0.506 0.534 0.905 0.512 CA 1.455 85 residues pruned to eliminate duplicates Z: 25 26.374 2.031 0.734 0.689 1.000 0.583 CA 1.286 25 residues pruned to eliminate duplicates Z: 77 42.705 2.071 0.590 0.567 0.934 0.579 CA 1.492 77 residues pruned to eliminate duplicates Z: 35 28.451 1.992 0.582 0.632 0.971 0.618 CA 1.409 35 residues pruned to eliminate duplicates Z: 57 43.229 2.013 0.770 0.616 1.000 0.625 CA 1.452 57 residues pruned to eliminate duplicates Z: 44 36.377 2.053 0.671 0.694 0.953 0.698 CA 1.420 44 residues pruned to eliminate duplicates Z: 54 38.711 2.046 0.677 0.642 0.962 0.623 CA 1.410 54 residues pruned to eliminate duplicates Z: 76 45.629 2.076 0.644 0.593 0.960 0.680 CA 1.471 78 residues pruned to eliminate duplicates Z: 13 13.222 1.930 0.373 0.666 0.917 0.667 CA 1.347 13 residues pruned to eliminate duplicates Z: 59 31.981 1.945 0.614 0.571 0.897 0.552 CA 1.393 59 residues pruned to eliminate duplicates Z: 53 31.418 2.003 0.586 0.603 0.923 0.577 CA 1.347 53 residues pruned to eliminate duplicates Z: 82 47.327 2.075 0.610 0.587 0.963 0.617 CA 1.504 82 residues pruned to eliminate duplicates Z: 77 39.998 2.073 0.588 0.559 0.908 0.553 CA 1.449 77 residues pruned to eliminate duplicates Z: 78 39.206 2.061 0.535 0.578 0.909 0.636 CA 1.441 78 residues pruned to eliminate duplicates Z: 58 38.679 2.039 0.655 0.637 0.912 0.632 CA 1.463 58 residues pruned to eliminate duplicates Z: 79 42.307 2.041 0.606 0.548 0.949 0.526 CB 1.470 78 residues pruned to eliminate duplicates Z: 12 20.137 2.149 0.724 0.838 0.909 0.636 CB 1.348 12 residues pruned to eliminate duplicates Z: 46 29.115 2.064 0.615 0.476 0.911 0.600 CB 1.463 46 residues pruned to eliminate duplicates Z: 44 31.627 2.099 0.719 0.482 0.907 0.535 CA 1.501 44 residues pruned to eliminate duplicates Z: 61 36.434 2.055 0.549 0.600 0.950 0.667 CA 1.413 61 residues pruned to eliminate duplicates Z: 79 41.527 2.068 0.649 0.563 0.910 0.615 CA 1.425 79 residues pruned to eliminate duplicates Z: 44 31.636 2.111 0.601 0.530 0.907 0.605 CA 1.529 44 residues pruned to eliminate duplicates Z: 76 45.943 2.089 0.676 0.582 0.933 0.640 CA 1.501 76 residues pruned to eliminate duplicates Z: 81 37.988 2.039 0.547 0.502 0.913 0.550 CA 1.473 81 residues pruned to eliminate duplicates Z: 45 31.973 2.107 0.642 0.484 0.932 0.455 CA 1.520 45 residues pruned to eliminate duplicates Z: 46 27.956 2.098 0.481 0.474 0.933 0.578 CA 1.476 46 residues pruned to eliminate duplicates Z: 65 35.733 2.087 0.475 0.563 0.922 0.641 CA 1.481 65 residues pruned to eliminate duplicates Z: 80 36.283 1.993 0.604 0.464 0.937 0.557 CA 1.414 80 residues pruned to eliminate duplicates Z: 31 22.950 2.131 0.625 0.394 0.900 0.433 CA 1.504 31 residues pruned to eliminate duplicates Z: 6 3.570 1.402 0.879 0.254 1.000 0.400 CA 0.804 6 residues pruned to eliminate duplicates Z: 18 14.446 2.177 0.327 0.353 0.882 0.529 CA 1.611 18 residues pruned to eliminate duplicates Z: 24 19.483 2.119 0.639 0.415 0.826 0.565 CA 1.546 24 residues pruned to eliminate duplicates Z: 24 16.142 2.125 0.551 0.319 0.783 0.435 CB 1.595 24 residues pruned to eliminate duplicates Z: 28 17.834 2.009 0.512 0.388 0.889 0.481 CA 1.432 28 residues pruned to eliminate duplicates Z: 23 20.521 2.087 0.638 0.451 0.864 0.545 CA 1.558 23 residues pruned to eliminate duplicates Z: 10 16.923 1.916 0.783 0.716 1.000 0.556 CA 1.358 12 residues pruned to eliminate duplicates Z: 9 18.310 1.947 0.869 0.866 1.000 0.750 CA 1.302 10 residues pruned to eliminate duplicates Z: 11 14.542 1.742 0.684 0.769 1.000 0.700 CA 1.235 11 residues pruned to eliminate duplicates Z: 19 20.975 2.042 0.666 0.553 0.944 0.722 CA 1.460 19 residues pruned to eliminate duplicates Z: 23 21.178 2.096 0.553 0.480 0.909 0.591 CA 1.557 23 residues pruned to eliminate duplicates Z: 25 19.784 2.086 0.638 0.443 0.833 0.583 CA 1.503 25 residues pruned to eliminate duplicates Z: 7 4.909 1.682 0.463 0.373 0.833 0.167 CA 1.119 3 residues pruned to eliminate duplicates Z: 11 16.060 1.931 0.795 0.766 0.900 0.600 CA 1.286 11 residues pruned to eliminate duplicates Z: 24 16.244 2.050 0.448 0.416 0.826 0.522 CA 1.507 24 residues pruned to eliminate duplicates Z: 6 3.684 1.610 0.151 0.434 0.800 0.000 CB 1.190 3 residues pruned to eliminate duplicates Z: 6 4.941 1.976 0.023 0.404 1.000 0.800 CA 1.209 6 residues pruned to eliminate duplicates Z: 30 13.488 1.878 0.301 0.401 0.931 0.517 CB 1.222 30 residues pruned to eliminate duplicates Z: 25 10.070 1.799 0.221 0.369 0.917 0.542 CA 1.175 25 residues pruned to eliminate duplicates Z: 20 12.770 1.957 0.306 0.375 0.947 0.737 CB 1.384 20 residues pruned to eliminate duplicates Z: 28 13.041 1.962 0.192 0.388 0.963 0.630 CB 1.254 28 residues pruned to eliminate duplicates Z: 28 13.774 1.945 0.316 0.396 0.889 0.593 CB 1.301 28 residues pruned to eliminate duplicates Z: 26 12.231 2.010 0.169 0.364 0.880 0.560 CB 1.369 26 residues pruned to eliminate duplicates Z: 29 12.954 1.938 0.117 0.419 0.929 0.643 CB 1.326 29 residues pruned to eliminate duplicates Z: 29 11.185 1.895 0.191 0.347 0.929 0.464 CB 1.190 29 residues pruned to eliminate duplicates Z: 36 12.145 1.842 0.134 0.402 0.914 0.571 CB 1.192 36 residues pruned to eliminate duplicates Z: 24 10.994 1.918 0.148 0.361 1.000 0.522 CB 1.209 24 residues pruned to eliminate duplicates Z: 28 9.408 1.878 0.118 0.330 0.889 0.556 CB 1.169 28 residues pruned to eliminate duplicates Z: 29 14.124 1.893 0.184 0.421 1.000 0.679 CB 1.293 29 residues pruned to eliminate duplicates Z: 29 11.410 1.893 0.262 0.296 0.964 0.429 CB 1.176 29 residues pruned to eliminate duplicates Z: 28 14.417 1.929 0.326 0.391 0.963 0.741 CA 1.265 28 residues pruned to eliminate duplicates Z: 29 15.852 1.904 0.463 0.388 0.929 0.607 CB 1.303 29 residues pruned to eliminate duplicates Z: 29 14.437 1.901 0.284 0.453 0.964 0.714 CA 1.216 23 residues pruned to eliminate duplicates Z: 6 6.840 1.881 0.701 0.561 0.800 0.400 CA 1.126 6 residues pruned to eliminate duplicates Z: 19 13.897 1.788 0.573 0.439 0.944 0.611 CA 1.313 19 residues pruned to eliminate duplicates Z: 29 14.044 1.821 0.426 0.359 0.893 0.393 CB 1.333 29 residues pruned to eliminate duplicates Z: 23 13.041 1.778 0.473 0.435 0.955 0.500 CB 1.190 23 residues pruned to eliminate duplicates Z: 14 13.052 1.854 0.530 0.515 0.923 0.538 CB 1.362 14 residues pruned to eliminate duplicates Z: 12 13.435 1.875 0.644 0.553 1.000 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 33 17.345 1.822 0.547 0.422 0.969 0.500 CB 1.218 34 residues pruned to eliminate duplicates Z: 6 3.961 1.483 0.779 0.292 0.800 0.200 CB 1.060 Z: 6 4.849 1.665 0.580 0.474 1.000 0.600 CB 0.847 6 residues pruned to eliminate duplicates Z: 12 9.178 1.957 0.680 0.416 0.909 0.636 CB 1.011 13 residues pruned to eliminate duplicates Z: 6 4.683 2.086 0.251 0.253 0.600 0.200 CA 1.776 6 residues pruned to eliminate duplicates Z: 34 18.332 2.067 0.498 0.356 0.818 0.545 CB 1.471 34 residues pruned to eliminate duplicates Z: 34 21.344 2.095 0.514 0.378 0.879 0.545 CB 1.518 34 residues pruned to eliminate duplicates Z: 35 15.643 2.053 0.361 0.334 0.824 0.441 CB 1.397 24 residues pruned to eliminate duplicates Z: 6 5.099 1.901 0.620 0.561 0.600 0.200 CA 1.163 6 residues pruned to eliminate duplicates Z: 9 6.781 2.193 0.464 0.183 0.750 0.500 CA 1.459 9 residues pruned to eliminate duplicates Z: 34 15.346 2.120 0.472 0.355 0.697 0.424 CB 1.436 34 residues pruned to eliminate duplicates Z: 27 14.932 2.075 0.478 0.323 0.808 0.538 CA 1.436 27 residues pruned to eliminate duplicates Z: 36 18.035 2.078 0.509 0.316 0.800 0.429 CB 1.489 36 residues pruned to eliminate duplicates Z: 10 5.553 2.121 0.331 0.193 0.667 0.444 CB 1.420 10 residues pruned to eliminate duplicates Z: 33 18.359 2.115 0.471 0.340 0.844 0.562 CB 1.470 33 residues pruned to eliminate duplicates Z: 27 13.522 2.048 0.406 0.307 0.808 0.692 CA 1.413 27 residues pruned to eliminate duplicates Z: 34 15.529 2.112 0.292 0.305 0.818 0.545 CB 1.503 34 residues pruned to eliminate duplicates Z: 36 17.302 2.051 0.397 0.373 0.829 0.486 CB 1.411 36 residues pruned to eliminate duplicates Z: 36 16.660 2.074 0.432 0.312 0.829 0.543 CB 1.410 36 residues pruned to eliminate duplicates Z: 35 14.642 2.099 0.450 0.302 0.735 0.471 CB 1.400 35 residues pruned to eliminate duplicates Z: 26 14.432 2.088 0.284 0.326 0.880 0.600 CB 1.481 26 residues pruned to eliminate duplicates Z: 35 16.610 2.113 0.475 0.337 0.794 0.559 CB 1.375 35 residues pruned to eliminate duplicates Z: 35 13.576 2.055 0.335 0.328 0.765 0.441 CB 1.341 35 residues pruned to eliminate duplicates Z: 34 17.949 2.100 0.524 0.320 0.788 0.545 CB 1.512 34 residues pruned to eliminate duplicates Z: 35 14.643 2.013 0.409 0.329 0.735 0.441 CB 1.452 26 residues pruned to eliminate duplicates Z: 6 2.611 1.706 -0.074 0.372 0.800 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 33 14.168 2.040 0.412 0.305 0.719 0.469 CB 1.503 33 residues pruned to eliminate duplicates Z: 6 6.095 1.806 0.392 0.287 1.000 0.600 CA 1.378 Z: 19 13.676 1.918 0.488 0.400 0.889 0.556 CA 1.411 25 residues pruned to eliminate duplicates Z: 36 17.205 2.079 0.548 0.321 0.743 0.429 CB 1.481 36 residues pruned to eliminate duplicates Z: 18 14.240 2.023 0.547 0.426 0.824 0.647 CB 1.447 18 residues pruned to eliminate duplicates Z: 36 16.704 2.075 0.442 0.345 0.829 0.457 CB 1.348 36 residues pruned to eliminate duplicates Z: 24 18.346 2.109 0.483 0.446 0.826 0.522 CB 1.566 24 residues pruned to eliminate duplicates Z: 31 14.211 1.947 0.410 0.388 0.767 0.500 CB 1.389 31 residues pruned to eliminate duplicates Z: 64 25.980 2.039 0.397 0.378 0.889 0.556 CB 1.472 64 residues pruned to eliminate duplicates Z: 38 20.836 1.965 0.449 0.435 0.892 0.595 CB 1.444 38 residues pruned to eliminate duplicates Z: 14 12.522 1.855 0.411 0.508 0.923 0.615 CB 1.425 14 residues pruned to eliminate duplicates Z: 22 15.710 1.942 0.448 0.452 0.905 0.619 CB 1.415 22 residues pruned to eliminate duplicates Z: 23 13.960 1.921 0.516 0.434 0.864 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 14 8.134 1.746 0.253 0.436 0.923 0.385 CA 1.193 14 residues pruned to eliminate duplicates Z: 20 16.518 2.030 0.379 0.507 0.947 0.632 CB 1.418 20 residues pruned to eliminate duplicates Z: 43 16.427 1.965 0.264 0.372 0.857 0.476 CB 1.365 43 residues pruned to eliminate duplicates Z: 27 14.606 1.948 0.281 0.447 0.846 0.538 CB 1.431 27 residues pruned to eliminate duplicates Z: 55 20.037 1.954 0.381 0.397 0.833 0.556 CB 1.351 55 residues pruned to eliminate duplicates Z: 47 22.930 2.040 0.443 0.375 0.891 0.543 CB 1.472 47 residues pruned to eliminate duplicates Z: 58 22.877 1.914 0.431 0.417 0.877 0.561 CB 1.376 58 residues pruned to eliminate duplicates Z: 40 18.476 1.938 0.336 0.415 0.923 0.513 CB 1.354 40 residues pruned to eliminate duplicates Z: 36 17.584 1.970 0.436 0.429 0.857 0.629 CB 1.320 36 residues pruned to eliminate duplicates Z: 67 25.079 2.037 0.384 0.368 0.864 0.636 CB 1.461 67 residues pruned to eliminate duplicates Z: 49 22.357 1.985 0.393 0.428 0.875 0.562 CB 1.438 49 residues pruned to eliminate duplicates Z: 40 17.548 1.984 0.304 0.395 0.846 0.590 CB 1.434 40 residues pruned to eliminate duplicates Z: 36 22.123 2.020 0.408 0.445 0.943 0.629 CB 1.475 36 residues pruned to eliminate duplicates Z: 30 17.320 1.965 0.417 0.428 0.828 0.552 CB 1.504 30 residues pruned to eliminate duplicates Z: 27 15.358 2.020 0.334 0.415 0.885 0.654 CB 1.381 27 residues pruned to eliminate duplicates Z: 11 11.296 1.839 0.297 0.550 1.000 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 10.023 2.094 0.231 0.520 0.900 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 9 9.683 2.062 0.295 0.610 0.875 0.750 CA 1.321 9 residues pruned to eliminate duplicates Z: 22 18.978 2.057 0.477 0.465 1.000 0.667 CB 1.412 22 residues pruned to eliminate duplicates Z: 40 20.571 2.011 0.449 0.396 0.872 0.513 CB 1.448 40 residues pruned to eliminate duplicates Z: 28 15.543 1.994 0.454 0.387 0.889 0.667 CB 1.309 28 residues pruned to eliminate duplicates Z: 21 10.364 1.863 0.355 0.283 0.950 0.400 CB 1.234 21 residues pruned to eliminate duplicates Z: 23 15.694 2.066 0.436 0.366 0.909 0.591 CB 1.433 23 residues pruned to eliminate duplicates Z: 23 15.766 2.056 0.352 0.395 0.909 0.591 CB 1.485 23 residues pruned to eliminate duplicates Z: 13 11.620 2.062 0.566 0.442 1.000 0.667 CB 1.102 13 residues pruned to eliminate duplicates Z: 15 15.850 2.037 0.688 0.489 0.929 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 29 16.178 1.942 0.566 0.462 0.786 0.607 CB 1.331 29 residues pruned to eliminate duplicates Z: 18 15.220 1.978 0.342 0.508 0.941 0.647 CB 1.465 18 residues pruned to eliminate duplicates Z: 24 10.800 1.913 0.460 0.339 0.870 0.652 CB 1.105 24 residues pruned to eliminate duplicates Z: 17 14.365 1.897 0.550 0.568 0.875 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 20 15.321 1.947 0.516 0.498 0.895 0.684 CB 1.334 20 residues pruned to eliminate duplicates Z: 17 14.199 1.969 0.411 0.431 0.938 0.625 CB 1.463 17 residues pruned to eliminate duplicates Z: 26 17.504 1.985 0.436 0.478 0.920 0.800 CB 1.365 26 residues pruned to eliminate duplicates Z: 21 21.615 2.037 0.603 0.500 0.950 0.750 CB 1.557 21 residues pruned to eliminate duplicates Z: 30 19.529 1.973 0.632 0.360 0.931 0.552 CB 1.406 30 residues pruned to eliminate duplicates Z: 25 19.069 2.056 0.656 0.433 0.875 0.625 CB 1.401 25 residues pruned to eliminate duplicates Z: 69 49.674 2.127 0.699 0.642 0.956 0.809 CA 1.527 69 residues pruned to eliminate duplicates Z: 82 49.281 2.102 0.699 0.579 0.951 0.704 CB 1.494 82 residues pruned to eliminate duplicates Z: 36 24.921 1.938 0.661 0.512 0.886 0.600 CB 1.460 36 residues pruned to eliminate duplicates Z: 36 23.122 2.053 0.586 0.524 0.886 0.600 CA 1.323 36 residues pruned to eliminate duplicates Z: 12 9.042 1.982 0.579 0.353 0.727 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 11 11.139 2.088 0.823 0.326 0.800 0.600 CA 1.402 11 residues pruned to eliminate duplicates Z: 13 4.376 1.554 0.226 0.435 0.833 0.250 CA 0.852 Z: 53 37.393 2.094 0.578 0.652 1.000 0.769 CA 1.363 53 residues pruned to eliminate duplicates Z: 46 41.274 2.166 0.833 0.641 0.956 0.800 CA 1.422 46 residues pruned to eliminate duplicates Z: 46 39.216 2.169 0.586 0.726 1.000 0.867 CA 1.386 46 residues pruned to eliminate duplicates Z: 58 41.594 2.177 0.623 0.625 0.965 0.754 CA 1.436 58 residues pruned to eliminate duplicates Z: 29 23.404 2.060 0.675 0.545 0.929 0.679 CA 1.321 29 residues pruned to eliminate duplicates Z: 81 46.173 2.125 0.683 0.576 0.900 0.713 CA 1.491 81 residues pruned to eliminate duplicates Z: 36 35.436 2.204 0.602 0.707 1.000 0.857 CA 1.405 36 residues pruned to eliminate duplicates Z: 91 48.056 2.104 0.674 0.536 0.922 0.689 CB 1.505 91 residues pruned to eliminate duplicates Z: 49 44.369 2.148 0.775 0.673 0.979 0.854 CA 1.462 49 residues pruned to eliminate duplicates Z: 53 41.854 2.111 0.689 0.665 0.981 0.769 CA 1.425 53 residues pruned to eliminate duplicates Z: 44 35.647 2.158 0.632 0.708 0.977 0.884 CA 1.308 44 residues pruned to eliminate duplicates Z: 75 47.895 2.149 0.593 0.605 0.986 0.689 CA 1.491 75 residues pruned to eliminate duplicates Z: 41 36.990 2.163 0.740 0.663 0.950 0.775 CA 1.407 41 residues pruned to eliminate duplicates Z: 47 40.297 2.156 0.783 0.619 0.957 0.739 CA 1.444 47 residues pruned to eliminate duplicates Z: 31 36.670 2.177 0.790 0.736 1.000 0.833 CA 1.391 31 residues pruned to eliminate duplicates Z: 42 37.996 2.141 0.708 0.694 0.951 0.756 CA 1.428 42 residues pruned to eliminate duplicates Z: 32 33.517 2.170 0.662 0.728 0.968 0.710 CA 1.404 32 residues pruned to eliminate duplicates Z: 45 38.218 2.168 0.577 0.721 1.000 0.841 CA 1.379 45 residues pruned to eliminate duplicates Z: 36 33.519 2.150 0.700 0.673 0.971 0.714 CA 1.360 36 residues pruned to eliminate duplicates Z: 30 40.932 2.207 0.962 0.756 1.000 0.793 CA 1.397 30 residues pruned to eliminate duplicates Z: 75 47.052 2.114 0.695 0.601 0.919 0.703 CA 1.508 75 residues pruned to eliminate duplicates Z: 51 46.118 2.164 0.833 0.692 0.980 0.820 CA 1.407 51 residues pruned to eliminate duplicates Z: 83 47.200 2.079 0.705 0.566 0.963 0.634 CB 1.432 83 residues pruned to eliminate duplicates Z: 32 35.073 2.173 0.852 0.730 0.968 0.742 CA 1.315 32 residues pruned to eliminate duplicates Z: 35 45.284 2.208 0.772 0.796 1.000 0.735 CA 1.532 35 residues pruned to eliminate duplicates Z: 46 40.569 2.156 0.775 0.649 0.956 0.667 CA 1.439 46 residues pruned to eliminate duplicates Z: 35 39.213 2.197 0.861 0.691 0.971 0.735 CA 1.424 35 residues pruned to eliminate duplicates Z: 35 42.295 2.193 0.865 0.715 1.000 0.735 CA 1.460 35 residues pruned to eliminate duplicates Z: 43 44.807 2.187 0.829 0.742 0.976 0.714 CA 1.426 43 residues pruned to eliminate duplicates Z: 45 35.695 2.053 0.808 0.599 0.955 0.705 CA 1.382 45 residues pruned to eliminate duplicates Z: 36 39.752 2.220 0.800 0.693 0.971 0.714 CA 1.451 36 residues pruned to eliminate duplicates Z: 39 35.878 2.167 0.759 0.644 0.974 0.658 CA 1.371 39 residues pruned to eliminate duplicates Z: 55 46.613 2.212 0.751 0.631 1.000 0.685 CA 1.447 55 residues pruned to eliminate duplicates Z: 45 47.027 2.231 0.873 0.662 1.000 0.705 CA 1.460 45 residues pruned to eliminate duplicates Z: 47 40.715 2.130 0.700 0.680 1.000 0.674 CA 1.405 47 residues pruned to eliminate duplicates Z: 43 43.734 2.180 0.805 0.728 0.976 0.786 CA 1.431 43 residues pruned to eliminate duplicates Z: 55 41.976 2.175 0.666 0.644 0.963 0.630 CA 1.431 55 residues pruned to eliminate duplicates Z: 43 42.917 2.180 0.695 0.745 1.000 0.738 CA 1.439 43 residues pruned to eliminate duplicates Z: 49 36.001 2.130 0.675 0.629 0.958 0.729 CA 1.346 49 residues pruned to eliminate duplicates Z: 43 38.645 2.176 0.809 0.606 0.929 0.476 CB 1.475 43 residues pruned to eliminate duplicates Z: 43 38.903 2.159 0.744 0.717 0.976 0.690 CA 1.342 43 residues pruned to eliminate duplicates Z: 62 46.787 2.188 0.716 0.608 0.951 0.557 CA 1.514 62 residues pruned to eliminate duplicates Z: 71 47.580 2.145 0.765 0.566 0.929 0.657 CA 1.517 71 residues pruned to eliminate duplicates Z: 74 50.038 2.129 0.724 0.599 0.973 0.575 CB 1.493 74 residues pruned to eliminate duplicates Z: 56 46.151 2.195 0.707 0.624 0.964 0.673 CA 1.533 56 residues pruned to eliminate duplicates Z: 13 12.165 2.192 0.690 0.290 0.917 0.417 CB 1.309 13 residues pruned to eliminate duplicates Z: 20 13.121 1.965 0.842 0.239 0.789 0.421 CB 1.426 20 residues pruned to eliminate duplicates Z: 53 45.613 2.150 0.807 0.658 1.000 0.615 CA 1.406 53 residues pruned to eliminate duplicates Z: 11 17.666 2.220 1.079 0.383 0.900 0.800 CB 1.524 11 residues pruned to eliminate duplicates Z: 29 25.753 2.131 0.709 0.458 0.893 0.500 CB 1.562 29 residues pruned to eliminate duplicates Z: 63 44.317 2.115 0.824 0.584 0.935 0.565 CB 1.439 63 residues pruned to eliminate duplicates Z: 22 17.127 2.036 0.719 0.374 0.905 0.333 CB 1.351 22 residues pruned to eliminate duplicates Z: 71 51.477 2.144 0.728 0.628 0.943 0.586 CB 1.561 71 residues pruned to eliminate duplicates Z: 94 50.639 2.118 0.759 0.547 0.925 0.624 CB 1.456 94 residues pruned to eliminate duplicates Z: 73 53.693 2.157 0.792 0.617 0.958 0.681 CA 1.530 73 residues pruned to eliminate duplicates Z: 46 32.482 2.139 0.728 0.541 0.911 0.533 CB 1.381 46 residues pruned to eliminate duplicates Z: 36 25.505 2.111 0.677 0.503 0.943 0.543 CB 1.288 36 residues pruned to eliminate duplicates Z: 24 21.542 2.144 0.890 0.339 0.870 0.348 CB 1.520 24 residues pruned to eliminate duplicates Z: 20 16.107 2.160 0.982 0.289 0.842 0.526 CB 1.299 20 residues pruned to eliminate duplicates Z: 30 25.673 2.128 0.829 0.461 0.897 0.414 CB 1.421 30 residues pruned to eliminate duplicates Z: 12 13.985 2.086 0.964 0.418 0.818 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 22 21.354 2.110 0.886 0.481 0.857 0.524 CB 1.392 22 residues pruned to eliminate duplicates Z: 81 52.976 2.152 0.755 0.583 0.963 0.562 CA 1.504 81 residues pruned to eliminate duplicates Z: 28 18.836 2.094 0.964 0.324 0.815 0.407 CB 1.312 28 residues pruned to eliminate duplicates Z: 65 48.344 2.168 0.826 0.580 0.938 0.547 CB 1.507 65 residues pruned to eliminate duplicates Z: 24 22.902 2.135 0.751 0.469 0.913 0.522 CB 1.443 24 residues pruned to eliminate duplicates Z: 31 26.339 2.102 0.856 0.432 0.900 0.600 CB 1.469 31 residues pruned to eliminate duplicates Z: 31 23.228 2.130 0.799 0.383 0.900 0.367 CB 1.392 31 residues pruned to eliminate duplicates Z: 16 12.885 1.847 0.503 0.572 0.867 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 15 17.741 1.945 0.586 0.594 1.000 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 15 23.052 1.950 0.672 0.695 1.000 0.500 CA 1.582 15 residues pruned to eliminate duplicates Z: 15 12.395 1.941 0.380 0.598 0.786 0.357 CA 1.435 15 residues pruned to eliminate duplicates Z: 22 25.587 2.114 0.848 0.536 0.952 0.667 CB 1.449 36 residues pruned to eliminate duplicates Z: 6 2.334 1.533 1.028 0.227 0.600 0.400 CA 0.770 6 residues pruned to eliminate duplicates Z: 9 7.425 1.860 0.648 0.417 0.875 0.375 CA 1.068 9 residues pruned to eliminate duplicates Z: 9 7.122 1.892 0.706 0.342 0.750 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 9 10.474 1.936 0.720 0.370 1.000 0.375 CB 1.278 22 residues pruned to eliminate duplicates Z: 10 16.400 1.783 0.738 0.773 1.000 0.444 CB 1.386 10 residues pruned to eliminate duplicates Z: 53 45.206 2.025 0.988 0.652 0.981 0.538 CB 1.378 53 residues pruned to eliminate duplicates Z: 28 31.565 2.071 1.002 0.538 0.926 0.556 CA 1.525 28 residues pruned to eliminate duplicates Z: 32 25.935 2.038 0.652 0.504 0.903 0.452 CA 1.527 32 residues pruned to eliminate duplicates Z: 76 45.984 2.024 0.867 0.548 0.947 0.667 CB 1.416 76 residues pruned to eliminate duplicates Z: 18 22.547 1.921 1.072 0.688 1.000 0.471 CB 1.156 18 residues pruned to eliminate duplicates Z: 65 45.400 2.058 0.947 0.589 0.906 0.609 CB 1.436 65 residues pruned to eliminate duplicates Z: 65 49.991 2.055 0.945 0.621 0.938 0.656 CB 1.488 65 residues pruned to eliminate duplicates Z: 22 18.951 1.876 0.823 0.586 0.905 0.476 CB 1.230 22 residues pruned to eliminate duplicates Z: 23 17.983 2.054 0.696 0.367 0.909 0.591 CA 1.396 23 residues pruned to eliminate duplicates Z: 65 36.568 2.006 0.748 0.526 0.938 0.500 CB 1.356 65 residues pruned to eliminate duplicates Z: 20 21.177 2.068 0.965 0.362 1.000 0.474 CA 1.387 20 residues pruned to eliminate duplicates Z: 20 16.791 2.068 0.757 0.360 0.895 0.526 CA 1.378 20 residues pruned to eliminate duplicates Z: 64 50.159 2.085 0.888 0.597 0.952 0.635 CB 1.536 64 residues pruned to eliminate duplicates Z: 67 47.226 2.048 0.918 0.598 0.939 0.561 CB 1.435 67 residues pruned to eliminate duplicates Z: 24 20.080 2.059 0.953 0.322 0.913 0.609 CA 1.387 24 residues pruned to eliminate duplicates Z: 20 17.928 2.061 0.783 0.332 0.947 0.474 CA 1.420 20 residues pruned to eliminate duplicates Z: 18 21.375 2.166 0.873 0.360 0.941 0.647 CA 1.579 18 residues pruned to eliminate duplicates Z: 65 48.286 2.070 0.883 0.588 0.953 0.516 CB 1.493 65 residues pruned to eliminate duplicates Z: 66 41.215 2.015 0.910 0.563 0.908 0.600 CB 1.377 66 residues pruned to eliminate duplicates Z: 20 16.521 2.034 0.842 0.281 0.895 0.421 CB 1.448 20 residues pruned to eliminate duplicates Z: 16 15.086 1.977 0.868 0.311 0.933 0.400 CA 1.394 16 residues pruned to eliminate duplicates Z: 69 44.830 2.027 0.853 0.563 0.941 0.662 CB 1.446 69 residues pruned to eliminate duplicates Z: 33 28.942 1.984 0.868 0.500 0.969 0.500 CA 1.426 33 residues pruned to eliminate duplicates Z: 66 48.524 2.054 0.927 0.586 0.969 0.677 CB 1.445 66 residues pruned to eliminate duplicates Z: 42 38.206 2.121 0.885 0.567 0.927 0.585 CA 1.510 38 residues pruned to eliminate duplicates Z: 6 3.240 1.618 0.804 0.437 1.000 0.600 CA 0.530 6 residues pruned to eliminate duplicates Z: 32 33.111 2.075 0.738 0.619 0.968 0.774 CB 1.522 32 residues pruned to eliminate duplicates Z: 37 36.073 2.094 0.615 0.658 0.972 0.722 CB 1.579 37 residues pruned to eliminate duplicates Z: 33 27.421 2.021 0.674 0.543 0.938 0.656 CB 1.464 33 residues pruned to eliminate duplicates Z: 42 34.959 2.025 0.807 0.592 0.927 0.756 CB 1.474 42 residues pruned to eliminate duplicates Z: 40 39.169 2.037 0.957 0.642 0.949 0.821 CB 1.452 40 residues pruned to eliminate duplicates Z: 35 36.531 2.115 0.770 0.625 0.941 0.647 CB 1.581 35 residues pruned to eliminate duplicates Z: 34 38.797 2.147 0.902 0.685 0.939 0.788 CB 1.485 34 residues pruned to eliminate duplicates Z: 37 35.911 2.088 0.812 0.618 0.917 0.694 CB 1.544 37 residues pruned to eliminate duplicates Z: 62 46.128 2.085 0.850 0.587 0.934 0.705 CB 1.506 60 residues pruned to eliminate duplicates Z: 22 32.111 2.032 0.641 0.894 1.000 0.952 CB 1.507 25 residues pruned to eliminate duplicates Z: 22 33.561 2.002 0.767 0.882 1.000 0.762 CB 1.498 22 residues pruned to eliminate duplicates Z: 35 39.470 2.052 0.981 0.678 0.971 0.794 CB 1.455 31 residues pruned to eliminate duplicates Z: 17 27.421 2.138 0.615 0.909 0.938 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 35 40.483 2.091 0.881 0.661 0.971 0.706 CB 1.566 35 residues pruned to eliminate duplicates Z: 31 37.155 2.102 0.929 0.618 0.967 0.567 CB 1.549 31 residues pruned to eliminate duplicates Z: 37 37.267 2.086 0.802 0.620 0.944 0.611 CB 1.562 37 residues pruned to eliminate duplicates Z: 37 39.095 2.091 0.884 0.637 0.944 0.750 CB 1.540 37 residues pruned to eliminate duplicates Z: 37 42.450 2.103 1.008 0.644 0.944 0.833 CB 1.551 38 residues pruned to eliminate duplicates Z: 21 39.659 2.068 0.934 0.929 1.000 0.900 CB 1.552 21 residues pruned to eliminate duplicates Z: 30 37.304 2.123 1.042 0.624 0.897 0.655 CB 1.585 30 residues pruned to eliminate duplicates Z: 34 42.550 2.124 0.975 0.705 0.970 0.818 CB 1.511 34 residues pruned to eliminate duplicates Z: 37 38.983 2.090 0.937 0.615 0.917 0.694 CB 1.570 37 residues pruned to eliminate duplicates Z: 22 40.198 2.029 0.998 0.930 1.000 0.857 CB 1.512 22 residues pruned to eliminate duplicates Z: 59 41.122 2.042 0.886 0.513 0.914 0.569 CA 1.514 59 residues pruned to eliminate duplicates Z: 37 42.715 2.089 1.042 0.645 0.944 0.778 CB 1.544 37 residues pruned to eliminate duplicates Z: 24 37.448 2.067 0.949 0.833 1.000 0.565 CB 1.454 25 residues pruned to eliminate duplicates Z: 24 37.496 2.046 0.897 0.838 1.000 0.826 CB 1.506 24 residues pruned to eliminate duplicates Z: 35 39.596 2.133 0.819 0.667 0.941 0.735 CB 1.594 35 residues pruned to eliminate duplicates Z: 39 35.898 2.050 0.937 0.612 0.921 0.711 CB 1.432 39 residues pruned to eliminate duplicates Z: 53 46.044 2.041 0.956 0.672 0.962 0.596 CB 1.420 53 residues pruned to eliminate duplicates Z: 36 40.828 2.093 1.000 0.651 0.943 0.714 CB 1.520 36 residues pruned to eliminate duplicates Z: 9 5.221 1.609 0.339 0.518 0.875 0.875 CB 0.962 9 residues pruned to eliminate duplicates Z: 9 8.015 1.722 0.500 0.525 0.875 0.625 CB 1.224 9 residues pruned to eliminate duplicates 6 1.281 1.220 0.196 0.430 0.800 0.800 CA 0.528 ? Z: 6 4.066 1.619 0.744 0.191 0.800 0.400 CA 1.165 6 residues pruned to eliminate duplicates Z: 17 14.125 1.840 0.956 0.303 0.938 0.500 CA 1.303 16 residues pruned to eliminate duplicates Z: 6 4.253 1.575 0.293 0.310 1.000 0.400 N 1.153 6 residues pruned to eliminate duplicates Z: 9 9.023 2.039 0.567 0.286 0.875 0.250 CB 1.452 9 residues pruned to eliminate duplicates Z: 16 12.187 2.007 0.850 0.280 0.733 0.267 CB 1.481 16 residues pruned to eliminate duplicates 750 residues left after pruning, divided into chains as follows: A: 16 B: 6 C: 7 D: 6 E: 7 F: 8 G: 10 H: 18 I: 6 J: 18 K: 7 L: 9 M: 20 N: 19 O: 35 P: 155 Q: 90 R: 27 S: 43 T: 8 U: 155 V: 8 W: 63 X: 9 CC for partial structure against native data = 28.45 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.300, Contrast = 0.383, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.442, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.524, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6474 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1315 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 35 24.074 2.044 0.488 0.501 0.941 0.588 CB 1.441 B: 12 12.875 1.737 0.525 0.684 0.909 0.455 CB 1.362 C: 18 15.366 1.924 0.650 0.440 0.882 0.588 CB 1.417 D: 10 13.369 2.305 0.033 0.887 1.000 0.889 CB 1.349 E: 13 22.260 2.083 0.663 0.903 1.000 0.583 CB 1.322 F: 10 25.936 2.184 0.819 0.914 1.000 0.889 CA 1.538 13 residues pruned to eliminate duplicates G: 19 10.828 2.023 0.536 0.290 0.833 0.500 CB 1.248 H: 18 13.978 2.046 0.619 0.375 0.882 0.588 CB 1.326 I: 72 51.933 2.153 0.861 0.589 0.930 0.577 CB 1.519 18 residues pruned to eliminate duplicates J: 11 18.558 2.258 0.239 0.601 1.000 0.600 CA 1.906 K: 21 36.729 2.077 0.895 0.939 0.950 0.900 CB 1.527 L: 12 13.648 2.063 0.182 0.922 1.000 1.000 CB 1.186 12 residues pruned to eliminate duplicates M: 12 19.221 2.114 0.468 0.862 1.000 0.727 CB 1.371 12 residues pruned to eliminate duplicates N: 6 7.693 1.922 0.241 0.731 0.800 0.600 O 1.464 O: 11 24.422 2.134 0.857 0.924 1.000 0.800 CB 1.369 11 residues pruned to eliminate duplicates P: 10 21.976 2.138 0.612 0.902 1.000 0.889 CA 1.516 10 residues pruned to eliminate duplicates Q: 9 15.795 1.928 0.552 0.805 0.875 0.750 CB 1.634 6 residues pruned to eliminate duplicates R: 19 30.574 2.129 0.750 0.927 1.000 0.722 CB 1.355 10 residues pruned to eliminate duplicates S: 22 27.553 2.084 0.496 0.922 0.952 0.476 CB 1.425 21 residues pruned to eliminate duplicates T: 15 17.322 2.055 0.549 0.562 1.000 0.857 CB 1.369 14 residues pruned to eliminate duplicates U: 10 17.581 2.156 0.419 0.892 0.889 0.889 CA 1.549 10 residues pruned to eliminate duplicates V: 16 13.441 2.015 0.323 0.464 0.867 0.667 CA 1.559 9 residues pruned to eliminate duplicates W: 10 4.531 1.549 0.490 0.191 0.778 0.556 CB 1.217 X: 47 29.775 2.035 0.611 0.464 0.935 0.543 CA 1.486 25 residues pruned to eliminate duplicates Y: 53 41.395 2.024 0.835 0.670 0.962 0.808 CB 1.373 21 residues pruned to eliminate duplicates Z: 21 23.913 1.852 0.603 0.811 0.950 0.750 CA 1.446 21 residues pruned to eliminate duplicates Z: 10 12.100 1.881 0.515 0.781 0.778 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 20 45.006 2.282 0.898 0.937 1.000 0.684 CB 1.658 20 residues pruned to eliminate duplicates Z: 7 17.432 2.072 0.770 0.784 0.833 0.500 CB 1.813 7 residues pruned to eliminate duplicates Z: 22 28.015 2.015 0.622 0.862 1.000 0.667 CB 1.374 19 residues pruned to eliminate duplicates Z: 21 31.393 2.070 0.646 0.921 1.000 0.950 CB 1.450 21 residues pruned to eliminate duplicates Z: 18 35.515 2.243 0.814 0.875 0.941 0.765 CB 1.636 18 residues pruned to eliminate duplicates Z: 36 17.564 1.983 0.517 0.348 0.886 0.514 CB 1.314 22 residues pruned to eliminate duplicates Z: 23 39.872 2.007 0.877 0.925 1.000 0.955 CA 1.584 23 residues pruned to eliminate duplicates Z: 21 36.682 2.238 0.635 0.924 1.000 0.850 CA 1.575 21 residues pruned to eliminate duplicates Z: 19 12.392 1.775 0.561 0.633 0.889 0.611 CB 1.047 19 residues pruned to eliminate duplicates Z: 21 46.379 2.288 0.946 0.934 0.950 0.500 CB 1.709 21 residues pruned to eliminate duplicates Z: 21 37.100 2.084 1.056 0.936 0.950 0.650 CB 1.419 21 residues pruned to eliminate duplicates Z: 12 15.413 1.923 0.475 0.840 0.909 0.818 CA 1.345 12 residues pruned to eliminate duplicates Z: 12 14.616 2.002 0.604 0.876 0.909 0.818 CB 1.097 12 residues pruned to eliminate duplicates Z: 10 11.803 1.809 0.325 0.757 0.889 0.667 CA 1.470 10 residues pruned to eliminate duplicates Z: 20 22.004 2.038 0.652 0.882 0.895 0.684 CA 1.212 Z: 20 22.452 1.951 0.594 0.790 0.895 0.526 CA 1.435 19 residues pruned to eliminate duplicates Z: 21 27.268 2.016 0.608 0.926 1.000 0.750 CB 1.319 21 residues pruned to eliminate duplicates Z: 70 39.530 2.034 0.583 0.633 0.928 0.623 CB 1.407 43 residues pruned to eliminate duplicates Z: 14 15.149 1.901 0.788 0.504 0.846 0.615 CB 1.455 Z: 26 13.860 1.945 0.397 0.402 0.880 0.560 CB 1.286 19 residues pruned to eliminate duplicates Z: 38 32.060 2.020 0.564 0.692 0.946 0.757 CB 1.480 22 residues pruned to eliminate duplicates Z: 6 13.765 2.392 0.818 0.460 0.800 0.600 CB 1.842 6 residues pruned to eliminate duplicates Z: 9 11.446 1.816 0.668 0.714 0.875 0.750 CB 1.258 Z: 21 24.378 1.928 0.506 0.839 0.900 0.700 CA 1.557 21 residues pruned to eliminate duplicates Z: 18 25.358 2.051 0.640 0.888 1.000 0.882 CA 1.317 18 residues pruned to eliminate duplicates Z: 22 39.483 2.219 0.726 0.915 1.000 0.619 CA 1.590 22 residues pruned to eliminate duplicates Z: 21 31.368 1.995 0.632 0.935 1.000 0.800 CB 1.501 21 residues pruned to eliminate duplicates Z: 21 40.377 2.267 0.673 0.939 1.000 1.000 CB 1.654 21 residues pruned to eliminate duplicates Z: 27 19.310 1.809 0.859 0.540 0.808 0.462 CB 1.341 27 residues pruned to eliminate duplicates Z: 21 13.414 2.019 0.410 0.488 0.800 0.550 CB 1.334 21 residues pruned to eliminate duplicates Z: 15 14.100 1.861 0.564 0.358 0.929 0.643 C 1.625 13 residues pruned to eliminate duplicates Z: 33 22.257 2.039 0.665 0.478 0.875 0.594 CB 1.354 9 residues pruned to eliminate duplicates Z: 17 9.290 1.797 0.423 0.398 0.875 0.438 CB 1.155 Z: 22 38.395 2.182 0.699 0.906 1.000 0.857 CA 1.607 22 residues pruned to eliminate duplicates Z: 18 12.248 1.708 0.691 0.552 0.824 0.471 CB 1.188 17 residues pruned to eliminate duplicates Z: 52 44.056 2.058 0.822 0.703 0.941 0.686 CB 1.453 52 residues pruned to eliminate duplicates Z: 34 21.360 2.070 0.345 0.460 0.909 0.606 CA 1.531 35 residues pruned to eliminate duplicates Z: 24 17.482 2.045 0.761 0.312 0.913 0.435 CB 1.365 24 residues pruned to eliminate duplicates Z: 30 19.128 2.074 0.690 0.400 0.862 0.379 CB 1.307 30 residues pruned to eliminate duplicates Z: 17 24.515 2.141 0.622 0.889 1.000 0.688 CB 1.271 17 residues pruned to eliminate duplicates Z: 23 18.172 1.883 0.502 0.624 0.955 0.545 CB 1.277 23 residues pruned to eliminate duplicates Z: 19 9.383 1.850 0.618 0.369 0.833 0.500 CB 1.021 Z: 20 39.863 2.285 0.759 0.915 1.000 0.842 CB 1.608 20 residues pruned to eliminate duplicates Z: 12 6.984 1.916 0.474 0.239 0.818 0.273 CB 1.234 10 residues pruned to eliminate duplicates Z: 20 41.196 2.137 0.975 0.957 1.000 0.632 CB 1.537 20 residues pruned to eliminate duplicates Z: 14 6.401 2.082 0.253 0.392 0.538 0.462 CB 1.417 Z: 10 11.199 1.799 0.221 0.810 0.889 0.444 CA 1.459 10 residues pruned to eliminate duplicates Z: 30 17.335 1.911 0.450 0.440 0.897 0.621 CB 1.379 17 residues pruned to eliminate duplicates Z: 6 2.025 1.633 -0.209 0.410 0.800 0.400 CB 0.962 Z: 13 8.008 1.844 0.296 0.435 0.917 0.417 CB 1.129 Z: 21 31.837 2.010 0.678 0.912 1.000 0.750 CA 1.495 21 residues pruned to eliminate duplicates Z: 35 24.901 2.024 0.511 0.496 0.971 0.676 CB 1.445 35 residues pruned to eliminate duplicates Z: 28 15.280 1.896 0.342 0.466 0.852 0.556 CA 1.405 27 residues pruned to eliminate duplicates Z: 18 38.136 2.142 0.916 0.918 1.000 0.765 CB 1.589 18 residues pruned to eliminate duplicates Z: 25 16.280 2.059 0.811 0.389 0.833 0.625 CB 1.203 21 residues pruned to eliminate duplicates Z: 14 7.433 2.125 0.364 0.409 0.538 0.462 CB 1.454 14 residues pruned to eliminate duplicates Z: 9 3.351 1.791 0.467 0.318 0.625 0.500 CA 0.883 9 residues pruned to eliminate duplicates Z: 22 38.516 2.204 0.709 0.922 1.000 0.714 CB 1.569 22 residues pruned to eliminate duplicates Z: 21 29.636 1.952 0.879 0.929 1.000 0.800 CB 1.264 21 residues pruned to eliminate duplicates Z: 27 10.673 1.760 0.375 0.421 0.769 0.615 CA 1.220 17 residues pruned to eliminate duplicates Z: 18 40.551 2.139 1.231 0.899 0.941 0.765 CB 1.565 18 residues pruned to eliminate duplicates Z: 20 43.295 2.259 1.004 0.918 0.947 0.842 CB 1.633 20 residues pruned to eliminate duplicates Z: 19 22.674 2.047 0.375 0.930 1.000 0.889 CA 1.328 19 residues pruned to eliminate duplicates Z: 21 10.320 1.957 0.165 0.359 0.850 0.700 CB 1.386 Z: 27 12.124 1.962 0.175 0.400 0.885 0.615 CB 1.295 21 residues pruned to eliminate duplicates Z: 28 15.803 2.079 0.462 0.337 0.778 0.481 CA 1.538 26 residues pruned to eliminate duplicates Z: 74 49.194 2.131 0.712 0.600 0.973 0.616 CB 1.475 77 residues pruned to eliminate duplicates Z: 26 18.151 2.079 0.767 0.390 0.800 0.520 CB 1.388 26 residues pruned to eliminate duplicates Z: 22 35.947 1.965 0.950 0.909 1.000 0.714 CB 1.454 22 residues pruned to eliminate duplicates Z: 9 16.064 1.952 0.392 0.838 1.000 0.500 CA 1.562 10 residues pruned to eliminate duplicates Z: 32 15.325 1.893 0.358 0.400 0.968 0.484 CB 1.229 32 residues pruned to eliminate duplicates Z: 11 5.315 1.585 0.670 0.416 0.700 0.600 CB 0.991 Z: 32 20.675 2.025 0.600 0.376 0.903 0.581 CA 1.448 32 residues pruned to eliminate duplicates Z: 13 20.354 2.108 0.911 0.584 0.917 0.500 CB 1.467 17 residues pruned to eliminate duplicates Z: 11 5.711 2.029 0.316 0.325 0.900 0.500 CA 0.910 11 residues pruned to eliminate duplicates Z: 14 25.546 2.224 0.650 0.899 0.923 0.923 CB 1.495 14 residues pruned to eliminate duplicates Z: 15 16.088 1.987 0.438 0.605 1.000 0.643 CB 1.362 Z: 8 6.399 1.821 0.229 0.553 0.857 0.571 CB 1.197 Z: 7 12.540 1.912 0.825 0.873 0.833 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 14 13.211 2.169 0.222 0.518 0.923 0.615 CA 1.471 14 residues pruned to eliminate duplicates Z: 12 17.567 2.067 0.540 0.888 1.000 0.818 CB 1.198 12 residues pruned to eliminate duplicates Z: 34 19.674 1.964 0.477 0.455 0.848 0.485 CA 1.457 34 residues pruned to eliminate duplicates Z: 20 45.256 2.290 0.974 0.918 1.000 0.474 CB 1.619 20 residues pruned to eliminate duplicates Z: 21 10.877 1.936 0.519 0.286 0.850 0.500 CB 1.239 8 residues pruned to eliminate duplicates Z: 34 23.204 2.058 0.462 0.474 0.939 0.667 CB 1.467 34 residues pruned to eliminate duplicates Z: 22 11.597 1.909 0.274 0.398 0.714 0.429 CA 1.623 23 residues pruned to eliminate duplicates Z: 8 7.009 2.019 0.089 0.388 0.857 0.571 CA 1.583 8 residues pruned to eliminate duplicates Z: 21 21.306 2.037 0.278 0.883 1.000 0.800 CB 1.322 22 residues pruned to eliminate duplicates Z: 7 8.465 1.700 0.450 0.692 0.833 0.667 CA 1.411 Z: 28 15.825 2.018 0.602 0.443 0.741 0.556 CB 1.349 28 residues pruned to eliminate duplicates Z: 24 11.282 1.721 0.536 0.442 0.913 0.478 CB 1.035 13 residues pruned to eliminate duplicates Z: 34 25.445 2.076 0.489 0.491 0.970 0.667 CB 1.491 34 residues pruned to eliminate duplicates Z: 13 15.104 1.898 1.156 0.446 0.917 0.583 CB 1.229 16 residues pruned to eliminate duplicates Z: 23 13.385 1.747 0.370 0.440 0.955 0.727 CA 1.329 Z: 22 38.857 2.154 0.865 0.883 1.000 0.714 CA 1.526 22 residues pruned to eliminate duplicates Z: 11 9.388 2.130 0.393 0.486 0.700 0.400 CB 1.451 12 residues pruned to eliminate duplicates Z: 21 29.293 2.119 0.511 0.900 1.000 0.700 CB 1.461 21 residues pruned to eliminate duplicates Z: 12 17.635 2.067 0.924 0.824 0.818 0.545 CB 1.234 12 residues pruned to eliminate duplicates Z: 9 5.852 1.757 0.382 0.494 0.750 0.500 CA 1.142 Z: 19 10.904 1.810 0.442 0.456 0.944 0.500 CB 1.091 19 residues pruned to eliminate duplicates Z: 27 10.865 1.953 0.184 0.386 0.846 0.577 CB 1.230 27 residues pruned to eliminate duplicates Z: 8 3.285 1.682 0.553 0.513 0.571 0.571 CB 0.821 Z: 66 25.595 2.007 0.481 0.369 0.862 0.554 CB 1.426 77 residues pruned to eliminate duplicates Z: 10 7.443 1.692 0.628 0.525 0.889 0.667 CB 0.989 7 residues pruned to eliminate duplicates Z: 21 15.704 2.028 0.493 0.565 0.800 0.650 CB 1.361 21 residues pruned to eliminate duplicates Z: 10 19.109 1.853 0.619 0.872 1.000 0.778 CA 1.547 9 residues pruned to eliminate duplicates Z: 34 31.591 2.066 0.524 0.698 0.970 0.788 CA 1.503 34 residues pruned to eliminate duplicates Z: 34 19.677 1.974 0.444 0.514 0.848 0.606 CB 1.395 21 residues pruned to eliminate duplicates Z: 11 11.128 1.787 0.478 0.748 0.800 0.700 CB 1.334 9 residues pruned to eliminate duplicates Z: 20 18.751 2.029 0.492 0.520 0.947 0.579 CB 1.471 19 residues pruned to eliminate duplicates Z: 13 7.994 2.146 0.340 0.361 0.667 0.500 CB 1.399 13 residues pruned to eliminate duplicates Z: 8 4.727 1.745 0.493 0.211 0.857 0.429 N 1.126 8 residues pruned to eliminate duplicates Z: 8 7.306 1.611 0.518 0.546 1.000 0.857 CB 1.079 Z: 10 3.877 1.652 -0.002 0.525 0.778 0.556 CB 0.983 Z: 9 13.172 1.898 0.625 0.903 1.000 0.750 CB 1.076 9 residues pruned to eliminate duplicates Z: 9 9.401 1.859 0.677 0.452 0.875 0.750 CB 1.279 9 residues pruned to eliminate duplicates Z: 25 14.740 1.813 0.475 0.503 0.958 0.708 CB 1.171 27 residues pruned to eliminate duplicates Z: 21 36.026 2.227 0.661 0.918 1.000 0.950 CA 1.536 21 residues pruned to eliminate duplicates Z: 8 3.597 1.768 0.282 0.212 0.714 0.286 CA 1.180 8 residues pruned to eliminate duplicates Z: 53 40.771 2.023 0.731 0.671 0.962 0.692 CA 1.434 53 residues pruned to eliminate duplicates Z: 15 13.332 1.911 0.582 0.625 0.857 0.643 CB 1.222 15 residues pruned to eliminate duplicates Z: 14 12.606 2.128 0.448 0.459 0.769 0.615 CA 1.537 14 residues pruned to eliminate duplicates Z: 12 17.784 2.078 0.727 0.603 0.909 0.727 CB 1.491 12 residues pruned to eliminate duplicates Z: 14 15.282 2.007 0.646 0.564 0.923 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 10 14.006 1.841 0.413 0.901 1.000 0.889 CB 1.282 10 residues pruned to eliminate duplicates Z: 61 33.259 2.039 0.583 0.504 0.917 0.600 CB 1.446 63 residues pruned to eliminate duplicates Z: 20 25.400 2.054 0.450 0.911 1.000 0.947 CB 1.387 20 residues pruned to eliminate duplicates Z: 14 10.143 1.835 0.692 0.379 0.923 0.538 CB 1.117 Z: 19 21.043 1.998 0.320 0.933 1.000 0.944 CA 1.312 19 residues pruned to eliminate duplicates Z: 23 19.598 2.037 0.857 0.406 0.955 0.409 CB 1.278 22 residues pruned to eliminate duplicates Z: 10 11.357 2.026 0.621 0.546 0.778 0.778 CB 1.417 10 residues pruned to eliminate duplicates Z: 15 10.055 1.943 0.347 0.362 0.929 0.429 CB 1.282 15 residues pruned to eliminate duplicates Z: 35 14.581 1.859 0.614 0.301 0.824 0.559 CB 1.264 35 residues pruned to eliminate duplicates Z: 31 22.733 1.982 0.578 0.515 0.900 0.467 CA 1.453 31 residues pruned to eliminate duplicates Z: 10 13.958 1.750 0.638 0.868 1.000 0.889 CA 1.186 14 residues pruned to eliminate duplicates Z: 22 40.285 2.027 1.098 0.936 1.000 0.810 CB 1.440 22 residues pruned to eliminate duplicates Z: 14 9.700 1.772 0.899 0.391 0.769 0.462 CB 1.166 14 residues pruned to eliminate duplicates Z: 7 5.472 1.981 0.019 0.557 0.833 0.833 CB 1.256 Z: 10 8.722 1.837 0.415 0.515 1.000 0.556 CB 1.102 10 residues pruned to eliminate duplicates Z: 10 16.576 1.701 0.886 0.901 1.000 0.778 CA 1.229 10 residues pruned to eliminate duplicates Z: 7 5.716 1.636 0.241 0.641 1.000 0.667 CB 1.007 Z: 68 23.831 1.958 0.399 0.384 0.836 0.493 CB 1.439 68 residues pruned to eliminate duplicates Z: 22 42.433 2.209 0.829 0.908 1.000 0.857 CB 1.628 22 residues pruned to eliminate duplicates Z: 21 16.350 1.991 0.395 0.433 1.000 0.450 CA 1.411 21 residues pruned to eliminate duplicates Z: 21 12.813 2.002 0.581 0.438 0.850 0.350 CB 1.135 21 residues pruned to eliminate duplicates Z: 12 4.216 1.666 0.286 0.354 0.727 0.273 CB 0.955 Z: 14 22.477 1.906 1.069 0.886 0.923 0.846 CB 1.235 14 residues pruned to eliminate duplicates Z: 17 11.107 1.961 0.201 0.455 0.938 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 21 34.914 2.092 0.944 0.924 0.950 0.550 CB 1.418 21 residues pruned to eliminate duplicates Z: 27 16.768 1.926 0.323 0.577 0.885 0.654 CB 1.354 27 residues pruned to eliminate duplicates Z: 11 20.479 2.118 1.032 0.876 1.000 0.600 CB 1.093 11 residues pruned to eliminate duplicates Z: 8 8.812 1.553 0.569 0.827 0.857 0.714 CB 1.202 8 residues pruned to eliminate duplicates Z: 12 8.330 1.803 0.478 0.466 0.909 0.727 CB 1.073 Z: 25 12.981 1.940 0.261 0.403 0.917 0.667 CB 1.308 25 residues pruned to eliminate duplicates Z: 21 31.554 1.999 0.675 0.906 1.000 0.850 CA 1.499 21 residues pruned to eliminate duplicates Z: 23 13.208 1.963 0.366 0.480 0.864 0.545 CA 1.241 23 residues pruned to eliminate duplicates Z: 23 22.195 1.993 0.709 0.563 0.955 0.545 CB 1.369 23 residues pruned to eliminate duplicates Z: 12 13.718 1.862 0.625 0.534 1.000 0.727 CA 1.322 12 residues pruned to eliminate duplicates Z: 7 6.786 1.885 0.143 0.832 0.667 0.667 CA 1.448 7 residues pruned to eliminate duplicates Z: 21 21.332 2.012 1.153 0.426 0.900 0.550 CA 1.321 19 residues pruned to eliminate duplicates Z: 16 9.355 1.809 0.188 0.485 0.867 0.600 CB 1.316 16 residues pruned to eliminate duplicates Z: 18 9.852 1.981 0.263 0.446 0.765 0.529 CB 1.320 13 residues pruned to eliminate duplicates Z: 25 15.495 2.040 0.653 0.337 0.875 0.583 CB 1.281 25 residues pruned to eliminate duplicates Z: 22 32.103 1.966 0.842 0.901 1.000 0.905 CB 1.380 22 residues pruned to eliminate duplicates Z: 18 19.174 2.057 0.590 0.543 0.882 0.529 CA 1.546 18 residues pruned to eliminate duplicates Z: 76 40.026 2.027 0.585 0.559 0.947 0.653 CB 1.434 76 residues pruned to eliminate duplicates Z: 28 13.044 1.824 0.391 0.415 0.815 0.556 CA 1.327 28 residues pruned to eliminate duplicates Z: 35 21.528 2.005 0.486 0.458 0.912 0.559 CB 1.419 35 residues pruned to eliminate duplicates Z: 7 5.556 1.808 0.037 0.539 0.833 0.333 N 1.396 Z: 21 12.013 1.757 0.605 0.453 0.850 0.700 CA 1.176 21 residues pruned to eliminate duplicates Z: 11 24.322 2.147 0.833 0.874 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 23 24.622 1.937 0.400 0.903 1.000 1.000 CB 1.380 23 residues pruned to eliminate duplicates Z: 20 11.916 1.905 0.226 0.400 0.947 0.579 CB 1.373 20 residues pruned to eliminate duplicates Z: 38 37.064 2.035 0.793 0.645 0.973 0.757 CB 1.499 38 residues pruned to eliminate duplicates Z: 21 36.171 2.042 0.840 0.917 1.000 0.700 CB 1.519 21 residues pruned to eliminate duplicates Z: 6 6.421 1.768 0.052 0.888 1.000 1.000 CA 1.113 6 residues pruned to eliminate duplicates Z: 34 22.450 2.038 0.535 0.455 0.879 0.636 CB 1.488 33 residues pruned to eliminate duplicates Z: 17 29.652 2.178 0.847 0.860 0.875 0.500 CB 1.548 17 residues pruned to eliminate duplicates Z: 23 28.250 1.911 0.715 0.866 0.909 0.773 CB 1.480 23 residues pruned to eliminate duplicates Z: 36 20.372 1.970 0.482 0.467 0.886 0.571 CA 1.377 36 residues pruned to eliminate duplicates Z: 27 14.509 2.022 0.348 0.391 0.885 0.577 CB 1.324 27 residues pruned to eliminate duplicates Z: 22 37.360 2.038 0.868 0.904 1.000 0.762 CB 1.525 22 residues pruned to eliminate duplicates Z: 76 42.092 2.067 0.540 0.591 0.960 0.600 CB 1.458 76 residues pruned to eliminate duplicates Z: 27 17.064 1.975 0.608 0.503 0.769 0.500 CA 1.366 27 residues pruned to eliminate duplicates Z: 21 21.143 1.949 0.214 0.927 1.000 0.950 CA 1.401 21 residues pruned to eliminate duplicates Z: 29 18.704 2.129 0.602 0.391 0.821 0.464 CB 1.416 29 residues pruned to eliminate duplicates Z: 7 6.617 1.568 0.430 0.756 1.000 0.667 CB 0.960 7 residues pruned to eliminate duplicates Z: 36 21.892 1.953 0.541 0.430 0.971 0.629 CB 1.362 36 residues pruned to eliminate duplicates Z: 7 4.465 1.696 0.141 0.454 0.833 0.667 CB 1.185 4 residues pruned to eliminate duplicates Z: 12 8.979 1.912 0.604 0.397 0.818 0.636 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 7.350 1.842 0.413 0.382 0.727 0.727 CB 1.326 12 residues pruned to eliminate duplicates Z: 27 12.051 2.015 0.328 0.319 0.808 0.577 CB 1.336 27 residues pruned to eliminate duplicates Z: 8 4.856 1.682 0.376 0.309 0.857 0.571 CA 1.144 8 residues pruned to eliminate duplicates Z: 8 4.822 1.661 0.321 0.311 0.857 0.714 CA 1.194 8 residues pruned to eliminate duplicates Z: 12 11.419 2.028 0.393 0.443 0.818 0.636 CB 1.581 12 residues pruned to eliminate duplicates Z: 23 40.924 1.998 0.943 0.928 1.000 0.864 CB 1.574 23 residues pruned to eliminate duplicates Z: 12 11.947 1.715 0.285 0.907 1.000 0.909 CB 1.162 12 residues pruned to eliminate duplicates Z: 22 35.411 2.016 0.865 0.900 0.952 0.571 CA 1.542 22 residues pruned to eliminate duplicates Z: 22 36.258 2.022 0.852 0.920 1.000 0.762 CB 1.488 22 residues pruned to eliminate duplicates Z: 17 9.413 1.860 0.629 0.306 0.812 0.500 CB 1.186 15 residues pruned to eliminate duplicates Z: 12 9.224 1.912 0.255 0.472 0.909 0.545 CB 1.311 Z: 54 34.504 2.008 0.515 0.637 0.906 0.604 CB 1.512 54 residues pruned to eliminate duplicates Z: 13 10.102 1.824 0.277 0.459 1.000 0.583 CB 1.305 13 residues pruned to eliminate duplicates Z: 14 14.212 1.963 0.552 0.653 0.923 0.692 CB 1.215 14 residues pruned to eliminate duplicates Z: 18 25.046 1.971 0.680 0.909 0.941 0.529 CA 1.383 18 residues pruned to eliminate duplicates Z: 35 19.449 1.958 0.350 0.469 0.912 0.559 CB 1.427 35 residues pruned to eliminate duplicates Z: 10 10.020 1.902 0.258 0.563 0.889 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 17 12.589 2.145 0.495 0.353 0.812 0.500 CB 1.416 17 residues pruned to eliminate duplicates Z: 21 31.761 2.048 0.778 0.917 1.000 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 20 33.586 2.094 0.955 0.917 1.000 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 9 3.308 1.528 0.213 0.482 0.750 0.625 CB 0.857 9 residues pruned to eliminate duplicates Z: 7 2.669 1.533 0.266 0.246 0.667 0.333 N 1.129 Z: 12 6.472 1.646 0.460 0.406 0.909 0.636 CB 0.986 12 residues pruned to eliminate duplicates Z: 47 26.980 1.961 0.546 0.555 0.935 0.630 CA 1.330 47 residues pruned to eliminate duplicates Z: 13 6.344 1.510 0.598 0.374 0.917 0.417 CB 0.947 Z: 8 5.082 1.930 0.441 0.473 0.714 0.571 CB 0.994 8 residues pruned to eliminate duplicates Z: 30 16.355 1.921 0.631 0.361 0.862 0.586 CB 1.306 18 residues pruned to eliminate duplicates Z: 10 6.180 1.880 0.246 0.460 0.778 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 20 10.427 1.814 0.654 0.422 0.895 0.632 CB 0.966 7 residues pruned to eliminate duplicates Z: 7 6.799 1.775 0.609 0.518 0.667 0.333 N 1.433 7 residues pruned to eliminate duplicates Z: 18 20.619 1.944 0.417 0.854 0.941 0.706 CA 1.425 18 residues pruned to eliminate duplicates Z: 8 5.679 1.647 0.610 0.433 0.857 0.429 CA 1.013 Z: 8 4.511 1.509 0.478 0.628 0.714 0.714 CB 0.949 Z: 8 5.815 1.997 0.396 0.383 0.857 0.143 CB 1.041 8 residues pruned to eliminate duplicates Z: 13 12.712 1.973 0.523 0.437 0.917 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 32 13.022 1.782 0.362 0.404 0.903 0.484 CB 1.181 25 residues pruned to eliminate duplicates Z: 8 5.865 1.783 0.421 0.554 0.714 0.571 CA 1.162 8 residues pruned to eliminate duplicates Z: 23 12.915 1.975 0.869 0.270 0.818 0.500 CA 1.185 23 residues pruned to eliminate duplicates Z: 11 14.007 1.735 0.760 0.645 0.900 0.700 CA 1.408 11 residues pruned to eliminate duplicates Z: 7 9.983 1.729 0.901 0.587 1.000 0.833 CB 1.141 Z: 19 11.272 1.901 0.195 0.537 0.833 0.611 CB 1.353 19 residues pruned to eliminate duplicates Z: 20 28.804 2.047 0.607 0.913 1.000 0.526 CA 1.422 20 residues pruned to eliminate duplicates Z: 9 2.700 1.461 0.239 0.343 0.750 0.375 CB 0.833 Z: 12 6.865 1.907 0.880 0.318 0.727 0.364 CB 0.970 12 residues pruned to eliminate duplicates Z: 14 3.913 1.665 0.132 0.241 0.769 0.615 CB 1.011 14 residues pruned to eliminate duplicates Z: 14 6.420 1.651 0.152 0.361 1.000 0.692 CA 1.088 14 residues pruned to eliminate duplicates Z: 20 35.257 2.059 0.830 0.927 1.000 0.632 CA 1.503 20 residues pruned to eliminate duplicates Z: 40 24.337 2.078 0.687 0.448 0.923 0.487 CB 1.270 40 residues pruned to eliminate duplicates Z: 7 8.714 1.581 0.549 0.772 1.000 0.833 CA 1.142 7 residues pruned to eliminate duplicates Z: 7 11.670 1.975 0.559 0.621 0.833 0.833 CB 1.657 7 residues pruned to eliminate duplicates Z: 9 4.897 1.777 0.263 0.505 0.750 0.625 CB 1.024 10 residues pruned to eliminate duplicates Z: 42 29.249 2.106 0.704 0.512 0.878 0.512 CB 1.433 42 residues pruned to eliminate duplicates Z: 33 32.025 2.091 0.612 0.648 0.969 0.812 CB 1.510 33 residues pruned to eliminate duplicates Z: 12 14.697 1.940 0.642 0.878 1.000 0.636 CB 1.009 12 residues pruned to eliminate duplicates Z: 6 7.466 2.121 0.017 0.771 0.800 0.600 CB 1.522 6 residues pruned to eliminate duplicates Z: 91 43.130 2.031 0.575 0.528 0.922 0.589 CA 1.499 91 residues pruned to eliminate duplicates Z: 24 10.044 1.970 0.266 0.339 0.783 0.435 CB 1.280 24 residues pruned to eliminate duplicates Z: 10 9.987 1.908 0.602 0.526 0.889 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 28 18.116 2.022 0.685 0.426 0.852 0.556 CB 1.297 28 residues pruned to eliminate duplicates Z: 10 14.981 1.842 0.733 0.843 1.000 0.556 CA 1.165 10 residues pruned to eliminate duplicates Z: 35 20.501 2.005 0.481 0.448 0.912 0.647 CB 1.370 37 residues pruned to eliminate duplicates Z: 26 13.564 1.711 0.422 0.463 0.920 0.440 CA 1.259 26 residues pruned to eliminate duplicates Z: 8 5.644 1.740 0.223 0.428 1.000 0.571 CB 1.080 Z: 8 2.995 1.382 0.676 0.307 0.571 0.143 CB 1.060 Z: 11 10.556 1.989 0.187 0.537 0.900 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 21 14.819 1.950 0.542 0.499 0.850 0.600 CA 1.298 21 residues pruned to eliminate duplicates Z: 13 8.403 1.721 0.312 0.430 0.917 0.583 CA 1.261 13 residues pruned to eliminate duplicates Z: 35 15.928 1.874 0.392 0.358 0.882 0.500 CB 1.383 34 residues pruned to eliminate duplicates Z: 16 8.405 1.950 0.128 0.438 0.867 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 7 3.676 1.595 0.449 0.397 0.833 0.500 CB 0.869 6 residues pruned to eliminate duplicates Z: 12 4.057 1.591 0.073 0.411 0.818 0.545 CB 0.961 Z: 16 10.899 1.991 0.281 0.454 0.933 0.467 CB 1.240 15 residues pruned to eliminate duplicates Z: 20 23.546 2.027 0.844 0.644 0.895 0.632 CB 1.412 20 residues pruned to eliminate duplicates Z: 7 9.376 2.114 0.160 0.615 1.000 0.667 CA 1.400 7 residues pruned to eliminate duplicates Z: 50 42.211 2.002 0.747 0.672 0.980 0.633 CA 1.502 50 residues pruned to eliminate duplicates Z: 12 16.710 1.963 0.886 0.516 0.909 0.727 CB 1.474 13 residues pruned to eliminate duplicates Z: 7 8.079 2.043 0.588 0.548 0.833 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 11 7.917 1.903 0.508 0.424 0.900 0.800 CB 1.049 11 residues pruned to eliminate duplicates 6 1.491 1.455 0.144 0.446 0.800 0.600 CB 0.529 ? Z: 13 18.729 2.124 0.695 0.510 1.000 0.583 CA 1.487 13 residues pruned to eliminate duplicates Z: 11 11.674 1.878 0.502 0.690 1.000 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 22 15.377 1.986 0.446 0.462 0.952 0.667 CB 1.275 22 residues pruned to eliminate duplicates Z: 23 36.575 1.976 0.884 0.931 1.000 0.818 CB 1.464 23 residues pruned to eliminate duplicates Z: 6 3.377 1.676 0.032 0.683 1.000 0.600 CB 0.738 Z: 21 12.430 1.970 0.371 0.433 0.850 0.400 CB 1.298 21 residues pruned to eliminate duplicates Z: 17 9.839 1.686 0.383 0.487 0.812 0.750 CA 1.315 17 residues pruned to eliminate duplicates Z: 23 15.025 1.889 0.535 0.483 0.909 0.591 CB 1.237 23 residues pruned to eliminate duplicates Z: 6 9.319 1.908 0.605 0.703 1.000 0.800 CB 1.132 8 residues pruned to eliminate duplicates Z: 28 11.050 1.893 0.251 0.369 0.852 0.704 CB 1.214 28 residues pruned to eliminate duplicates Z: 21 32.657 2.111 0.722 0.935 1.000 0.500 CB 1.400 21 residues pruned to eliminate duplicates Z: 20 36.458 2.130 0.813 0.940 1.000 0.579 CB 1.504 20 residues pruned to eliminate duplicates Z: 7 3.761 1.747 0.117 0.325 0.833 0.667 CA 1.145 7 residues pruned to eliminate duplicates Z: 8 12.096 1.976 0.834 0.645 0.857 0.714 CB 1.285 Z: 19 29.844 2.086 0.719 0.898 1.000 0.833 CA 1.403 19 residues pruned to eliminate duplicates Z: 11 8.727 1.663 0.641 0.303 1.000 0.500 CA 1.259 8 residues pruned to eliminate duplicates Z: 7 5.020 1.584 0.439 0.796 1.000 0.500 CB 0.694 7 residues pruned to eliminate duplicates Z: 7 3.371 1.558 0.442 0.409 0.667 0.500 CA 1.011 7 residues pruned to eliminate duplicates Z: 33 16.964 2.055 0.486 0.343 0.844 0.438 CB 1.381 33 residues pruned to eliminate duplicates Z: 14 12.176 1.928 0.383 0.597 0.923 0.692 CA 1.251 14 residues pruned to eliminate duplicates Z: 26 13.219 1.887 0.186 0.448 0.880 0.600 CB 1.417 26 residues pruned to eliminate duplicates Z: 13 12.918 1.697 0.669 0.605 1.000 0.583 CB 1.192 19 residues pruned to eliminate duplicates Z: 18 20.499 1.996 0.445 0.915 1.000 0.941 CA 1.218 18 residues pruned to eliminate duplicates Z: 29 14.637 1.989 0.536 0.311 0.893 0.571 CB 1.250 29 residues pruned to eliminate duplicates Z: 8 3.172 1.718 0.581 0.318 0.571 0.429 CB 0.944 Z: 27 13.751 1.958 0.348 0.378 0.885 0.500 CA 1.316 27 residues pruned to eliminate duplicates Z: 8 4.131 1.794 -0.173 0.572 0.857 0.571 CB 1.145 Z: 11 9.160 1.942 0.431 0.464 0.900 0.700 CB 1.201 11 residues pruned to eliminate duplicates Z: 7 5.726 1.725 0.836 0.581 0.833 0.667 CB 0.819 7 residues pruned to eliminate duplicates Z: 23 11.638 1.763 0.396 0.499 0.818 0.591 CB 1.233 23 residues pruned to eliminate duplicates Z: 19 30.290 2.130 0.797 0.868 0.944 0.444 CB 1.443 19 residues pruned to eliminate duplicates Z: 12 8.355 1.834 0.601 0.430 0.727 0.545 CB 1.268 7 residues pruned to eliminate duplicates Z: 9 11.655 1.838 0.299 0.799 0.875 0.625 C 1.518 9 residues pruned to eliminate duplicates Z: 14 13.010 1.877 0.846 0.443 0.923 0.538 CB 1.196 15 residues pruned to eliminate duplicates Z: 56 22.135 1.945 0.538 0.402 0.855 0.545 CB 1.294 56 residues pruned to eliminate duplicates Z: 20 11.403 1.717 0.426 0.441 0.947 0.421 CB 1.199 20 residues pruned to eliminate duplicates Z: 6 4.237 1.467 0.627 0.708 0.600 0.400 CA 1.096 6 residues pruned to eliminate duplicates Z: 6 5.080 1.601 0.916 0.578 0.800 0.800 CB 0.859 Z: 14 7.716 1.597 0.488 0.408 0.923 0.538 CB 1.074 14 residues pruned to eliminate duplicates Z: 22 14.684 1.857 0.470 0.438 0.952 0.571 CB 1.314 25 residues pruned to eliminate duplicates Z: 17 7.747 1.834 0.257 0.357 0.875 0.500 CB 1.120 4 residues pruned to eliminate duplicates Z: 11 15.983 2.071 0.522 0.883 1.000 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 16 7.510 1.863 0.340 0.318 0.667 0.533 CB 1.425 16 residues pruned to eliminate duplicates Z: 9 4.152 1.631 0.170 0.510 0.750 0.750 CB 1.015 Z: 6 7.615 1.546 0.498 0.848 1.000 1.000 CA 1.091 6 residues pruned to eliminate duplicates Z: 14 7.714 1.758 0.224 0.476 0.923 0.538 CB 1.105 14 residues pruned to eliminate duplicates Z: 14 15.039 2.002 0.769 0.389 1.000 0.462 CA 1.324 14 residues pruned to eliminate duplicates Z: 7 5.541 1.735 0.283 0.636 0.833 0.500 CB 1.073 7 residues pruned to eliminate duplicates Z: 13 16.551 1.751 0.702 0.863 1.000 0.750 CA 1.177 13 residues pruned to eliminate duplicates Z: 7 5.471 1.722 0.129 0.501 1.000 0.667 CA 1.147 7 residues pruned to eliminate duplicates Z: 32 21.402 1.979 0.383 0.555 0.968 0.710 CB 1.375 32 residues pruned to eliminate duplicates Z: 27 14.842 1.798 0.505 0.471 0.885 0.577 CB 1.252 27 residues pruned to eliminate duplicates Z: 20 11.586 2.041 0.381 0.346 0.789 0.474 CB 1.412 20 residues pruned to eliminate duplicates Z: 35 17.291 2.098 0.491 0.343 0.824 0.471 CB 1.366 35 residues pruned to eliminate duplicates Z: 19 11.791 1.897 0.479 0.455 0.778 0.444 CB 1.334 19 residues pruned to eliminate duplicates Z: 23 13.156 1.842 0.443 0.438 0.864 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 9 13.567 1.928 0.807 0.653 0.875 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 14 10.454 1.926 0.506 0.391 0.846 0.538 CB 1.325 11 residues pruned to eliminate duplicates Z: 19 9.725 1.751 0.366 0.567 0.778 0.611 CB 1.155 19 residues pruned to eliminate duplicates Z: 36 29.421 2.003 0.527 0.595 0.943 0.600 CA 1.574 36 residues pruned to eliminate duplicates Z: 6 6.932 1.973 0.663 0.573 0.800 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 8 5.769 1.745 0.706 0.261 0.714 0.571 CB 1.348 8 residues pruned to eliminate duplicates Z: 11 10.899 2.066 0.455 0.503 0.900 0.800 CB 1.270 11 residues pruned to eliminate duplicates Z: 7 2.836 1.540 -0.218 0.621 0.667 0.667 C 1.287 Z: 8 8.221 1.901 0.868 0.417 0.714 0.429 CB 1.336 7 residues pruned to eliminate duplicates Z: 8 10.869 1.963 0.594 0.551 1.000 0.429 CB 1.249 8 residues pruned to eliminate duplicates Z: 32 13.147 1.881 0.320 0.362 0.903 0.452 CB 1.221 32 residues pruned to eliminate duplicates Z: 27 15.488 1.963 0.431 0.380 0.846 0.462 CB 1.452 27 residues pruned to eliminate duplicates Z: 8 2.429 1.583 0.520 0.352 0.714 0.571 CB 0.627 8 residues pruned to eliminate duplicates Z: 21 8.881 1.804 0.314 0.323 0.900 0.300 CB 1.131 6 residues pruned to eliminate duplicates Z: 9 2.945 1.415 0.501 0.390 0.875 0.375 CB 0.629 Z: 21 36.886 2.068 0.870 0.892 1.000 0.800 CB 1.532 21 residues pruned to eliminate duplicates Z: 29 32.609 2.140 0.872 0.723 0.929 0.786 CA 1.355 29 residues pruned to eliminate duplicates Z: 6 6.589 1.527 0.540 0.809 1.000 0.600 CA 0.957 6 residues pruned to eliminate duplicates Z: 11 8.582 1.836 0.360 0.566 0.900 0.600 CA 1.133 11 residues pruned to eliminate duplicates Z: 9 3.138 1.419 0.241 0.274 0.750 0.375 CB 1.085 9 residues pruned to eliminate duplicates Z: 16 11.282 1.753 0.466 0.429 0.800 0.600 CA 1.525 16 residues pruned to eliminate duplicates Z: 10 7.037 1.789 0.605 0.550 0.889 0.778 CB 0.876 10 residues pruned to eliminate duplicates Z: 19 14.286 2.033 0.421 0.430 0.833 0.611 CB 1.504 19 residues pruned to eliminate duplicates Z: 6 2.422 1.534 0.149 0.408 0.800 0.400 N 0.846 Z: 22 20.336 2.073 0.337 0.812 0.857 0.762 CB 1.424 22 residues pruned to eliminate duplicates Z: 20 7.240 1.573 0.210 0.363 0.895 0.526 CB 1.131 15 residues pruned to eliminate duplicates Z: 10 14.386 1.733 0.509 0.818 1.000 0.778 CA 1.391 10 residues pruned to eliminate duplicates Z: 26 24.135 2.038 0.339 0.749 0.920 0.760 CB 1.539 26 residues pruned to eliminate duplicates Z: 12 7.727 1.775 0.343 0.419 0.909 0.636 CB 1.171 9 residues pruned to eliminate duplicates 7 1.727 1.490 0.289 0.281 0.667 0.167 CB 0.705 ? Z: 13 7.772 1.690 0.317 0.509 0.917 0.833 CA 1.090 13 residues pruned to eliminate duplicates Z: 54 42.145 2.140 0.705 0.649 0.981 0.660 CA 1.408 54 residues pruned to eliminate duplicates Z: 17 8.568 1.773 0.226 0.488 0.875 0.750 CB 1.140 16 residues pruned to eliminate duplicates Z: 10 20.383 1.880 1.064 0.889 0.778 0.556 CA 1.621 10 residues pruned to eliminate duplicates Z: 18 12.628 2.051 0.484 0.366 0.882 0.647 CB 1.316 18 residues pruned to eliminate duplicates 7 1.869 1.385 0.108 0.459 0.833 0.500 CB 0.622 ? Z: 13 11.252 1.886 0.740 0.489 0.833 0.750 CB 1.201 13 residues pruned to eliminate duplicates 7 0.938 1.256 0.087 0.239 0.667 0.167 CB 0.569 ? Z: 33 37.703 2.075 1.048 0.731 0.969 0.750 CA 1.315 33 residues pruned to eliminate duplicates Z: 16 9.586 2.025 0.520 0.374 0.667 0.467 CA 1.381 16 residues pruned to eliminate duplicates Z: 13 8.922 1.934 0.814 0.269 0.833 0.500 CA 1.146 13 residues pruned to eliminate duplicates Z: 8 2.103 1.553 0.612 0.213 0.571 0.571 CB 0.778 8 residues pruned to eliminate duplicates Z: 30 15.617 1.992 0.369 0.384 0.931 0.586 CA 1.292 30 residues pruned to eliminate duplicates Z: 8 5.615 1.777 0.462 0.354 1.000 0.714 CB 0.957 Z: 58 42.289 2.068 0.817 0.657 0.895 0.649 CA 1.440 58 residues pruned to eliminate duplicates Z: 8 10.613 1.751 0.745 0.506 1.000 0.571 CA 1.305 8 residues pruned to eliminate duplicates Z: 21 17.597 2.184 0.686 0.362 0.850 0.700 CB 1.459 21 residues pruned to eliminate duplicates Z: 6 4.228 1.446 0.299 0.692 0.800 0.800 N 1.056 Z: 36 16.502 2.017 0.599 0.355 0.800 0.457 CB 1.264 36 residues pruned to eliminate duplicates Z: 7 3.961 1.905 -0.074 0.324 0.833 0.500 CB 1.335 7 residues pruned to eliminate duplicates Z: 7 12.285 1.917 0.633 0.762 1.000 0.333 CB 1.270 7 residues pruned to eliminate duplicates Z: 20 37.760 2.179 0.777 0.924 1.000 0.684 CA 1.572 20 residues pruned to eliminate duplicates Z: 9 5.385 1.779 0.255 0.447 0.875 0.625 CB 1.029 9 residues pruned to eliminate duplicates Z: 35 21.174 2.022 0.462 0.467 0.912 0.588 CB 1.393 35 residues pruned to eliminate duplicates Z: 27 13.788 1.942 0.552 0.401 0.731 0.577 CB 1.363 27 residues pruned to eliminate duplicates Z: 13 8.029 1.879 0.413 0.461 0.833 0.500 CB 1.090 Z: 12 16.805 1.838 0.767 0.475 1.000 0.545 CB 1.600 12 residues pruned to eliminate duplicates Z: 6 2.103 1.689 0.162 0.443 0.600 0.400 CA 0.846 6 residues pruned to eliminate duplicates Z: 14 11.539 1.955 0.382 0.415 0.846 0.538 CB 1.529 14 residues pruned to eliminate duplicates Z: 6 2.375 1.693 0.081 0.372 0.800 0.200 CB 0.832 6 residues pruned to eliminate duplicates Z: 24 24.783 1.962 0.629 0.688 1.000 0.739 CA 1.360 24 residues pruned to eliminate duplicates Z: 18 9.432 1.704 0.433 0.371 0.882 0.529 CB 1.219 16 residues pruned to eliminate duplicates Z: 12 7.916 1.766 0.527 0.520 0.818 0.636 CB 1.060 12 residues pruned to eliminate duplicates Z: 9 3.564 1.638 0.150 0.348 0.750 0.250 CA 1.051 Z: 38 14.025 1.812 0.353 0.372 0.892 0.405 CB 1.209 36 residues pruned to eliminate duplicates Z: 13 10.633 1.746 0.767 0.496 0.917 0.583 CB 1.090 13 residues pruned to eliminate duplicates Z: 59 37.771 1.919 0.727 0.629 0.948 0.672 CB 1.398 59 residues pruned to eliminate duplicates Z: 22 24.708 1.902 0.544 0.811 0.952 0.762 CA 1.470 22 residues pruned to eliminate duplicates Z: 9 4.636 1.837 0.629 0.322 0.750 0.375 CB 0.889 9 residues pruned to eliminate duplicates Z: 11 2.635 1.453 0.577 0.351 0.800 0.500 CB 0.534 Z: 11 5.010 1.644 0.439 0.317 0.700 0.400 CA 1.170 11 residues pruned to eliminate duplicates Z: 7 2.330 1.385 0.593 0.273 0.667 0.500 CB 0.837 Z: 24 10.216 1.921 0.131 0.409 0.913 0.652 CB 1.182 24 residues pruned to eliminate duplicates Z: 21 29.448 2.021 0.672 0.844 0.950 0.800 CA 1.527 21 residues pruned to eliminate duplicates Z: 15 5.562 1.777 0.281 0.354 0.714 0.500 CB 1.070 15 residues pruned to eliminate duplicates Z: 15 10.337 1.748 0.504 0.479 0.929 0.714 CB 1.156 15 residues pruned to eliminate duplicates Z: 6 6.093 1.927 0.506 0.570 0.800 0.800 CB 1.098 5 residues pruned to eliminate duplicates Z: 12 19.954 1.992 0.890 0.875 1.000 0.455 CB 1.162 12 residues pruned to eliminate duplicates Z: 18 24.972 2.094 0.582 0.896 0.882 0.765 CB 1.484 18 residues pruned to eliminate duplicates Z: 12 12.070 2.039 0.759 0.317 0.909 0.636 CA 1.366 12 residues pruned to eliminate duplicates Z: 8 11.642 1.965 0.581 0.646 1.000 0.857 CA 1.235 8 residues pruned to eliminate duplicates Z: 73 44.228 2.079 0.605 0.595 0.972 0.639 CA 1.467 73 residues pruned to eliminate duplicates Z: 11 9.588 1.808 0.476 0.466 1.000 0.800 CB 1.177 11 residues pruned to eliminate duplicates Z: 28 11.587 1.893 0.229 0.386 0.889 0.556 CB 1.216 28 residues pruned to eliminate duplicates Z: 17 25.557 1.881 0.855 0.914 0.938 0.562 CA 1.382 17 residues pruned to eliminate duplicates Z: 22 40.056 2.045 1.015 0.948 0.952 0.619 CB 1.539 22 residues pruned to eliminate duplicates Z: 7 2.099 1.737 0.143 0.215 0.667 0.500 CB 0.905 Z: 19 8.172 1.855 0.508 0.267 0.833 0.611 CB 1.077 19 residues pruned to eliminate duplicates Z: 6 4.255 1.527 0.703 0.298 0.800 0.400 CB 1.145 6 residues pruned to eliminate duplicates Z: 6 6.451 1.941 0.607 0.621 0.800 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 6 12.151 1.851 0.718 0.694 1.000 0.800 CB 1.432 6 residues pruned to eliminate duplicates Z: 23 19.376 2.046 0.401 0.523 0.864 0.591 CA 1.632 23 residues pruned to eliminate duplicates Z: 22 12.115 1.959 0.450 0.352 0.857 0.524 CB 1.275 37 residues pruned to eliminate duplicates Z: 37 30.732 2.017 0.675 0.651 0.944 0.806 CB 1.394 37 residues pruned to eliminate duplicates Z: 33 19.994 1.948 0.580 0.506 0.844 0.562 CB 1.353 35 residues pruned to eliminate duplicates Z: 8 4.942 1.570 0.426 0.644 0.857 0.714 CB 0.851 Z: 11 3.604 1.478 0.432 0.242 0.900 0.300 CB 0.806 Z: 37 17.307 1.835 0.438 0.402 0.944 0.528 CB 1.283 37 residues pruned to eliminate duplicates Z: 6 3.100 1.563 0.404 0.373 0.800 0.400 CA 0.905 6 residues pruned to eliminate duplicates Z: 11 13.429 1.761 0.494 0.734 0.900 0.700 CA 1.453 10 residues pruned to eliminate duplicates Z: 24 16.512 1.967 0.504 0.415 0.957 0.522 CB 1.330 23 residues pruned to eliminate duplicates Z: 25 9.450 1.811 0.519 0.325 0.792 0.458 CB 1.074 25 residues pruned to eliminate duplicates Z: 34 26.996 2.029 0.385 0.670 0.970 0.758 CB 1.474 34 residues pruned to eliminate duplicates Z: 8 10.934 1.984 0.567 0.492 1.000 0.571 CB 1.340 8 residues pruned to eliminate duplicates 6 0.561 1.160 0.212 0.297 0.600 0.400 CB 0.373 ? Z: 29 14.140 1.929 0.525 0.405 0.750 0.464 CB 1.338 29 residues pruned to eliminate duplicates Z: 33 33.194 2.097 0.708 0.739 0.938 0.750 CA 1.411 33 residues pruned to eliminate duplicates Z: 6 5.459 1.777 0.563 0.435 0.800 0.400 N 1.175 Z: 29 13.875 1.890 0.313 0.368 0.893 0.536 CA 1.363 29 residues pruned to eliminate duplicates Z: 14 15.778 1.893 0.847 0.483 0.923 0.462 CA 1.378 14 residues pruned to eliminate duplicates Z: 9 6.551 1.917 0.431 0.250 0.750 0.250 CB 1.501 9 residues pruned to eliminate duplicates Z: 11 2.658 1.189 0.465 0.385 0.800 0.600 CB 0.682 Z: 11 16.602 1.979 0.777 0.555 1.000 0.700 CA 1.416 11 residues pruned to eliminate duplicates Z: 19 11.682 1.978 0.455 0.366 0.889 0.556 CB 1.243 19 residues pruned to eliminate duplicates Z: 12 21.068 2.001 0.773 0.834 1.000 0.818 CB 1.343 12 residues pruned to eliminate duplicates Z: 12 7.565 1.598 0.727 0.397 0.818 0.455 N 1.126 6 residues pruned to eliminate duplicates Z: 21 40.256 2.250 0.732 0.931 1.000 0.900 CA 1.613 21 residues pruned to eliminate duplicates Z: 72 42.874 2.129 0.717 0.588 0.915 0.634 CB 1.398 72 residues pruned to eliminate duplicates Z: 7 13.077 1.941 1.132 0.769 1.000 1.000 CB 1.017 7 residues pruned to eliminate duplicates Z: 15 6.987 1.517 0.486 0.316 0.929 0.500 CB 1.093 15 residues pruned to eliminate duplicates Z: 8 4.386 1.417 0.306 0.408 0.857 0.714 C 1.151 Z: 11 2.944 1.352 0.300 0.195 0.800 0.600 CA 0.952 10 residues pruned to eliminate duplicates Z: 12 2.091 1.449 0.094 0.138 0.636 0.364 CB 0.980 8 1.493 1.335 0.373 0.245 0.571 0.286 CA 0.723 ? Z: 12 11.991 1.956 0.030 0.891 1.000 1.000 CB 1.290 12 residues pruned to eliminate duplicates Z: 20 11.324 1.893 0.610 0.323 0.684 0.421 CB 1.513 20 residues pruned to eliminate duplicates Z: 10 4.318 1.651 0.447 0.429 0.778 0.444 CA 0.834 10 residues pruned to eliminate duplicates Z: 7 3.971 1.283 0.516 0.601 1.000 0.500 N 0.757 7 residues pruned to eliminate duplicates Z: 11 8.699 1.513 0.949 0.415 0.800 0.600 N 1.274 12 residues pruned to eliminate duplicates Z: 19 11.428 2.008 0.386 0.390 0.778 0.611 CA 1.399 19 residues pruned to eliminate duplicates Z: 11 4.076 1.382 0.465 0.372 0.900 0.500 CB 0.811 Z: 21 29.390 1.951 0.861 0.870 0.950 0.650 CA 1.390 21 residues pruned to eliminate duplicates Z: 7 5.379 1.645 0.438 0.506 0.833 0.667 CB 1.108 7 residues pruned to eliminate duplicates Z: 12 3.834 1.542 0.520 0.170 0.818 0.545 CB 0.900 Z: 20 10.706 1.914 0.523 0.429 0.842 0.632 CB 1.078 20 residues pruned to eliminate duplicates Z: 24 11.536 1.787 0.355 0.352 0.913 0.565 CB 1.277 24 residues pruned to eliminate duplicates Z: 14 9.802 1.840 0.184 0.629 0.923 0.769 CA 1.197 14 residues pruned to eliminate duplicates Z: 7 7.721 1.936 0.477 0.826 0.667 0.500 CB 1.247 7 residues pruned to eliminate duplicates Z: 11 6.906 1.658 0.733 0.395 0.800 0.400 CB 1.061 12 residues pruned to eliminate duplicates Z: 24 16.291 1.856 0.496 0.590 0.913 0.609 CA 1.229 24 residues pruned to eliminate duplicates Z: 21 22.810 2.041 0.290 0.933 1.000 0.900 CB 1.352 21 residues pruned to eliminate duplicates Z: 7 2.778 1.587 0.145 0.374 0.833 0.333 N 0.857 Z: 11 15.856 1.973 0.752 0.600 1.000 0.700 CA 1.318 11 residues pruned to eliminate duplicates Z: 22 25.777 1.918 0.615 0.900 1.000 0.667 CB 1.297 22 residues pruned to eliminate duplicates Z: 11 9.750 1.833 0.245 0.605 0.900 0.400 CA 1.359 11 residues pruned to eliminate duplicates Z: 8 10.252 1.788 0.356 0.840 0.857 0.571 CB 1.392 8 residues pruned to eliminate duplicates Z: 9 5.022 1.946 0.062 0.480 0.750 0.625 CA 1.169 9 residues pruned to eliminate duplicates Z: 22 39.713 2.215 0.704 0.924 1.000 0.619 CB 1.612 22 residues pruned to eliminate duplicates Z: 10 6.263 1.770 0.107 0.546 0.889 0.556 CB 1.147 10 residues pruned to eliminate duplicates Z: 38 23.358 1.960 0.546 0.552 0.946 0.676 CB 1.273 38 residues pruned to eliminate duplicates Z: 6 5.456 1.905 0.042 0.473 1.000 0.600 CB 1.263 6 residues pruned to eliminate duplicates 6 1.519 1.176 0.419 0.299 0.800 0.600 C 0.637 ? Z: 7 7.407 1.531 0.115 0.783 1.000 1.000 CB 1.381 Z: 8 3.072 1.583 0.424 0.366 0.714 0.429 CB 0.832 Z: 21 11.877 1.750 0.658 0.467 0.900 0.600 CB 1.052 20 residues pruned to eliminate duplicates Z: 36 19.071 1.938 0.541 0.413 0.886 0.486 CB 1.334 36 residues pruned to eliminate duplicates Z: 6 6.650 1.737 0.341 0.652 0.800 0.600 CA 1.385 6 residues pruned to eliminate duplicates Z: 15 8.318 1.714 0.577 0.286 0.929 0.571 CB 1.126 15 residues pruned to eliminate duplicates Z: 17 18.651 1.863 0.697 0.615 0.938 0.625 CB 1.410 17 residues pruned to eliminate duplicates Z: 12 12.449 1.798 0.791 0.431 1.000 0.636 CA 1.252 12 residues pruned to eliminate duplicates Z: 21 14.212 1.957 0.530 0.347 0.950 0.550 CB 1.319 21 residues pruned to eliminate duplicates Z: 6 3.732 1.581 0.343 0.417 0.800 0.400 N 1.070 6 residues pruned to eliminate duplicates Z: 10 6.485 1.961 0.627 0.372 0.667 0.556 CA 1.166 9 residues pruned to eliminate duplicates 7 1.814 1.534 0.081 0.486 0.667 0.500 CB 0.679 ? Z: 16 13.767 1.974 0.373 0.484 0.867 0.600 CA 1.537 16 residues pruned to eliminate duplicates Z: 6 3.081 1.548 0.144 0.437 1.000 0.600 CB 0.831 Z: 10 16.947 2.159 0.450 0.829 0.889 0.667 CA 1.527 10 residues pruned to eliminate duplicates Z: 9 10.877 1.858 0.577 0.881 1.000 0.500 CB 0.950 9 residues pruned to eliminate duplicates Z: 6 4.518 1.748 0.972 0.532 0.600 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 8 9.901 1.800 0.516 0.630 0.857 0.714 CB 1.415 11 residues pruned to eliminate duplicates Z: 6 3.904 1.559 0.814 0.413 0.600 0.200 CB 1.127 Z: 8 3.099 1.584 0.199 0.378 0.714 0.714 CB 0.984 7 residues pruned to eliminate duplicates Z: 13 11.300 1.961 0.631 0.354 0.833 0.500 CB 1.433 15 residues pruned to eliminate duplicates Z: 19 9.741 1.657 0.628 0.438 0.778 0.500 CB 1.168 19 residues pruned to eliminate duplicates Z: 11 6.013 1.842 0.773 0.126 0.700 0.300 CB 1.329 11 residues pruned to eliminate duplicates Z: 8 4.846 1.842 0.202 0.643 1.000 0.714 CB 0.724 8 residues pruned to eliminate duplicates 6 1.892 1.214 0.238 0.321 0.800 0.400 CB 0.857 ? Z: 16 20.453 1.955 0.650 0.859 0.933 0.667 CA 1.291 16 residues pruned to eliminate duplicates Z: 6 2.026 1.304 0.807 0.738 0.800 0.600 CA 0.388 6 residues pruned to eliminate duplicates Z: 16 10.085 2.012 0.365 0.327 0.800 0.467 CB 1.434 16 residues pruned to eliminate duplicates Z: 7 3.615 1.509 0.579 0.340 0.667 0.500 CA 1.106 7 residues pruned to eliminate duplicates 6 0.499 1.185 0.336 0.299 0.600 0.400 N 0.294 ? 7 1.908 1.586 0.641 0.264 0.667 0.500 CB 0.588 ? Z: 20 11.775 1.792 0.562 0.440 0.947 0.579 CB 1.084 20 residues pruned to eliminate duplicates Z: 13 5.162 1.509 0.546 0.306 0.833 0.500 N 0.951 Z: 8 6.572 1.518 0.379 0.632 0.857 0.571 CA 1.223 6 residues pruned to eliminate duplicates Z: 23 22.669 2.229 0.867 0.400 0.909 0.636 CB 1.419 23 residues pruned to eliminate duplicates 7 0.540 1.495 -0.233 0.398 0.667 0.500 CB 0.321 ? Z: 6 2.901 1.301 0.534 0.634 0.800 0.800 CB 0.716 Z: 10 8.986 1.683 0.675 0.458 0.889 0.444 CB 1.247 9 residues pruned to eliminate duplicates Z: 28 10.841 1.886 0.213 0.362 0.889 0.556 CB 1.190 27 residues pruned to eliminate duplicates Z: 9 3.928 1.364 0.770 0.175 0.875 0.250 CA 0.974 Z: 8 6.747 1.643 0.648 0.804 0.714 0.429 CA 1.011 6 residues pruned to eliminate duplicates Z: 19 27.429 2.028 0.618 0.895 1.000 0.722 CA 1.413 19 residues pruned to eliminate duplicates Z: 6 11.181 1.844 0.466 0.846 1.000 1.000 CB 1.375 Z: 20 26.578 2.082 0.550 0.919 1.000 0.895 CB 1.332 20 residues pruned to eliminate duplicates Z: 35 25.812 2.042 0.564 0.494 0.941 0.706 CB 1.482 36 residues pruned to eliminate duplicates Z: 26 18.883 1.946 0.503 0.434 0.920 0.600 CB 1.502 26 residues pruned to eliminate duplicates Z: 10 11.684 1.887 0.472 0.691 0.889 0.667 CB 1.324 13 residues pruned to eliminate duplicates Z: 8 3.985 1.378 0.247 0.450 0.857 0.714 C 1.076 Z: 20 24.131 2.041 0.458 0.921 1.000 0.632 CB 1.309 20 residues pruned to eliminate duplicates Z: 19 8.812 1.768 0.574 0.295 0.778 0.500 CA 1.208 19 residues pruned to eliminate duplicates Z: 16 8.272 1.729 0.344 0.406 0.867 0.533 CB 1.170 16 residues pruned to eliminate duplicates Z: 22 36.831 2.009 0.951 0.930 0.952 0.857 CB 1.506 22 residues pruned to eliminate duplicates 6 0.665 1.365 0.353 0.417 1.000 0.800 CB 0.176 ? Z: 22 10.603 1.657 0.427 0.495 0.905 0.571 CB 1.087 22 residues pruned to eliminate duplicates Z: 13 12.940 2.152 0.320 0.504 0.917 0.750 CA 1.429 13 residues pruned to eliminate duplicates Z: 7 2.025 1.271 0.427 0.214 0.833 0.667 CB 0.766 Z: 14 23.565 2.090 0.828 0.930 0.923 0.538 CA 1.296 14 residues pruned to eliminate duplicates 7 1.678 1.318 0.508 0.243 0.667 0.667 CB 0.696 ? Z: 6 2.667 1.419 0.235 0.569 0.800 0.800 O 0.795 Z: 17 10.328 1.989 0.419 0.439 0.875 0.688 CA 1.114 17 residues pruned to eliminate duplicates Z: 35 19.602 2.029 0.407 0.461 0.882 0.588 CB 1.388 35 residues pruned to eliminate duplicates Z: 17 10.895 1.706 0.201 0.537 0.938 0.750 CA 1.367 17 residues pruned to eliminate duplicates Z: 6 3.771 1.494 0.466 0.433 0.800 0.600 N 1.031 Z: 39 10.510 1.630 0.504 0.339 0.737 0.395 CB 1.125 39 residues pruned to eliminate duplicates Z: 31 15.382 1.849 0.563 0.325 0.933 0.467 CB 1.261 31 residues pruned to eliminate duplicates Z: 10 5.612 1.652 0.294 0.464 0.778 0.333 CB 1.167 8 residues pruned to eliminate duplicates Z: 6 4.652 1.609 0.786 0.669 0.800 0.800 CB 0.774 Z: 16 10.828 1.846 0.436 0.431 0.933 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 15 18.324 1.953 0.510 0.753 1.000 0.643 CA 1.326 15 residues pruned to eliminate duplicates Z: 8 8.439 1.841 0.025 0.845 1.000 1.000 CA 1.256 8 residues pruned to eliminate duplicates Z: 6 5.022 1.706 0.770 0.664 0.800 0.800 CB 0.798 Z: 15 24.589 2.108 0.785 0.824 0.929 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 10 3.706 1.340 0.474 0.299 0.889 0.222 CB 0.880 7 residues pruned to eliminate duplicates Z: 35 22.644 2.021 0.445 0.485 0.941 0.706 CA 1.435 35 residues pruned to eliminate duplicates Z: 11 14.591 1.815 0.743 0.558 1.000 0.900 CA 1.378 11 residues pruned to eliminate duplicates 6 1.621 1.279 0.170 0.399 0.600 0.400 N 0.899 ? Z: 10 5.299 1.412 0.359 0.501 0.889 0.667 N 1.035 6 residues pruned to eliminate duplicates Z: 70 47.727 2.097 0.790 0.582 0.986 0.725 CB 1.435 70 residues pruned to eliminate duplicates Z: 15 12.353 1.920 0.496 0.403 0.929 0.571 CA 1.370 15 residues pruned to eliminate duplicates Z: 7 3.942 1.484 0.275 0.392 0.833 0.667 CB 1.144 Z: 14 15.640 1.961 0.580 0.465 0.923 0.538 N 1.571 14 residues pruned to eliminate duplicates Z: 6 2.902 1.676 0.396 0.423 0.600 0.400 N 1.001 6 residues pruned to eliminate duplicates Z: 32 15.631 1.975 0.354 0.455 0.806 0.548 CB 1.363 32 residues pruned to eliminate duplicates Z: 67 37.279 1.977 0.606 0.548 0.939 0.576 CB 1.468 67 residues pruned to eliminate duplicates Z: 20 9.428 1.666 0.368 0.383 0.842 0.474 CB 1.276 20 residues pruned to eliminate duplicates Z: 9 5.157 1.727 0.442 0.400 0.625 0.500 N 1.301 9 residues pruned to eliminate duplicates Z: 7 5.495 1.523 0.472 0.393 0.833 0.500 N 1.345 7 residues pruned to eliminate duplicates Z: 7 4.231 1.522 0.437 0.560 0.667 0.667 CB 1.117 7 residues pruned to eliminate duplicates Z: 17 8.728 1.559 0.479 0.415 0.938 0.562 CB 1.104 17 residues pruned to eliminate duplicates Z: 10 4.403 1.893 0.076 0.376 0.889 0.333 CB 0.925 10 residues pruned to eliminate duplicates Z: 11 6.477 1.691 0.455 0.469 0.800 0.600 CB 1.073 8 residues pruned to eliminate duplicates Z: 12 3.406 1.325 0.846 0.299 0.545 0.182 N 0.963 Z: 6 5.530 1.987 0.187 0.618 1.000 1.000 CB 0.938 6 residues pruned to eliminate duplicates Z: 8 10.525 1.757 0.388 0.792 1.000 0.571 CB 1.262 8 residues pruned to eliminate duplicates Z: 10 9.228 1.752 0.492 0.525 0.889 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 63 41.076 2.052 0.689 0.630 0.919 0.629 CB 1.449 64 residues pruned to eliminate duplicates Z: 10 9.415 1.795 0.724 0.520 0.778 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 14 9.113 1.851 0.484 0.338 0.923 0.385 CB 1.190 14 residues pruned to eliminate duplicates Z: 21 16.973 2.017 0.474 0.485 0.850 0.600 CA 1.525 21 residues pruned to eliminate duplicates Z: 8 4.123 1.437 0.441 0.471 0.857 0.571 CA 0.905 8 residues pruned to eliminate duplicates Z: 13 5.367 1.516 0.600 0.423 0.750 0.417 CB 0.923 13 residues pruned to eliminate duplicates Z: 16 16.212 1.968 0.499 0.482 0.933 0.800 CB 1.549 16 residues pruned to eliminate duplicates Z: 6 6.619 1.694 0.387 0.582 1.000 0.200 CA 1.164 Z: 8 4.246 1.672 0.288 0.568 0.714 0.571 CA 0.976 8 residues pruned to eliminate duplicates 8 0.849 1.331 0.726 0.101 0.714 0.143 CB 0.325 ? Z: 8 4.066 1.631 0.426 0.515 0.857 0.571 CA 0.759 8 residues pruned to eliminate duplicates Z: 16 16.806 2.035 0.623 0.650 0.933 0.600 CB 1.223 16 residues pruned to eliminate duplicates Z: 76 31.691 1.976 0.485 0.484 0.933 0.493 CB 1.358 76 residues pruned to eliminate duplicates Z: 35 22.859 2.024 0.479 0.494 0.941 0.706 CB 1.400 35 residues pruned to eliminate duplicates 7 1.590 1.326 0.337 0.267 0.500 0.333 CB 0.955 ? Z: 51 42.584 2.077 0.841 0.688 0.960 0.700 CA 1.381 51 residues pruned to eliminate duplicates Z: 9 8.571 1.869 0.473 0.655 0.875 0.750 CB 1.089 9 residues pruned to eliminate duplicates Z: 6 2.836 1.640 0.228 0.567 0.800 0.600 CB 0.738 Z: 11 8.213 1.726 0.778 0.333 0.800 0.600 CB 1.270 10 residues pruned to eliminate duplicates Z: 8 7.210 1.864 0.535 0.483 0.714 0.714 N 1.357 8 residues pruned to eliminate duplicates Z: 12 5.441 1.552 0.126 0.352 0.909 0.273 CB 1.213 12 residues pruned to eliminate duplicates Z: 18 7.685 1.687 0.598 0.298 0.765 0.529 CB 1.133 18 residues pruned to eliminate duplicates Z: 11 6.023 1.753 0.416 0.356 0.800 0.500 CB 1.120 9 residues pruned to eliminate duplicates Z: 13 8.236 1.788 0.444 0.331 0.917 0.500 CB 1.209 13 residues pruned to eliminate duplicates Z: 6 8.324 1.608 0.713 0.754 1.000 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 17 10.794 1.863 0.652 0.370 0.875 0.688 CB 1.152 10 residues pruned to eliminate duplicates Z: 8 9.505 1.770 0.332 0.704 1.000 0.857 CA 1.266 8 residues pruned to eliminate duplicates Z: 19 12.658 1.797 0.573 0.443 0.944 0.556 CB 1.185 19 residues pruned to eliminate duplicates Z: 14 8.806 1.644 0.596 0.444 0.923 0.615 CB 1.068 15 residues pruned to eliminate duplicates Z: 11 8.347 1.925 0.797 0.402 0.700 0.500 CB 1.208 13 residues pruned to eliminate duplicates Z: 34 18.492 1.925 0.546 0.411 0.909 0.576 CB 1.306 34 residues pruned to eliminate duplicates Z: 28 12.075 1.907 0.212 0.381 0.926 0.667 CB 1.232 28 residues pruned to eliminate duplicates Z: 15 11.949 1.859 0.600 0.426 0.857 0.643 CA 1.353 14 residues pruned to eliminate duplicates 7 1.999 1.562 0.171 0.348 0.667 0.667 CB 0.789 ? Z: 17 11.552 1.796 0.482 0.427 0.875 0.500 CB 1.338 17 residues pruned to eliminate duplicates Z: 6 2.969 1.565 0.043 0.583 0.800 0.600 CA 0.938 Z: 7 2.799 1.556 0.085 0.464 0.833 0.500 CB 0.842 Z: 11 9.239 1.835 0.440 0.495 0.900 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 15 10.679 1.840 0.374 0.634 0.929 0.643 CA 1.072 15 residues pruned to eliminate duplicates Z: 34 28.518 2.061 0.569 0.558 0.909 0.606 CB 1.595 34 residues pruned to eliminate duplicates Z: 11 11.663 1.734 0.385 0.604 1.000 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 55 37.570 2.019 0.669 0.626 0.963 0.611 CB 1.400 55 residues pruned to eliminate duplicates Z: 6 8.901 1.968 0.406 0.696 1.000 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 9 7.934 1.791 0.550 0.554 0.750 0.750 CB 1.277 7 residues pruned to eliminate duplicates Z: 7 3.241 1.479 0.367 0.555 0.833 0.333 CB 0.744 Z: 20 8.177 1.819 0.604 0.358 0.842 0.526 CB 0.889 20 residues pruned to eliminate duplicates Z: 11 11.170 1.701 0.813 0.487 1.000 0.300 CB 1.160 12 residues pruned to eliminate duplicates Z: 7 3.014 1.220 0.560 0.385 0.667 0.500 CA 1.096 Z: 12 5.840 1.661 0.171 0.357 0.909 0.364 CA 1.161 12 residues pruned to eliminate duplicates Z: 8 2.600 1.390 0.830 0.189 0.714 0.000 CB 0.786 8 residues pruned to eliminate duplicates Z: 7 6.999 1.426 0.581 0.876 1.000 0.833 CA 0.921 7 residues pruned to eliminate duplicates Z: 23 9.257 1.741 0.219 0.392 0.818 0.364 CB 1.273 23 residues pruned to eliminate duplicates Z: 6 4.864 1.696 0.150 0.565 1.000 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 16 13.781 2.029 0.585 0.461 0.867 0.600 CB 1.328 16 residues pruned to eliminate duplicates Z: 7 4.498 1.534 0.135 0.684 0.833 0.500 CA 1.069 7 residues pruned to eliminate duplicates Z: 17 5.672 1.556 0.301 0.294 0.812 0.375 CB 1.086 17 residues pruned to eliminate duplicates Z: 6 2.931 1.214 0.509 0.682 0.800 0.800 CB 0.756 Z: 22 11.182 1.724 0.426 0.461 0.905 0.714 CA 1.142 22 residues pruned to eliminate duplicates Z: 6 2.674 1.612 -0.008 0.239 1.000 0.400 CB 1.012 Z: 65 44.312 2.041 0.810 0.613 0.922 0.656 CA 1.462 65 residues pruned to eliminate duplicates Z: 6 6.200 1.220 0.853 0.863 1.000 0.800 N 0.900 Z: 7 2.062 1.189 0.568 0.277 0.667 0.333 O 0.872 Z: 40 20.326 1.935 0.437 0.454 0.846 0.692 CA 1.450 40 residues pruned to eliminate duplicates Z: 10 3.524 1.449 0.522 0.241 0.667 0.333 CB 1.078 10 residues pruned to eliminate duplicates Z: 13 7.505 1.730 0.507 0.446 0.667 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 8 2.846 1.207 0.433 0.369 0.857 0.571 C 0.835 Z: 12 7.830 1.496 0.571 0.637 0.818 0.727 CB 1.080 13 residues pruned to eliminate duplicates Z: 7 2.990 1.077 0.647 0.638 0.833 0.500 CB 0.725 Z: 8 8.349 1.448 0.577 0.845 1.000 0.429 CA 1.027 8 residues pruned to eliminate duplicates Z: 13 8.299 1.861 0.385 0.304 0.917 0.417 CB 1.260 13 residues pruned to eliminate duplicates 6 1.107 1.407 0.127 0.228 0.600 0.600 N 0.715 ? Z: 7 3.300 1.552 -0.059 0.500 0.833 0.500 CB 1.108 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.389 1.358 0.717 0.815 0.500 0.333 CB 0.902 7 residues pruned to eliminate duplicates Z: 10 5.211 1.877 0.614 0.171 0.889 0.333 CB 0.962 10 residues pruned to eliminate duplicates Z: 11 4.201 1.841 0.501 0.150 0.800 0.200 CB 0.924 11 residues pruned to eliminate duplicates Z: 24 9.823 1.759 0.375 0.324 0.870 0.435 CB 1.182 24 residues pruned to eliminate duplicates Z: 13 8.330 1.932 0.221 0.479 0.833 0.500 CB 1.249 13 residues pruned to eliminate duplicates Z: 22 9.498 1.753 0.403 0.342 0.905 0.524 CB 1.107 22 residues pruned to eliminate duplicates Z: 11 8.409 2.003 0.220 0.553 0.900 0.500 CB 1.148 11 residues pruned to eliminate duplicates Z: 11 8.096 1.987 0.134 0.590 0.900 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 23 9.891 1.760 0.385 0.352 0.909 0.409 CB 1.117 23 residues pruned to eliminate duplicates Z: 10 13.617 1.981 0.627 0.633 1.000 0.556 CB 1.244 10 residues pruned to eliminate duplicates Z: 9 16.928 2.038 0.670 0.728 1.000 0.625 CB 1.432 24 residues pruned to eliminate duplicates Z: 12 11.145 1.970 0.378 0.511 0.909 0.455 CB 1.347 12 residues pruned to eliminate duplicates Z: 6 4.366 1.618 0.474 0.288 1.000 0.600 CB 1.040 6 residues pruned to eliminate duplicates Z: 6 4.628 1.689 0.175 0.643 1.000 1.000 CA 0.913 6 residues pruned to eliminate duplicates Z: 7 4.520 1.682 0.254 0.399 0.833 0.833 CA 1.168 7 residues pruned to eliminate duplicates Z: 6 3.166 1.384 0.570 0.510 0.600 0.600 N 1.075 6 residues pruned to eliminate duplicates Z: 8 5.094 1.606 0.254 0.394 0.857 0.429 N 1.248 8 residues pruned to eliminate duplicates Z: 7 3.034 1.494 0.215 0.348 0.667 0.500 N 1.207 7 residues pruned to eliminate duplicates Z: 6 7.067 1.740 1.061 0.299 0.800 0.600 O 1.379 5 residues pruned to eliminate duplicates Z: 6 8.909 1.759 0.702 0.432 1.000 0.600 CA 1.429 6 residues pruned to eliminate duplicates Z: 14 11.381 1.875 0.854 0.381 0.769 0.538 CB 1.339 14 residues pruned to eliminate duplicates Z: 13 12.960 1.970 0.740 0.455 0.917 0.667 CB 1.247 13 residues pruned to eliminate duplicates Z: 11 19.747 2.023 0.954 0.538 0.900 0.800 CB 1.691 12 residues pruned to eliminate duplicates Z: 9 6.495 1.752 0.231 0.638 0.875 0.375 CB 1.069 7 residues pruned to eliminate duplicates Z: 8 10.898 1.845 0.495 0.693 1.000 0.571 CB 1.252 8 residues pruned to eliminate duplicates Z: 10 9.034 1.830 0.517 0.463 0.889 0.333 CB 1.267 11 residues pruned to eliminate duplicates Z: 7 7.809 1.960 0.084 0.639 1.000 0.667 CB 1.316 7 residues pruned to eliminate duplicates Z: 19 11.775 1.859 0.604 0.460 0.833 0.611 CB 1.163 19 residues pruned to eliminate duplicates Z: 22 10.932 1.765 0.596 0.409 0.905 0.524 CB 1.030 22 residues pruned to eliminate duplicates Z: 12 4.315 1.794 0.363 0.284 0.636 0.364 CB 1.066 12 residues pruned to eliminate duplicates Z: 17 10.091 1.824 0.576 0.397 0.875 0.438 CB 1.118 17 residues pruned to eliminate duplicates Z: 20 10.052 1.715 0.561 0.416 0.842 0.526 CB 1.117 20 residues pruned to eliminate duplicates Z: 6 5.584 1.686 0.693 0.235 1.000 0.400 N 1.190 6 residues pruned to eliminate duplicates Z: 7 9.590 1.784 0.699 0.464 1.000 0.667 CA 1.340 7 residues pruned to eliminate duplicates Z: 7 6.859 1.682 0.857 0.480 0.833 0.500 CA 1.099 7 residues pruned to eliminate duplicates Z: 6 7.558 1.797 0.873 0.484 1.000 0.600 N 1.021 7 residues pruned to eliminate duplicates Z: 16 8.700 1.795 0.475 0.416 0.800 0.467 CA 1.158 16 residues pruned to eliminate duplicates Z: 17 11.599 1.895 0.365 0.415 1.000 0.562 CB 1.225 18 residues pruned to eliminate duplicates Z: 8 5.105 1.421 0.784 0.511 1.000 0.571 CA 0.753 8 residues pruned to eliminate duplicates Z: 6 8.811 1.867 0.738 0.752 0.800 0.400 CB 1.212 6 residues pruned to eliminate duplicates Z: 60 21.775 1.964 0.467 0.367 0.814 0.458 CB 1.396 62 residues pruned to eliminate duplicates Z: 8 6.658 1.991 0.455 0.347 0.714 0.286 CB 1.437 8 residues pruned to eliminate duplicates Z: 11 9.381 1.877 0.702 0.366 0.800 0.400 CA 1.341 11 residues pruned to eliminate duplicates Z: 12 6.786 1.838 0.638 0.293 0.727 0.364 CB 1.178 12 residues pruned to eliminate duplicates Z: 12 7.646 1.711 0.793 0.373 0.727 0.364 CA 1.184 12 residues pruned to eliminate duplicates Z: 8 8.765 1.845 0.609 0.340 1.000 0.714 CA 1.328 8 residues pruned to eliminate duplicates Z: 23 8.825 1.742 0.435 0.432 0.818 0.500 CB 0.988 23 residues pruned to eliminate duplicates Z: 20 6.062 1.659 0.268 0.461 0.842 0.421 CB 0.818 20 residues pruned to eliminate duplicates Z: 19 11.452 1.867 0.327 0.504 0.944 0.611 CB 1.149 19 residues pruned to eliminate duplicates Z: 19 12.194 1.859 0.381 0.502 1.000 0.611 CB 1.118 19 residues pruned to eliminate duplicates Z: 18 10.987 1.877 0.324 0.556 0.941 0.588 CB 1.079 18 residues pruned to eliminate duplicates Z: 20 11.132 1.845 0.422 0.479 0.947 0.526 CB 1.049 20 residues pruned to eliminate duplicates Z: 6 3.394 1.658 0.374 0.449 1.000 0.600 CB 0.702 6 residues pruned to eliminate duplicates Z: 19 13.668 1.884 0.446 0.502 1.000 0.556 CB 1.180 19 residues pruned to eliminate duplicates Z: 20 11.636 1.838 0.491 0.474 0.947 0.474 CB 1.056 20 residues pruned to eliminate duplicates Z: 6 4.909 1.500 0.642 0.481 0.800 0.800 CA 1.136 6 residues pruned to eliminate duplicates Z: 19 11.565 1.829 0.531 0.460 0.889 0.389 CB 1.141 19 residues pruned to eliminate duplicates Z: 14 9.813 1.804 0.601 0.465 0.846 0.385 CB 1.155 14 residues pruned to eliminate duplicates Z: 18 13.543 1.880 0.644 0.513 0.941 0.647 CB 1.115 18 residues pruned to eliminate duplicates Z: 12 10.503 1.835 0.469 0.452 1.000 0.455 CB 1.234 12 residues pruned to eliminate duplicates Z: 21 14.183 1.870 0.423 0.467 0.900 0.500 CB 1.370 28 residues pruned to eliminate duplicates Z: 6 4.450 1.556 0.366 0.575 1.000 0.400 CB 0.871 6 residues pruned to eliminate duplicates Z: 20 15.833 1.778 0.584 0.532 0.947 0.737 CA 1.319 19 residues pruned to eliminate duplicates Z: 6 5.944 1.648 0.209 0.417 1.000 0.400 CB 1.455 7 residues pruned to eliminate duplicates Z: 6 3.966 1.618 0.675 0.502 0.800 0.400 CB 0.816 6 residues pruned to eliminate duplicates Z: 7 4.258 1.674 0.366 0.324 1.000 0.833 CA 0.923 7 residues pruned to eliminate duplicates Z: 36 20.218 2.004 0.442 0.468 0.914 0.629 CB 1.336 36 residues pruned to eliminate duplicates Z: 35 23.534 2.021 0.510 0.455 0.971 0.588 CB 1.427 35 residues pruned to eliminate duplicates Z: 35 23.644 2.009 0.518 0.480 0.941 0.588 CA 1.441 35 residues pruned to eliminate duplicates Z: 30 16.316 1.921 0.361 0.402 0.966 0.655 CA 1.330 30 residues pruned to eliminate duplicates Z: 6 4.007 1.698 0.075 0.379 1.000 0.400 CA 1.116 6 residues pruned to eliminate duplicates Z: 34 20.453 2.009 0.386 0.469 0.939 0.636 CB 1.404 34 residues pruned to eliminate duplicates Z: 35 25.197 2.066 0.417 0.521 0.971 0.735 CB 1.489 35 residues pruned to eliminate duplicates Z: 6 3.926 1.617 0.203 0.510 0.800 0.600 CA 1.118 6 residues pruned to eliminate duplicates Z: 35 24.201 2.057 0.523 0.470 0.941 0.618 CB 1.452 35 residues pruned to eliminate duplicates Z: 34 23.264 2.078 0.478 0.469 0.909 0.606 CB 1.497 34 residues pruned to eliminate duplicates Z: 35 23.259 2.042 0.531 0.488 0.912 0.647 CB 1.417 35 residues pruned to eliminate duplicates Z: 35 23.944 2.065 0.506 0.458 0.912 0.588 CB 1.511 35 residues pruned to eliminate duplicates Z: 36 23.913 2.047 0.438 0.496 0.914 0.629 CA 1.508 36 residues pruned to eliminate duplicates Z: 35 21.858 2.037 0.399 0.476 0.912 0.559 CB 1.478 35 residues pruned to eliminate duplicates Z: 25 18.527 2.059 0.426 0.452 0.958 0.667 CA 1.412 25 residues pruned to eliminate duplicates Z: 35 22.398 2.048 0.413 0.503 0.912 0.647 CA 1.451 35 residues pruned to eliminate duplicates Z: 36 22.068 2.028 0.440 0.452 0.914 0.629 CB 1.467 36 residues pruned to eliminate duplicates Z: 35 22.979 2.039 0.413 0.467 0.971 0.618 CB 1.458 35 residues pruned to eliminate duplicates Z: 37 23.069 1.995 0.391 0.485 0.972 0.639 CA 1.447 37 residues pruned to eliminate duplicates Z: 35 23.138 2.035 0.472 0.470 0.941 0.735 CB 1.452 35 residues pruned to eliminate duplicates Z: 33 24.909 2.091 0.495 0.484 0.938 0.562 CB 1.527 33 residues pruned to eliminate duplicates Z: 11 14.917 1.935 0.866 0.677 1.000 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 35 22.701 2.038 0.394 0.465 1.000 0.529 CB 1.420 35 residues pruned to eliminate duplicates Z: 6 5.160 1.498 0.570 0.400 1.000 0.400 CB 1.090 6 residues pruned to eliminate duplicates Z: 10 19.003 2.085 0.970 0.727 1.000 0.778 CB 1.257 10 residues pruned to eliminate duplicates Z: 6 4.362 1.614 0.330 0.456 1.000 0.200 CA 0.950 6 residues pruned to eliminate duplicates Z: 10 7.208 1.979 0.380 0.313 0.889 0.333 CA 1.217 10 residues pruned to eliminate duplicates Z: 21 11.360 2.025 0.408 0.295 0.800 0.350 CB 1.401 21 residues pruned to eliminate duplicates Z: 16 6.747 1.850 0.336 0.375 0.667 0.267 CB 1.208 16 residues pruned to eliminate duplicates Z: 21 12.732 2.043 0.457 0.388 0.750 0.450 CB 1.436 21 residues pruned to eliminate duplicates Z: 20 11.337 1.850 0.364 0.369 0.895 0.579 CA 1.326 20 residues pruned to eliminate duplicates Z: 21 13.241 2.034 0.367 0.398 0.850 0.500 CA 1.395 21 residues pruned to eliminate duplicates Z: 28 16.254 1.908 0.408 0.483 0.889 0.630 CA 1.333 28 residues pruned to eliminate duplicates Z: 33 18.291 1.926 0.446 0.467 0.938 0.594 CB 1.280 33 residues pruned to eliminate duplicates Z: 14 12.668 2.004 0.511 0.477 0.923 0.538 CA 1.287 14 residues pruned to eliminate duplicates Z: 12 11.886 2.078 0.555 0.425 0.818 0.545 CA 1.465 12 residues pruned to eliminate duplicates Z: 17 9.291 1.969 0.619 0.304 0.688 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 47 19.217 1.986 0.435 0.386 0.826 0.478 CB 1.359 47 residues pruned to eliminate duplicates Z: 36 17.973 1.976 0.443 0.444 0.857 0.543 CB 1.318 36 residues pruned to eliminate duplicates Z: 24 13.323 1.874 0.387 0.495 0.826 0.652 CA 1.301 24 residues pruned to eliminate duplicates Z: 45 21.733 1.995 0.446 0.449 0.886 0.523 CB 1.350 45 residues pruned to eliminate duplicates Z: 32 15.690 1.935 0.400 0.461 0.871 0.613 CA 1.243 32 residues pruned to eliminate duplicates Z: 44 19.093 1.954 0.456 0.399 0.814 0.558 CB 1.399 44 residues pruned to eliminate duplicates Z: 50 22.428 1.989 0.576 0.416 0.796 0.571 CB 1.402 50 residues pruned to eliminate duplicates Z: 51 20.350 1.974 0.470 0.398 0.800 0.520 CB 1.380 51 residues pruned to eliminate duplicates Z: 22 18.173 1.991 0.370 0.577 0.952 0.524 CA 1.417 22 residues pruned to eliminate duplicates Z: 24 19.314 1.965 0.539 0.548 0.913 0.696 CB 1.391 24 residues pruned to eliminate duplicates Z: 54 20.859 1.997 0.401 0.402 0.830 0.585 CB 1.368 54 residues pruned to eliminate duplicates Z: 10 6.861 1.920 -0.093 0.558 0.889 0.667 CA 1.398 10 residues pruned to eliminate duplicates Z: 30 17.215 1.968 0.488 0.455 0.862 0.690 CB 1.326 30 residues pruned to eliminate duplicates Z: 23 19.536 1.966 0.550 0.580 0.864 0.591 CA 1.465 23 residues pruned to eliminate duplicates Z: 9 6.205 1.887 0.140 0.476 0.875 0.625 CB 1.194 9 residues pruned to eliminate duplicates Z: 50 19.716 1.950 0.586 0.354 0.776 0.490 CB 1.375 50 residues pruned to eliminate duplicates Z: 16 10.582 1.901 0.641 0.359 0.800 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 51 20.984 1.987 0.481 0.396 0.880 0.580 CB 1.279 51 residues pruned to eliminate duplicates Z: 24 9.844 1.796 0.579 0.259 0.826 0.435 CB 1.155 24 residues pruned to eliminate duplicates Z: 14 11.962 1.944 0.623 0.322 1.000 0.385 CB 1.279 14 residues pruned to eliminate duplicates Z: 17 11.289 1.840 0.618 0.383 0.812 0.688 CB 1.321 17 residues pruned to eliminate duplicates Z: 16 10.311 1.886 0.469 0.353 0.867 0.533 CB 1.301 16 residues pruned to eliminate duplicates Z: 17 8.450 1.945 0.386 0.328 0.750 0.438 CB 1.261 17 residues pruned to eliminate duplicates Z: 16 10.880 1.917 0.467 0.419 0.867 0.533 CB 1.255 16 residues pruned to eliminate duplicates Z: 15 10.367 1.897 0.424 0.353 0.929 0.571 CB 1.295 15 residues pruned to eliminate duplicates Z: 32 15.114 1.887 0.566 0.421 0.839 0.645 CB 1.189 32 residues pruned to eliminate duplicates Z: 29 14.948 1.977 0.515 0.377 0.786 0.536 CB 1.369 29 residues pruned to eliminate duplicates Z: 33 18.711 1.939 0.448 0.455 0.938 0.625 CA 1.315 33 residues pruned to eliminate duplicates 6 1.203 1.520 0.345 0.291 0.800 0.600 CB 0.416 ? Z: 6 2.513 1.660 0.640 0.120 0.800 0.400 CA 0.833 6 residues pruned to eliminate duplicates Z: 6 2.537 2.179 0.463 0.319 0.600 0.400 CB 0.724 6 residues pruned to eliminate duplicates Z: 31 11.706 1.927 0.288 0.323 0.867 0.433 CB 1.208 31 residues pruned to eliminate duplicates Z: 9 4.612 2.052 0.425 0.188 0.625 0.375 CB 1.297 9 residues pruned to eliminate duplicates Z: 73 23.501 1.974 0.427 0.400 0.861 0.472 CB 1.268 73 residues pruned to eliminate duplicates Z: 32 16.045 1.921 0.658 0.382 0.839 0.613 CB 1.223 32 residues pruned to eliminate duplicates Z: 27 14.987 2.011 0.424 0.368 0.885 0.538 CA 1.337 38 residues pruned to eliminate duplicates Z: 6 4.279 1.469 0.676 0.416 0.800 0.600 N 1.061 Z: 39 17.833 2.042 0.451 0.375 0.789 0.553 CB 1.413 39 residues pruned to eliminate duplicates Z: 39 18.640 1.976 0.524 0.372 0.816 0.500 CB 1.413 38 residues pruned to eliminate duplicates Z: 7 3.010 1.452 0.597 0.545 1.000 0.333 CB 0.507 7 residues pruned to eliminate duplicates Z: 27 15.259 1.984 0.546 0.350 0.846 0.500 CA 1.357 27 residues pruned to eliminate duplicates Z: 29 17.274 1.973 0.542 0.424 0.893 0.500 CB 1.301 29 residues pruned to eliminate duplicates Z: 18 8.986 1.930 0.289 0.324 0.765 0.471 CB 1.390 18 residues pruned to eliminate duplicates Z: 15 9.707 2.099 0.201 0.442 0.786 0.429 CB 1.390 15 residues pruned to eliminate duplicates Z: 13 10.108 2.175 0.472 0.348 0.750 0.500 CB 1.433 13 residues pruned to eliminate duplicates Z: 14 8.909 2.112 0.250 0.415 0.692 0.308 CB 1.478 14 residues pruned to eliminate duplicates Z: 13 8.012 2.059 0.205 0.368 0.750 0.500 CB 1.432 13 residues pruned to eliminate duplicates Z: 39 20.254 1.979 0.529 0.377 0.868 0.526 CB 1.426 39 residues pruned to eliminate duplicates Z: 15 12.489 2.087 0.341 0.428 0.857 0.500 CB 1.500 15 residues pruned to eliminate duplicates Z: 11 14.285 2.113 0.807 0.432 0.900 0.600 CB 1.411 12 residues pruned to eliminate duplicates Z: 8 3.707 1.618 0.376 0.354 0.714 0.143 CB 1.032 8 residues pruned to eliminate duplicates Z: 17 12.484 2.057 0.409 0.420 0.750 0.688 CA 1.561 17 residues pruned to eliminate duplicates Z: 11 11.237 2.133 0.623 0.452 0.800 0.500 CB 1.348 11 residues pruned to eliminate duplicates Z: 25 9.282 2.013 0.377 0.293 0.667 0.375 CB 1.293 25 residues pruned to eliminate duplicates Z: 6 7.556 1.593 0.877 0.412 1.000 0.200 CA 1.240 6 residues pruned to eliminate duplicates Z: 25 11.628 1.943 0.528 0.232 0.792 0.417 CB 1.380 25 residues pruned to eliminate duplicates Z: 31 24.531 1.986 0.460 0.552 0.967 0.600 CB 1.519 31 residues pruned to eliminate duplicates Z: 52 27.004 2.018 0.441 0.513 0.882 0.569 CB 1.454 52 residues pruned to eliminate duplicates Z: 55 26.320 2.044 0.416 0.485 0.870 0.611 CB 1.443 55 residues pruned to eliminate duplicates Z: 52 27.125 2.031 0.416 0.518 0.882 0.667 CB 1.470 52 residues pruned to eliminate duplicates Z: 34 24.121 1.932 0.360 0.660 0.939 0.758 CB 1.466 34 residues pruned to eliminate duplicates Z: 40 29.437 1.984 0.394 0.624 1.000 0.692 CA 1.516 40 residues pruned to eliminate duplicates Z: 49 29.015 2.005 0.452 0.573 0.917 0.667 CB 1.463 49 residues pruned to eliminate duplicates Z: 35 26.457 2.065 0.502 0.572 0.912 0.647 CB 1.496 35 residues pruned to eliminate duplicates Z: 28 27.540 2.007 0.328 0.774 1.000 0.815 CB 1.561 28 residues pruned to eliminate duplicates Z: 24 26.570 2.080 0.531 0.730 0.913 0.783 CB 1.550 24 residues pruned to eliminate duplicates Z: 24 25.424 2.085 0.431 0.718 0.957 0.652 CA 1.524 24 residues pruned to eliminate duplicates Z: 57 25.270 1.834 0.464 0.518 0.875 0.571 CB 1.413 88 residues pruned to eliminate duplicates Z: 22 25.124 2.027 0.555 0.899 0.952 0.619 CB 1.306 22 residues pruned to eliminate duplicates Z: 39 39.204 2.021 0.789 0.677 0.947 0.658 CB 1.578 39 residues pruned to eliminate duplicates Z: 32 28.821 1.998 0.569 0.660 0.903 0.710 CA 1.576 32 residues pruned to eliminate duplicates Z: 41 26.838 2.070 0.715 0.514 0.825 0.525 CB 1.429 76 residues pruned to eliminate duplicates Z: 30 23.451 1.925 0.539 0.669 0.931 0.448 CB 1.351 30 residues pruned to eliminate duplicates Z: 23 27.216 2.107 0.501 0.780 0.909 0.636 CB 1.577 23 residues pruned to eliminate duplicates Z: 39 30.110 1.969 0.534 0.597 0.974 0.500 CB 1.515 39 residues pruned to eliminate duplicates Z: 24 29.913 2.087 0.544 0.745 1.000 0.435 CB 1.554 24 residues pruned to eliminate duplicates Z: 28 26.970 1.984 0.744 0.708 0.926 0.407 CB 1.341 28 residues pruned to eliminate duplicates Z: 27 32.144 2.011 0.699 0.719 0.962 0.538 CB 1.574 27 residues pruned to eliminate duplicates Z: 25 27.528 1.979 0.817 0.713 0.917 0.375 CB 1.406 25 residues pruned to eliminate duplicates Z: 34 29.247 2.003 0.647 0.646 0.818 0.333 CB 1.646 34 residues pruned to eliminate duplicates Z: 13 14.414 1.857 0.818 0.834 0.750 0.417 CB 1.232 13 residues pruned to eliminate duplicates Z: 38 23.365 2.000 0.450 0.527 0.838 0.405 CB 1.540 38 residues pruned to eliminate duplicates Z: 41 20.282 1.936 0.397 0.505 0.825 0.275 CB 1.430 41 residues pruned to eliminate duplicates Z: 27 25.408 2.055 0.578 0.688 0.808 0.385 CB 1.602 27 residues pruned to eliminate duplicates Z: 23 18.623 2.076 0.478 0.625 0.773 0.182 CB 1.488 23 residues pruned to eliminate duplicates Z: 38 23.345 2.014 0.576 0.560 0.784 0.405 CB 1.455 38 residues pruned to eliminate duplicates Z: 46 27.059 2.017 0.525 0.546 0.867 0.378 CB 1.447 46 residues pruned to eliminate duplicates Z: 11 10.354 1.914 0.584 0.691 0.700 0.300 CB 1.295 Z: 9 12.992 1.890 0.435 0.868 1.000 0.625 CA 1.237 11 residues pruned to eliminate duplicates Z: 11 10.951 1.800 0.532 0.721 0.700 0.300 CA 1.469 9 residues pruned to eliminate duplicates Z: 8 12.673 1.857 0.654 0.856 0.857 0.429 CA 1.341 8 residues pruned to eliminate duplicates Z: 9 12.093 1.911 0.820 0.799 0.750 0.375 CB 1.262 9 residues pruned to eliminate duplicates Z: 17 16.197 2.086 0.860 0.429 0.875 0.438 CB 1.284 10 residues pruned to eliminate duplicates Z: 10 11.393 1.859 0.813 0.555 0.889 0.222 CB 1.202 10 residues pruned to eliminate duplicates Z: 17 16.724 2.038 0.886 0.426 0.938 0.312 CB 1.253 15 residues pruned to eliminate duplicates Z: 19 10.364 1.922 0.765 0.351 0.778 0.389 CB 1.087 19 residues pruned to eliminate duplicates Z: 33 21.640 2.040 0.559 0.426 0.938 0.531 CB 1.385 18 residues pruned to eliminate duplicates Z: 6 3.618 1.582 0.751 0.241 1.000 0.400 CB 0.789 6 residues pruned to eliminate duplicates Z: 23 19.191 2.150 0.679 0.353 0.909 0.591 CB 1.461 23 residues pruned to eliminate duplicates Z: 24 18.576 2.142 0.724 0.327 0.870 0.478 CB 1.460 24 residues pruned to eliminate duplicates Z: 16 14.935 2.120 0.836 0.338 0.800 0.400 CB 1.478 16 residues pruned to eliminate duplicates Z: 20 17.096 2.116 0.647 0.405 0.895 0.684 CB 1.390 20 residues pruned to eliminate duplicates Z: 26 19.965 2.063 0.755 0.400 0.920 0.520 CB 1.332 26 residues pruned to eliminate duplicates Z: 25 17.986 2.092 0.626 0.432 0.875 0.500 CB 1.323 25 residues pruned to eliminate duplicates Z: 20 15.101 2.211 0.536 0.285 0.895 0.632 CB 1.452 20 residues pruned to eliminate duplicates Z: 27 16.614 2.043 0.559 0.374 0.846 0.500 CB 1.384 27 residues pruned to eliminate duplicates Z: 25 19.337 2.134 0.806 0.287 0.875 0.375 CB 1.486 25 residues pruned to eliminate duplicates Z: 42 18.869 1.933 0.633 0.378 0.854 0.439 CB 1.245 42 residues pruned to eliminate duplicates Z: 28 21.073 2.094 0.782 0.390 0.815 0.556 CB 1.498 28 residues pruned to eliminate duplicates Z: 18 18.135 2.033 0.699 0.458 0.941 0.647 CB 1.413 18 residues pruned to eliminate duplicates Z: 21 13.571 2.159 0.492 0.272 0.850 0.550 CB 1.435 21 residues pruned to eliminate duplicates Z: 17 13.316 2.102 0.536 0.328 0.812 0.312 CB 1.532 17 residues pruned to eliminate duplicates Z: 27 18.626 2.058 0.704 0.364 0.885 0.538 CB 1.362 27 residues pruned to eliminate duplicates Z: 8 8.503 2.068 0.493 0.541 0.714 0.571 CB 1.399 Z: 10 8.991 1.821 0.420 0.679 0.889 0.444 CB 1.106 8 residues pruned to eliminate duplicates Z: 6 3.771 1.635 0.375 0.468 0.600 0.600 CB 1.291 Z: 9 9.700 1.777 0.566 0.583 0.875 0.625 CA 1.301 15 residues pruned to eliminate duplicates Z: 8 10.504 1.810 0.530 0.628 1.000 0.714 CA 1.271 8 residues pruned to eliminate duplicates Z: 15 11.290 1.962 0.517 0.441 0.786 0.571 CA 1.371 15 residues pruned to eliminate duplicates Z: 9 8.871 1.924 0.629 0.403 0.750 0.500 CA 1.477 9 residues pruned to eliminate duplicates Z: 16 12.011 1.958 0.587 0.491 0.800 0.600 CB 1.259 16 residues pruned to eliminate duplicates Z: 20 17.186 1.945 0.783 0.524 0.737 0.421 CA 1.507 20 residues pruned to eliminate duplicates Z: 8 11.177 1.915 0.630 0.533 0.857 0.429 CB 1.528 8 residues pruned to eliminate duplicates Z: 77 45.135 2.076 0.577 0.586 0.961 0.671 CA 1.517 77 residues pruned to eliminate duplicates Z: 34 32.099 2.024 0.594 0.702 0.970 0.727 CA 1.486 34 residues pruned to eliminate duplicates Z: 59 37.079 2.034 0.494 0.632 0.966 0.655 CB 1.466 59 residues pruned to eliminate duplicates Z: 81 43.824 2.054 0.538 0.585 0.950 0.663 CB 1.504 81 residues pruned to eliminate duplicates Z: 78 38.686 2.043 0.556 0.547 0.896 0.571 CA 1.478 78 residues pruned to eliminate duplicates Z: 88 32.869 2.007 0.417 0.476 0.874 0.632 CB 1.454 88 residues pruned to eliminate duplicates Z: 14 13.816 2.071 0.439 0.443 0.923 0.769 CA 1.477 14 residues pruned to eliminate duplicates Z: 13 13.205 2.128 0.298 0.497 0.917 0.750 CA 1.511 13 residues pruned to eliminate duplicates Z: 82 39.719 2.068 0.542 0.547 0.901 0.617 CA 1.467 82 residues pruned to eliminate duplicates Z: 39 25.910 2.008 0.417 0.607 0.947 0.816 CA 1.408 39 residues pruned to eliminate duplicates Z: 74 40.964 2.067 0.502 0.570 0.986 0.575 CA 1.464 74 residues pruned to eliminate duplicates Z: 52 30.078 1.981 0.478 0.596 0.941 0.686 CA 1.394 52 residues pruned to eliminate duplicates Z: 83 39.441 2.025 0.534 0.535 0.902 0.598 CA 1.501 83 residues pruned to eliminate duplicates Z: 65 36.501 2.026 0.561 0.624 0.906 0.672 CB 1.416 65 residues pruned to eliminate duplicates Z: 84 39.175 2.037 0.519 0.564 0.904 0.651 CB 1.446 84 residues pruned to eliminate duplicates Z: 40 23.946 1.995 0.431 0.568 0.897 0.667 CA 1.402 40 residues pruned to eliminate duplicates Z: 66 41.422 2.094 0.615 0.597 0.969 0.692 CA 1.429 66 residues pruned to eliminate duplicates Z: 90 44.338 2.050 0.616 0.550 0.933 0.573 CA 1.449 100 residues pruned to eliminate duplicates Z: 20 30.929 2.013 0.800 0.916 1.000 0.737 CA 1.383 20 residues pruned to eliminate duplicates Z: 47 29.377 1.949 0.586 0.572 0.891 0.609 CB 1.465 47 residues pruned to eliminate duplicates Z: 19 32.766 2.102 0.848 0.858 1.000 0.667 CA 1.464 19 residues pruned to eliminate duplicates Z: 75 36.693 2.057 0.587 0.558 0.865 0.581 CA 1.428 75 residues pruned to eliminate duplicates Z: 28 26.673 2.026 0.715 0.654 0.926 0.481 CA 1.383 28 residues pruned to eliminate duplicates Z: 68 40.177 2.080 0.535 0.564 0.955 0.537 CA 1.512 68 residues pruned to eliminate duplicates Z: 31 29.631 2.057 0.632 0.681 0.933 0.700 CA 1.462 31 residues pruned to eliminate duplicates Z: 50 32.751 2.042 0.570 0.505 0.959 0.551 CA 1.513 50 residues pruned to eliminate duplicates Z: 79 43.815 2.016 0.558 0.564 0.987 0.577 CB 1.504 79 residues pruned to eliminate duplicates Z: 41 32.615 2.022 0.611 0.690 0.925 0.550 CB 1.439 41 residues pruned to eliminate duplicates Z: 44 36.824 2.007 0.738 0.688 0.953 0.605 CA 1.422 44 residues pruned to eliminate duplicates Z: 53 25.744 1.986 0.546 0.502 0.827 0.462 CA 1.404 53 residues pruned to eliminate duplicates Z: 43 36.791 1.990 0.756 0.634 0.952 0.476 CA 1.504 43 residues pruned to eliminate duplicates Z: 79 38.748 2.033 0.546 0.542 0.923 0.551 CA 1.452 79 residues pruned to eliminate duplicates Z: 89 46.256 2.043 0.602 0.574 0.932 0.636 CB 1.506 89 residues pruned to eliminate duplicates Z: 40 38.829 2.107 0.683 0.706 0.974 0.615 CB 1.492 40 residues pruned to eliminate duplicates Z: 65 43.386 2.092 0.657 0.599 0.938 0.531 CA 1.518 65 residues pruned to eliminate duplicates Z: 67 41.317 2.071 0.632 0.580 0.939 0.545 CA 1.484 67 residues pruned to eliminate duplicates Z: 82 46.241 2.062 0.630 0.571 0.938 0.630 CB 1.522 82 residues pruned to eliminate duplicates Z: 82 40.432 2.048 0.549 0.545 0.926 0.617 CA 1.463 82 residues pruned to eliminate duplicates Z: 46 37.095 2.025 0.702 0.645 0.978 0.622 CB 1.433 46 residues pruned to eliminate duplicates Z: 39 30.627 2.089 0.687 0.481 0.921 0.526 CA 1.560 39 residues pruned to eliminate duplicates Z: 38 29.603 2.117 0.656 0.504 0.919 0.622 CA 1.504 38 residues pruned to eliminate duplicates Z: 70 41.035 2.051 0.614 0.564 0.942 0.609 CA 1.489 70 residues pruned to eliminate duplicates Z: 45 32.984 2.092 0.588 0.513 0.977 0.591 CA 1.512 45 residues pruned to eliminate duplicates Z: 86 46.189 2.065 0.616 0.568 0.929 0.576 CA 1.513 86 residues pruned to eliminate duplicates Z: 27 23.038 1.973 0.668 0.500 0.962 0.500 CB 1.428 27 residues pruned to eliminate duplicates Z: 91 47.769 2.051 0.687 0.579 0.900 0.611 CB 1.499 91 residues pruned to eliminate duplicates Z: 67 39.715 2.061 0.524 0.588 0.955 0.561 CB 1.498 67 residues pruned to eliminate duplicates Z: 92 40.808 2.011 0.573 0.546 0.901 0.549 CA 1.435 92 residues pruned to eliminate duplicates Z: 32 21.226 2.054 0.550 0.415 0.903 0.516 CA 1.450 32 residues pruned to eliminate duplicates Z: 70 39.664 2.063 0.564 0.587 0.913 0.594 CA 1.492 70 residues pruned to eliminate duplicates Z: 25 14.543 2.047 0.550 0.301 0.875 0.542 CA 1.335 25 residues pruned to eliminate duplicates Z: 25 27.755 2.079 0.818 0.585 0.958 0.542 CB 1.443 25 residues pruned to eliminate duplicates Z: 31 21.172 2.037 0.490 0.448 0.900 0.500 CB 1.492 31 residues pruned to eliminate duplicates Z: 33 21.486 2.061 0.483 0.404 0.938 0.500 CA 1.467 33 residues pruned to eliminate duplicates Z: 66 39.513 2.076 0.694 0.567 0.892 0.508 CA 1.464 66 residues pruned to eliminate duplicates Z: 79 38.726 2.056 0.516 0.548 0.910 0.590 CA 1.475 79 residues pruned to eliminate duplicates Z: 33 18.420 2.017 0.436 0.397 0.844 0.500 CA 1.486 33 residues pruned to eliminate duplicates Z: 33 17.082 2.022 0.382 0.352 0.812 0.500 CA 1.560 33 residues pruned to eliminate duplicates Z: 32 18.958 2.040 0.459 0.362 0.903 0.484 CA 1.470 32 residues pruned to eliminate duplicates Z: 28 16.332 1.961 0.403 0.396 0.852 0.407 CB 1.497 28 residues pruned to eliminate duplicates Z: 59 36.647 2.026 0.619 0.520 0.966 0.517 CA 1.490 59 residues pruned to eliminate duplicates Z: 66 40.597 2.079 0.597 0.576 0.923 0.615 CA 1.527 66 residues pruned to eliminate duplicates Z: 22 21.215 2.090 0.590 0.493 0.905 0.571 CB 1.551 19 residues pruned to eliminate duplicates Z: 6 4.414 1.865 0.309 0.259 0.800 0.400 CA 1.331 6 residues pruned to eliminate duplicates Z: 32 20.691 2.069 0.476 0.398 0.935 0.419 CA 1.449 32 residues pruned to eliminate duplicates Z: 13 18.906 2.176 0.586 0.470 1.000 0.667 CA 1.630 13 residues pruned to eliminate duplicates Z: 89 41.901 2.045 0.590 0.555 0.875 0.659 CA 1.488 89 residues pruned to eliminate duplicates Z: 21 13.640 2.064 0.440 0.411 0.750 0.450 CA 1.502 21 residues pruned to eliminate duplicates Z: 19 16.190 2.012 0.618 0.495 0.889 0.500 CA 1.325 19 residues pruned to eliminate duplicates Z: 26 13.414 1.985 0.479 0.409 0.760 0.480 CA 1.323 26 residues pruned to eliminate duplicates Z: 16 10.825 1.894 0.459 0.477 0.867 0.600 CA 1.194 16 residues pruned to eliminate duplicates Z: 26 16.375 2.041 0.554 0.394 0.880 0.520 CA 1.313 26 residues pruned to eliminate duplicates Z: 6 4.400 1.772 0.571 0.272 1.000 0.200 CB 0.915 4 residues pruned to eliminate duplicates Z: 12 12.157 1.853 0.564 0.691 0.909 0.727 CA 1.169 12 residues pruned to eliminate duplicates Z: 6 4.053 1.587 0.662 0.445 1.000 0.400 CB 0.727 4 residues pruned to eliminate duplicates Z: 6 2.613 1.661 0.486 0.149 0.800 0.400 CB 0.912 6 residues pruned to eliminate duplicates Z: 9 4.093 1.919 0.261 0.404 1.000 0.375 CB 0.662 9 residues pruned to eliminate duplicates Z: 24 13.670 1.969 0.341 0.423 0.913 0.652 CB 1.282 24 residues pruned to eliminate duplicates Z: 29 11.958 1.849 0.191 0.414 0.929 0.607 CB 1.209 28 residues pruned to eliminate duplicates Z: 6 8.313 1.966 0.557 0.486 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 24 11.912 1.963 0.223 0.366 0.913 0.652 CB 1.308 24 residues pruned to eliminate duplicates Z: 27 13.370 1.973 0.256 0.419 0.923 0.692 CB 1.246 27 residues pruned to eliminate duplicates Z: 25 12.441 2.000 0.140 0.403 0.917 0.583 CB 1.346 25 residues pruned to eliminate duplicates Z: 25 12.525 1.990 0.190 0.390 0.917 0.667 CB 1.323 25 residues pruned to eliminate duplicates Z: 26 13.587 2.000 0.293 0.385 0.920 0.520 CB 1.291 26 residues pruned to eliminate duplicates Z: 27 13.683 1.978 0.257 0.443 0.923 0.654 CB 1.240 27 residues pruned to eliminate duplicates Z: 27 11.021 1.927 0.263 0.351 0.808 0.500 CB 1.293 27 residues pruned to eliminate duplicates Z: 16 9.710 1.858 0.364 0.340 1.000 0.533 CB 1.177 Z: 6 8.611 1.943 0.693 0.606 0.800 0.600 CA 1.323 Z: 6 5.833 1.858 0.570 0.595 0.800 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 19 11.605 1.842 0.427 0.427 0.889 0.667 CA 1.263 8 residues pruned to eliminate duplicates Z: 6 6.849 1.683 0.771 0.683 1.000 0.600 CA 0.869 6 residues pruned to eliminate duplicates Z: 37 14.266 1.835 0.373 0.366 0.889 0.528 CB 1.225 33 residues pruned to eliminate duplicates Z: 9 8.778 1.622 0.769 0.614 1.000 0.625 CA 0.971 9 residues pruned to eliminate duplicates Z: 20 12.730 1.870 0.396 0.432 0.895 0.474 CB 1.341 20 residues pruned to eliminate duplicates Z: 12 10.896 1.919 0.557 0.436 0.909 0.545 CA 1.293 12 residues pruned to eliminate duplicates Z: 28 14.416 1.836 0.439 0.488 0.852 0.556 CB 1.248 67 residues pruned to eliminate duplicates Z: 6 3.828 1.606 0.393 0.367 1.000 0.800 CA 0.882 Z: 6 2.865 1.478 0.122 0.434 0.800 0.400 CB 1.035 Z: 7 4.385 1.575 0.251 0.516 1.000 0.500 CB 0.895 7 residues pruned to eliminate duplicates Z: 14 8.362 1.895 0.473 0.365 0.846 0.692 CB 1.135 14 residues pruned to eliminate duplicates Z: 14 6.870 1.806 0.498 0.285 0.846 0.462 CB 1.060 14 residues pruned to eliminate duplicates Z: 29 14.320 2.060 0.645 0.282 0.821 0.393 CB 1.243 29 residues pruned to eliminate duplicates Z: 32 20.430 2.118 0.504 0.372 0.871 0.516 CB 1.518 32 residues pruned to eliminate duplicates Z: 34 19.989 2.073 0.536 0.348 0.909 0.515 CB 1.418 34 residues pruned to eliminate duplicates Z: 41 20.096 2.045 0.458 0.376 0.850 0.450 CB 1.431 37 residues pruned to eliminate duplicates Z: 7 5.200 1.763 0.659 0.519 0.667 0.333 CB 1.069 7 residues pruned to eliminate duplicates Z: 42 17.579 2.047 0.462 0.370 0.780 0.488 CB 1.351 42 residues pruned to eliminate duplicates Z: 26 12.021 2.039 0.318 0.332 0.720 0.560 CB 1.492 26 residues pruned to eliminate duplicates Z: 35 12.196 2.032 0.408 0.293 0.706 0.441 CB 1.305 35 residues pruned to eliminate duplicates Z: 33 19.815 2.115 0.433 0.401 0.844 0.594 CB 1.520 25 residues pruned to eliminate duplicates Z: 7 7.079 1.623 0.655 0.495 1.000 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 10 7.382 2.135 0.507 0.209 0.778 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 28 14.600 2.017 0.375 0.340 0.815 0.519 CB 1.480 28 residues pruned to eliminate duplicates Z: 26 17.008 2.096 0.506 0.327 0.880 0.480 CB 1.481 25 residues pruned to eliminate duplicates Z: 6 5.231 1.573 0.461 0.436 1.000 0.600 CA 1.088 Z: 28 15.103 2.037 0.413 0.284 0.889 0.556 CB 1.450 34 residues pruned to eliminate duplicates Z: 19 13.772 1.990 0.472 0.402 0.833 0.611 CA 1.474 19 residues pruned to eliminate duplicates Z: 17 12.517 2.032 0.255 0.433 0.875 0.750 CA 1.504 17 residues pruned to eliminate duplicates Z: 31 14.374 1.946 0.402 0.334 0.900 0.467 CB 1.281 31 residues pruned to eliminate duplicates Z: 6 5.495 1.721 0.454 0.431 1.000 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 38 16.844 1.966 0.539 0.291 0.811 0.459 CB 1.426 29 residues pruned to eliminate duplicates Z: 6 3.358 1.805 0.491 0.299 0.600 0.000 CA 1.163 6 residues pruned to eliminate duplicates Z: 54 25.483 1.999 0.400 0.413 0.943 0.604 CB 1.452 54 residues pruned to eliminate duplicates Z: 37 15.001 1.815 0.403 0.372 0.833 0.472 CB 1.352 37 residues pruned to eliminate duplicates Z: 23 11.555 1.909 0.314 0.421 0.864 0.636 CB 1.234 23 residues pruned to eliminate duplicates Z: 67 24.531 1.987 0.470 0.366 0.864 0.485 CB 1.382 67 residues pruned to eliminate duplicates Z: 6 6.885 1.841 0.458 0.491 1.000 1.000 CA 1.157 6 residues pruned to eliminate duplicates Z: 19 11.357 1.959 0.379 0.508 0.722 0.556 CA 1.361 19 residues pruned to eliminate duplicates Z: 31 16.417 1.935 0.359 0.395 0.833 0.533 CB 1.528 31 residues pruned to eliminate duplicates Z: 65 21.895 1.988 0.416 0.345 0.812 0.438 CB 1.415 65 residues pruned to eliminate duplicates Z: 40 18.051 1.982 0.245 0.403 0.949 0.564 CB 1.368 40 residues pruned to eliminate duplicates Z: 27 15.789 1.923 0.356 0.470 0.885 0.577 CA 1.385 27 residues pruned to eliminate duplicates Z: 43 18.382 1.919 0.375 0.403 0.881 0.548 CB 1.352 43 residues pruned to eliminate duplicates Z: 43 23.504 1.949 0.441 0.423 0.929 0.548 CB 1.506 43 residues pruned to eliminate duplicates Z: 21 16.736 1.982 0.513 0.540 0.850 0.650 CB 1.413 21 residues pruned to eliminate duplicates Z: 41 18.326 1.922 0.415 0.381 0.900 0.500 CB 1.344 41 residues pruned to eliminate duplicates Z: 12 9.558 1.940 0.240 0.444 0.909 0.455 CA 1.395 12 residues pruned to eliminate duplicates Z: 21 15.769 1.950 0.441 0.457 0.950 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 20 15.057 1.965 0.329 0.462 0.947 0.684 CA 1.451 20 residues pruned to eliminate duplicates Z: 11 12.516 2.003 0.369 0.558 1.000 0.600 CA 1.365 11 residues pruned to eliminate duplicates Z: 11 12.028 2.047 0.304 0.567 0.900 0.500 CA 1.484 11 residues pruned to eliminate duplicates Z: 42 22.168 1.939 0.404 0.438 0.951 0.634 CB 1.425 42 residues pruned to eliminate duplicates Z: 24 17.018 2.039 0.389 0.458 1.000 0.565 CB 1.308 24 residues pruned to eliminate duplicates Z: 42 18.949 1.986 0.375 0.421 0.854 0.585 CB 1.379 42 residues pruned to eliminate duplicates Z: 10 13.307 1.925 0.602 0.502 1.000 0.444 CA 1.436 10 residues pruned to eliminate duplicates Z: 10 12.144 2.008 0.593 0.354 1.000 0.444 CA 1.481 10 residues pruned to eliminate duplicates Z: 16 11.823 1.990 0.459 0.471 0.933 0.600 CB 1.160 16 residues pruned to eliminate duplicates Z: 12 10.782 2.045 0.272 0.416 1.000 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 11.546 2.053 0.095 0.392 1.000 0.615 CB 1.597 14 residues pruned to eliminate duplicates Z: 11 10.869 2.102 0.244 0.433 0.900 0.600 CB 1.566 11 residues pruned to eliminate duplicates Z: 17 14.404 2.006 0.443 0.443 0.875 0.625 CB 1.508 17 residues pruned to eliminate duplicates Z: 14 15.218 2.040 0.472 0.508 0.923 0.462 CB 1.512 14 residues pruned to eliminate duplicates Z: 22 18.611 1.946 0.560 0.461 0.952 0.619 CB 1.461 22 residues pruned to eliminate duplicates Z: 17 17.268 1.909 0.663 0.563 0.875 0.625 CB 1.462 17 residues pruned to eliminate duplicates Z: 50 22.577 1.901 0.462 0.424 0.857 0.612 CB 1.465 50 residues pruned to eliminate duplicates Z: 15 17.493 2.039 0.751 0.514 0.929 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 20 18.873 1.942 0.522 0.531 1.000 0.632 CB 1.422 20 residues pruned to eliminate duplicates Z: 26 15.158 1.865 0.605 0.378 0.840 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 21 15.040 1.821 0.445 0.530 0.900 0.700 CB 1.378 21 residues pruned to eliminate duplicates Z: 23 13.813 1.897 0.457 0.354 0.818 0.682 CB 1.526 23 residues pruned to eliminate duplicates Z: 11 8.673 2.007 0.315 0.342 0.800 0.400 CB 1.542 11 residues pruned to eliminate duplicates Z: 23 17.257 1.929 0.600 0.383 0.864 0.727 CB 1.563 23 residues pruned to eliminate duplicates Z: 31 15.912 1.898 0.529 0.394 0.867 0.567 CB 1.291 31 residues pruned to eliminate duplicates Z: 18 11.646 1.884 0.567 0.327 0.765 0.412 CB 1.513 18 residues pruned to eliminate duplicates Z: 26 17.775 1.916 0.569 0.418 0.840 0.600 CB 1.534 26 residues pruned to eliminate duplicates Z: 40 34.357 2.148 0.702 0.652 0.923 0.718 CA 1.416 40 residues pruned to eliminate duplicates Z: 11 9.587 2.001 0.419 0.381 0.800 0.500 CA 1.515 11 residues pruned to eliminate duplicates Z: 12 8.470 2.072 0.421 0.322 0.727 0.545 CB 1.452 12 residues pruned to eliminate duplicates Z: 80 45.432 2.114 0.653 0.559 0.949 0.696 CB 1.454 80 residues pruned to eliminate duplicates Z: 79 39.377 2.035 0.587 0.554 0.885 0.628 CA 1.480 79 residues pruned to eliminate duplicates Z: 45 34.586 2.095 0.647 0.639 0.955 0.773 CA 1.389 45 residues pruned to eliminate duplicates Z: 50 31.723 2.113 0.549 0.628 0.918 0.694 CA 1.337 50 residues pruned to eliminate duplicates Z: 45 36.572 2.145 0.670 0.717 0.955 0.773 CA 1.325 45 residues pruned to eliminate duplicates Z: 52 39.265 2.120 0.729 0.681 0.961 0.824 CA 1.322 52 residues pruned to eliminate duplicates Z: 51 43.220 2.176 0.700 0.671 0.980 0.800 CA 1.439 51 residues pruned to eliminate duplicates Z: 43 41.123 2.175 0.720 0.742 1.000 0.881 CA 1.365 43 residues pruned to eliminate duplicates Z: 68 48.887 2.132 0.864 0.596 0.970 0.597 CB 1.414 68 residues pruned to eliminate duplicates Z: 36 35.838 2.066 0.821 0.667 0.943 0.686 CA 1.463 36 residues pruned to eliminate duplicates Z: 32 32.824 2.123 0.790 0.720 0.968 0.742 CA 1.314 32 residues pruned to eliminate duplicates Z: 78 49.686 2.140 0.780 0.596 0.935 0.649 CA 1.451 78 residues pruned to eliminate duplicates Z: 64 43.254 2.141 0.645 0.602 0.937 0.730 CA 1.499 64 residues pruned to eliminate duplicates Z: 47 30.850 2.032 0.691 0.567 0.870 0.522 CA 1.427 47 residues pruned to eliminate duplicates Z: 43 35.432 2.156 0.597 0.720 0.952 0.714 CA 1.366 43 residues pruned to eliminate duplicates Z: 53 38.852 2.088 0.838 0.617 0.904 0.577 CB 1.391 53 residues pruned to eliminate duplicates Z: 39 36.980 2.141 0.747 0.679 0.947 0.711 CA 1.436 39 residues pruned to eliminate duplicates Z: 30 38.872 2.167 0.941 0.769 0.966 0.759 CA 1.401 30 residues pruned to eliminate duplicates Z: 65 47.428 2.175 0.767 0.594 0.938 0.672 CB 1.504 65 residues pruned to eliminate duplicates Z: 32 38.972 2.138 0.971 0.747 0.968 0.710 CA 1.376 32 residues pruned to eliminate duplicates Z: 34 34.587 2.087 0.972 0.673 0.939 0.667 CA 1.328 34 residues pruned to eliminate duplicates Z: 64 39.483 2.087 0.587 0.581 0.968 0.698 CA 1.436 64 residues pruned to eliminate duplicates Z: 54 40.623 2.138 0.684 0.644 0.925 0.755 CB 1.466 54 residues pruned to eliminate duplicates Z: 44 42.217 2.148 0.798 0.735 0.977 0.791 CA 1.382 44 residues pruned to eliminate duplicates Z: 30 35.277 2.160 0.833 0.771 0.966 0.793 CA 1.348 30 residues pruned to eliminate duplicates Z: 57 40.590 2.146 0.629 0.625 0.946 0.661 CA 1.458 57 residues pruned to eliminate duplicates Z: 52 37.949 2.068 0.601 0.677 0.941 0.745 CA 1.448 52 residues pruned to eliminate duplicates Z: 46 32.639 2.084 0.585 0.692 0.956 0.733 CA 1.293 46 residues pruned to eliminate duplicates Z: 53 38.756 2.068 0.735 0.674 0.962 0.673 CA 1.326 53 residues pruned to eliminate duplicates Z: 46 39.959 2.135 0.840 0.727 0.978 0.800 CA 1.264 46 residues pruned to eliminate duplicates Z: 52 35.895 2.084 0.618 0.675 0.961 0.686 CA 1.320 52 residues pruned to eliminate duplicates Z: 43 35.935 2.136 0.653 0.734 0.976 0.762 CA 1.303 43 residues pruned to eliminate duplicates Z: 46 34.033 2.106 0.613 0.697 0.978 0.756 CA 1.276 46 residues pruned to eliminate duplicates Z: 17 14.144 2.011 0.368 0.590 0.938 0.812 CA 1.257 17 residues pruned to eliminate duplicates Z: 37 23.892 2.108 0.695 0.468 0.889 0.528 CB 1.295 37 residues pruned to eliminate duplicates Z: 64 43.987 2.111 0.708 0.585 0.984 0.603 CA 1.440 64 residues pruned to eliminate duplicates Z: 65 48.968 2.152 0.841 0.603 0.953 0.656 CA 1.470 65 residues pruned to eliminate duplicates Z: 51 43.394 2.117 0.679 0.679 1.000 0.680 CA 1.464 51 residues pruned to eliminate duplicates Z: 54 37.937 2.115 0.709 0.641 0.943 0.774 CA 1.339 54 residues pruned to eliminate duplicates Z: 71 47.070 2.171 0.760 0.592 0.943 0.657 CB 1.430 71 residues pruned to eliminate duplicates Z: 53 46.267 2.178 0.778 0.640 1.000 0.673 CA 1.454 53 residues pruned to eliminate duplicates Z: 58 40.844 2.062 0.736 0.620 0.947 0.632 CA 1.424 58 residues pruned to eliminate duplicates Z: 51 42.037 2.187 0.731 0.648 0.980 0.540 CA 1.396 51 residues pruned to eliminate duplicates Z: 82 45.868 2.146 0.671 0.577 0.877 0.642 CB 1.505 82 residues pruned to eliminate duplicates Z: 41 30.343 2.175 0.706 0.532 0.900 0.475 CB 1.392 41 residues pruned to eliminate duplicates Z: 11 7.866 1.938 0.928 0.315 0.800 0.200 CB 1.021 11 residues pruned to eliminate duplicates Z: 79 47.302 2.124 0.694 0.570 0.962 0.628 CB 1.446 79 residues pruned to eliminate duplicates Z: 69 46.640 2.157 0.769 0.601 0.971 0.647 CB 1.388 69 residues pruned to eliminate duplicates Z: 72 43.480 2.103 0.735 0.583 0.944 0.662 CB 1.384 72 residues pruned to eliminate duplicates Z: 54 44.230 2.176 0.744 0.654 0.981 0.679 CA 1.414 54 residues pruned to eliminate duplicates Z: 10 14.329 2.339 0.743 0.331 0.889 0.556 CB 1.586 10 residues pruned to eliminate duplicates Z: 74 45.347 2.155 0.679 0.585 0.904 0.589 CA 1.495 74 residues pruned to eliminate duplicates Z: 10 11.011 2.244 0.446 0.398 0.889 0.556 CB 1.418 10 residues pruned to eliminate duplicates Z: 62 45.174 2.164 0.717 0.605 0.951 0.623 CB 1.483 62 residues pruned to eliminate duplicates Z: 79 46.160 2.154 0.702 0.568 0.923 0.551 CB 1.446 79 residues pruned to eliminate duplicates Z: 21 13.393 2.002 0.535 0.378 0.950 0.700 CB 1.169 21 residues pruned to eliminate duplicates Z: 18 13.295 2.055 0.652 0.398 0.941 0.529 CB 1.124 18 residues pruned to eliminate duplicates Z: 10 15.466 2.184 1.040 0.478 0.778 0.667 CB 1.522 10 residues pruned to eliminate duplicates Z: 29 28.710 2.202 0.874 0.462 0.893 0.536 CB 1.531 29 residues pruned to eliminate duplicates Z: 22 20.602 2.097 0.657 0.458 0.952 0.429 CB 1.418 22 residues pruned to eliminate duplicates Z: 23 21.521 2.238 0.901 0.368 0.909 0.455 CB 1.367 23 residues pruned to eliminate duplicates Z: 79 49.969 2.120 0.898 0.552 0.949 0.538 CB 1.409 79 residues pruned to eliminate duplicates Z: 80 45.236 2.136 0.742 0.558 0.886 0.608 CB 1.459 80 residues pruned to eliminate duplicates Z: 15 15.499 1.982 0.652 0.539 0.857 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 78 42.729 2.125 0.643 0.550 0.922 0.519 CB 1.440 78 residues pruned to eliminate duplicates Z: 13 27.367 2.133 0.893 0.682 1.000 0.583 CB 1.656 13 residues pruned to eliminate duplicates Z: 15 18.798 1.844 0.970 0.500 0.929 0.500 CA 1.490 15 residues pruned to eliminate duplicates Z: 18 15.780 1.723 0.730 0.535 0.941 0.588 CA 1.318 18 residues pruned to eliminate duplicates Z: 13 13.320 1.869 0.557 0.602 0.833 0.417 CB 1.439 13 residues pruned to eliminate duplicates Z: 64 52.504 2.178 0.959 0.601 0.937 0.476 CB 1.504 64 residues pruned to eliminate duplicates Z: 14 15.940 1.887 0.780 0.640 0.769 0.308 CB 1.501 14 residues pruned to eliminate duplicates Z: 8 7.126 1.938 0.593 0.403 0.857 0.286 CA 1.127 10 residues pruned to eliminate duplicates Z: 7 9.887 2.001 0.895 0.497 0.833 0.667 CA 1.282 8 residues pruned to eliminate duplicates Z: 6 3.372 1.568 0.712 0.181 0.800 0.400 CA 1.031 6 residues pruned to eliminate duplicates Z: 7 3.638 1.613 0.901 0.254 0.667 0.333 CB 0.964 5 residues pruned to eliminate duplicates Z: 11 13.120 1.873 0.576 0.822 1.000 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 7 16.587 2.195 1.261 0.565 1.000 0.500 CA 1.282 7 residues pruned to eliminate duplicates Z: 23 15.003 1.809 0.701 0.600 0.818 0.364 CB 1.155 23 residues pruned to eliminate duplicates Z: 55 48.912 2.054 0.997 0.625 0.963 0.648 CB 1.497 55 residues pruned to eliminate duplicates Z: 31 27.175 2.051 0.847 0.574 0.900 0.633 CB 1.355 31 residues pruned to eliminate duplicates Z: 28 21.744 2.015 0.882 0.453 0.889 0.407 CB 1.303 30 residues pruned to eliminate duplicates Z: 6 3.836 1.617 0.401 0.312 0.800 0.200 CA 1.166 6 residues pruned to eliminate duplicates Z: 65 43.141 2.049 0.793 0.611 0.953 0.594 CB 1.386 65 residues pruned to eliminate duplicates Z: 14 17.558 2.086 0.885 0.439 0.923 0.462 CB 1.428 14 residues pruned to eliminate duplicates Z: 31 17.539 1.946 0.711 0.376 0.900 0.267 CB 1.220 31 residues pruned to eliminate duplicates Z: 24 17.326 2.029 0.856 0.358 0.870 0.478 CA 1.285 24 residues pruned to eliminate duplicates Z: 34 26.509 2.039 0.764 0.515 0.939 0.455 CB 1.347 34 residues pruned to eliminate duplicates Z: 66 43.621 2.058 0.814 0.595 0.938 0.585 CB 1.411 66 residues pruned to eliminate duplicates Z: 40 21.817 1.958 0.693 0.423 0.846 0.487 CB 1.350 40 residues pruned to eliminate duplicates Z: 21 13.388 1.973 0.682 0.301 0.900 0.400 CB 1.251 21 residues pruned to eliminate duplicates Z: 31 30.977 2.019 1.020 0.550 0.933 0.433 CA 1.414 31 residues pruned to eliminate duplicates Z: 6 2.311 1.424 0.641 0.183 0.600 0.600 CA 1.079 Z: 6 2.933 1.658 0.781 0.442 1.000 0.600 CA 0.472 6 residues pruned to eliminate duplicates Z: 38 20.432 1.967 0.482 0.465 0.838 0.703 CB 1.425 38 residues pruned to eliminate duplicates Z: 24 25.437 2.133 0.787 0.546 0.913 0.652 CB 1.456 27 residues pruned to eliminate duplicates Z: 6 4.385 1.521 0.631 0.419 1.000 0.600 CB 0.860 6 residues pruned to eliminate duplicates Z: 37 34.927 2.082 0.729 0.620 0.944 0.750 CB 1.529 37 residues pruned to eliminate duplicates Z: 37 26.807 2.037 0.714 0.518 0.889 0.694 CB 1.414 37 residues pruned to eliminate duplicates Z: 37 34.716 2.042 0.815 0.654 0.917 0.778 CB 1.476 37 residues pruned to eliminate duplicates Z: 37 34.302 2.100 0.738 0.630 0.944 0.694 CB 1.468 37 residues pruned to eliminate duplicates Z: 39 32.006 2.065 0.778 0.580 0.895 0.684 CB 1.464 39 residues pruned to eliminate duplicates Z: 53 42.729 2.052 0.849 0.671 0.942 0.750 CB 1.415 53 residues pruned to eliminate duplicates Z: 37 34.382 2.089 0.791 0.612 0.917 0.722 CB 1.502 37 residues pruned to eliminate duplicates Z: 28 37.583 2.179 0.925 0.697 0.926 0.667 CB 1.556 28 residues pruned to eliminate duplicates Z: 34 41.888 2.136 0.914 0.683 0.970 0.788 CB 1.555 34 residues pruned to eliminate duplicates Z: 37 34.964 2.087 0.744 0.624 0.944 0.694 CB 1.509 37 residues pruned to eliminate duplicates Z: 38 34.183 2.057 0.879 0.617 0.892 0.730 CB 1.459 38 residues pruned to eliminate duplicates Z: 37 39.738 2.080 0.979 0.645 0.944 0.694 CB 1.487 37 residues pruned to eliminate duplicates Z: 39 33.308 2.071 0.838 0.584 0.921 0.684 CB 1.422 39 residues pruned to eliminate duplicates Z: 44 32.268 1.971 0.833 0.532 0.930 0.605 CB 1.418 44 residues pruned to eliminate duplicates Z: 62 44.662 2.052 0.896 0.572 0.918 0.689 CB 1.493 62 residues pruned to eliminate duplicates Z: 65 41.644 2.031 0.786 0.605 0.938 0.641 CB 1.385 65 residues pruned to eliminate duplicates Z: 38 40.133 2.103 0.895 0.656 0.946 0.622 CB 1.514 38 residues pruned to eliminate duplicates Z: 38 38.593 2.090 0.955 0.629 0.919 0.811 CB 1.496 38 residues pruned to eliminate duplicates Z: 37 37.858 2.108 0.822 0.646 0.917 0.778 CB 1.563 37 residues pruned to eliminate duplicates Z: 38 39.278 2.075 0.928 0.665 0.919 0.730 CB 1.507 38 residues pruned to eliminate duplicates Z: 36 36.874 2.061 0.798 0.670 0.971 0.714 CB 1.480 36 residues pruned to eliminate duplicates Z: 35 42.716 2.134 1.005 0.658 0.941 0.676 CB 1.572 38 residues pruned to eliminate duplicates Z: 25 30.172 1.958 0.713 0.824 1.000 0.792 CB 1.387 25 residues pruned to eliminate duplicates Z: 53 41.320 2.023 0.860 0.643 0.942 0.673 CB 1.414 53 residues pruned to eliminate duplicates Z: 46 35.139 2.015 0.807 0.594 0.933 0.711 CB 1.409 37 residues pruned to eliminate duplicates Z: 14 11.216 1.805 0.320 0.703 0.923 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 46 38.182 2.037 0.721 0.699 0.956 0.711 CB 1.416 46 residues pruned to eliminate duplicates Z: 31 26.288 1.871 0.870 0.590 0.900 0.533 CB 1.399 31 residues pruned to eliminate duplicates Z: 56 34.526 1.942 0.817 0.585 0.909 0.582 CB 1.337 56 residues pruned to eliminate duplicates Z: 16 12.581 1.788 0.642 0.656 0.867 0.533 CB 1.104 16 residues pruned to eliminate duplicates Z: 12 14.865 1.857 0.510 0.839 1.000 0.364 CB 1.194 12 residues pruned to eliminate duplicates Z: 19 21.006 1.845 0.902 0.696 1.000 0.500 CB 1.180 19 residues pruned to eliminate duplicates Z: 14 20.732 2.032 0.869 0.630 0.923 0.462 CA 1.452 14 residues pruned to eliminate duplicates Z: 14 13.276 1.930 0.742 0.374 0.923 0.615 CB 1.358 13 residues pruned to eliminate duplicates 724 residues left after pruning, divided into chains as follows: A: 7 B: 13 C: 7 D: 7 E: 11 F: 8 G: 6 H: 11 I: 19 J: 17 K: 20 L: 19 M: 35 N: 35 O: 91 P: 30 Q: 152 R: 156 S: 7 T: 63 U: 10 CC for partial structure against native data = 27.46 % ------------------------------------------------------------------------------ Global autotracing cycle 8 = 0.300, Contrast = 0.385, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.524, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.557, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6448 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1274 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 20.790 2.177 0.874 0.826 1.000 0.857 CB 1.452 B: 15 18.491 2.060 0.617 0.551 1.000 0.571 CB 1.412 C: 23 31.201 1.921 0.762 0.890 1.000 0.727 CA 1.414 D: 32 19.329 2.077 0.585 0.449 0.839 0.516 CB 1.326 E: 30 12.711 2.066 0.418 0.315 0.724 0.517 CB 1.365 F: 9 12.091 1.856 0.450 0.887 0.750 0.375 CB 1.527 G: 21 24.253 2.093 0.499 0.889 0.900 0.700 CB 1.383 H: 21 32.302 2.074 0.697 0.925 0.950 0.850 CB 1.516 23 residues pruned to eliminate duplicates I: 20 19.971 2.191 0.753 0.535 0.842 0.579 CB 1.369 23 residues pruned to eliminate duplicates J: 21 35.236 2.034 0.807 0.924 1.000 1.000 CB 1.505 21 residues pruned to eliminate duplicates K: 30 27.451 2.210 0.833 0.467 0.931 0.586 CB 1.398 29 residues pruned to eliminate duplicates L: 11 18.976 2.098 0.762 0.900 0.900 0.800 CB 1.289 M: 12 14.454 2.053 0.215 0.833 1.000 0.727 CB 1.310 N: 11 20.379 2.063 0.701 0.927 1.000 0.800 CB 1.287 11 residues pruned to eliminate duplicates O: 31 27.414 2.045 0.490 0.641 0.967 0.833 CA 1.489 18 residues pruned to eliminate duplicates P: 46 19.516 1.898 0.426 0.433 0.822 0.533 CB 1.402 26 residues pruned to eliminate duplicates Q: 20 13.745 1.838 0.506 0.415 0.947 0.579 CB 1.314 R: 22 34.274 2.151 0.585 0.894 1.000 0.810 CA 1.574 S: 34 16.238 2.094 0.350 0.368 0.758 0.455 CB 1.520 34 residues pruned to eliminate duplicates T: 8 8.416 1.708 0.136 0.814 1.000 0.429 CA 1.247 8 residues pruned to eliminate duplicates U: 18 13.805 1.937 0.517 0.378 0.882 0.471 CB 1.471 18 residues pruned to eliminate duplicates V: 14 10.051 1.743 0.435 0.564 0.769 0.385 CA 1.362 9 residues pruned to eliminate duplicates W: 74 31.382 2.064 0.545 0.417 0.863 0.548 CB 1.455 65 residues pruned to eliminate duplicates X: 26 15.031 2.046 0.500 0.354 0.840 0.520 CB 1.365 Y: 21 38.558 2.075 0.944 0.924 1.000 0.500 CB 1.500 20 residues pruned to eliminate duplicates Z: 14 9.247 2.094 0.230 0.415 0.769 0.462 CB 1.416 13 residues pruned to eliminate duplicates Z: 8 10.435 2.016 0.919 0.395 1.000 0.286 CA 1.139 Z: 21 41.623 2.236 0.787 0.927 1.000 0.550 CB 1.632 22 residues pruned to eliminate duplicates Z: 10 15.265 1.970 0.655 0.739 0.889 0.889 CA 1.417 Z: 22 27.202 1.937 0.620 0.889 1.000 0.810 CA 1.362 22 residues pruned to eliminate duplicates Z: 11 12.662 1.904 0.387 0.853 1.000 0.800 CA 1.121 11 residues pruned to eliminate duplicates Z: 21 44.677 2.187 1.005 0.931 1.000 0.850 CA 1.592 21 residues pruned to eliminate duplicates Z: 8 12.431 2.164 0.584 0.561 1.000 0.429 CB 1.292 8 residues pruned to eliminate duplicates Z: 22 44.054 2.059 1.085 0.948 1.000 0.714 CB 1.547 21 residues pruned to eliminate duplicates Z: 12 16.595 1.999 0.850 0.462 0.909 0.636 CB 1.546 12 residues pruned to eliminate duplicates Z: 23 25.511 1.955 0.536 0.873 1.000 0.864 CA 1.319 23 residues pruned to eliminate duplicates Z: 22 32.430 2.100 0.741 0.864 0.905 0.524 CB 1.568 22 residues pruned to eliminate duplicates Z: 21 36.288 2.240 0.616 0.912 1.000 0.950 CB 1.588 21 residues pruned to eliminate duplicates Z: 36 22.015 2.049 0.354 0.491 0.914 0.571 CB 1.480 9 residues pruned to eliminate duplicates Z: 17 16.148 2.034 1.053 0.375 0.812 0.375 CB 1.359 14 residues pruned to eliminate duplicates Z: 11 19.853 2.085 0.672 0.870 1.000 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 29 26.679 2.031 0.931 0.587 0.929 0.643 CB 1.274 Z: 10 9.665 1.825 0.436 0.752 0.667 0.444 CB 1.472 10 residues pruned to eliminate duplicates Z: 21 18.643 2.015 0.683 0.625 0.900 0.500 CB 1.214 11 residues pruned to eliminate duplicates Z: 51 33.018 2.008 0.621 0.617 0.900 0.580 CB 1.426 21 residues pruned to eliminate duplicates Z: 21 41.063 2.171 0.807 0.945 1.000 0.450 CA 1.619 21 residues pruned to eliminate duplicates Z: 11 13.778 1.728 0.566 0.790 0.900 0.700 CB 1.387 10 residues pruned to eliminate duplicates Z: 20 21.452 2.112 0.367 0.893 0.842 0.632 CB 1.453 20 residues pruned to eliminate duplicates Z: 21 27.297 2.084 0.640 0.879 0.950 0.650 CB 1.363 20 residues pruned to eliminate duplicates Z: 29 14.494 1.933 0.415 0.479 0.821 0.536 CB 1.245 Z: 22 40.178 2.205 0.798 0.936 1.000 0.810 CB 1.540 22 residues pruned to eliminate duplicates Z: 19 24.153 2.020 0.574 0.898 0.944 0.722 CA 1.356 19 residues pruned to eliminate duplicates Z: 18 30.531 2.100 0.650 0.881 1.000 0.706 CB 1.548 17 residues pruned to eliminate duplicates Z: 13 7.730 1.918 0.456 0.474 0.667 0.417 CB 1.231 13 residues pruned to eliminate duplicates Z: 9 18.683 1.949 0.717 0.846 1.000 0.625 CB 1.466 9 residues pruned to eliminate duplicates Z: 14 27.433 2.228 0.764 0.890 0.923 0.692 CB 1.509 15 residues pruned to eliminate duplicates Z: 19 13.078 1.998 0.338 0.449 0.833 0.611 CB 1.457 19 residues pruned to eliminate duplicates Z: 21 36.354 2.064 0.809 0.917 1.000 0.900 CB 1.537 21 residues pruned to eliminate duplicates Z: 12 10.608 2.009 0.347 0.548 0.818 0.545 CB 1.378 12 residues pruned to eliminate duplicates Z: 32 17.886 1.989 0.644 0.389 0.774 0.419 CA 1.427 9 residues pruned to eliminate duplicates Z: 8 6.143 1.681 0.454 0.431 0.714 0.571 CA 1.428 Z: 22 30.994 2.007 0.829 0.905 1.000 0.667 CB 1.311 22 residues pruned to eliminate duplicates Z: 9 18.171 2.080 0.736 0.742 1.000 0.875 CB 1.431 9 residues pruned to eliminate duplicates Z: 18 16.122 2.059 0.303 0.557 0.941 0.588 CB 1.465 Z: 17 20.559 1.956 0.501 0.868 0.938 0.875 CA 1.365 17 residues pruned to eliminate duplicates Z: 22 38.366 2.154 0.805 0.879 1.000 0.619 CB 1.562 22 residues pruned to eliminate duplicates Z: 36 19.987 2.007 0.429 0.434 0.914 0.657 CB 1.379 36 residues pruned to eliminate duplicates Z: 13 11.884 1.979 0.254 0.880 1.000 0.750 CB 1.001 13 residues pruned to eliminate duplicates Z: 15 8.624 2.014 0.228 0.375 0.714 0.571 CB 1.491 15 residues pruned to eliminate duplicates Z: 22 34.458 2.169 0.561 0.906 1.000 0.905 CA 1.579 22 residues pruned to eliminate duplicates Z: 18 23.302 1.922 0.810 0.759 0.882 0.412 CA 1.462 18 residues pruned to eliminate duplicates Z: 20 33.706 2.101 0.841 0.914 1.000 0.895 CB 1.414 20 residues pruned to eliminate duplicates Z: 7 3.192 1.839 0.484 0.249 0.667 0.667 CB 0.956 7 residues pruned to eliminate duplicates Z: 20 13.954 1.986 0.543 0.363 0.895 0.579 CB 1.352 16 residues pruned to eliminate duplicates Z: 20 29.590 2.214 0.713 0.910 0.842 0.579 CB 1.507 20 residues pruned to eliminate duplicates Z: 55 25.801 1.990 0.455 0.422 0.889 0.593 CB 1.479 55 residues pruned to eliminate duplicates Z: 28 19.404 2.065 0.551 0.378 0.926 0.444 CA 1.436 23 residues pruned to eliminate duplicates Z: 9 15.841 1.930 0.544 0.861 1.000 0.875 CB 1.380 9 residues pruned to eliminate duplicates Z: 22 36.977 2.025 1.079 0.942 1.000 0.429 CB 1.329 22 residues pruned to eliminate duplicates Z: 11 6.650 1.865 0.330 0.410 0.800 0.400 CB 1.165 11 residues pruned to eliminate duplicates Z: 12 7.060 1.736 0.256 0.360 0.909 0.364 CB 1.249 Z: 10 10.978 1.735 0.902 0.454 0.778 0.778 C 1.494 Z: 26 15.011 1.954 0.430 0.373 0.880 0.560 CB 1.399 26 residues pruned to eliminate duplicates Z: 17 8.849 2.061 0.332 0.399 0.625 0.438 CB 1.435 16 residues pruned to eliminate duplicates Z: 84 46.221 2.128 0.729 0.557 0.904 0.482 CB 1.444 75 residues pruned to eliminate duplicates Z: 10 7.663 1.874 0.344 0.502 0.889 0.556 CB 1.139 Z: 23 30.948 1.984 0.566 0.919 1.000 0.864 CB 1.496 23 residues pruned to eliminate duplicates Z: 10 13.316 1.887 0.607 0.756 0.778 0.556 CB 1.499 9 residues pruned to eliminate duplicates Z: 62 36.545 1.921 0.828 0.562 0.934 0.590 CB 1.343 59 residues pruned to eliminate duplicates Z: 21 29.177 2.112 0.758 0.919 0.950 0.750 CB 1.304 22 residues pruned to eliminate duplicates Z: 9 11.879 1.813 1.195 0.447 1.000 0.750 CA 1.114 9 residues pruned to eliminate duplicates Z: 9 13.013 1.825 0.409 0.830 0.875 0.500 CA 1.537 9 residues pruned to eliminate duplicates Z: 14 4.941 1.761 0.286 0.366 0.769 0.538 CB 0.908 Z: 12 18.637 1.989 0.728 0.455 1.000 0.636 CB 1.711 14 residues pruned to eliminate duplicates Z: 36 22.467 1.999 0.484 0.457 0.914 0.571 CA 1.463 36 residues pruned to eliminate duplicates Z: 26 11.622 1.910 0.226 0.337 0.920 0.680 CB 1.289 26 residues pruned to eliminate duplicates Z: 6 7.749 1.900 0.086 0.836 1.000 0.800 N 1.258 Z: 11 18.978 1.989 0.909 0.491 1.000 0.600 CB 1.594 11 residues pruned to eliminate duplicates Z: 19 32.090 2.051 0.841 0.899 1.000 0.889 CA 1.432 19 residues pruned to eliminate duplicates Z: 33 19.686 2.018 0.454 0.431 0.938 0.469 CB 1.359 27 residues pruned to eliminate duplicates Z: 36 24.162 2.044 0.481 0.479 0.943 0.600 CA 1.463 37 residues pruned to eliminate duplicates Z: 21 31.212 1.969 0.853 0.908 1.000 0.750 CB 1.359 21 residues pruned to eliminate duplicates Z: 10 11.214 1.655 0.334 0.816 1.000 0.778 CA 1.287 10 residues pruned to eliminate duplicates Z: 21 27.351 2.091 0.592 0.902 0.950 0.800 CB 1.379 21 residues pruned to eliminate duplicates Z: 12 14.989 2.061 0.512 0.554 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 10 16.621 1.867 0.602 0.876 1.000 0.778 CB 1.346 10 residues pruned to eliminate duplicates Z: 15 9.545 1.836 0.428 0.466 0.786 0.571 CB 1.282 14 residues pruned to eliminate duplicates Z: 8 3.967 1.601 0.322 0.563 0.857 0.714 CB 0.777 Z: 21 33.884 2.054 0.678 0.920 1.000 0.800 CB 1.548 21 residues pruned to eliminate duplicates Z: 14 6.160 1.650 0.268 0.497 0.769 0.538 CB 1.065 Z: 14 7.007 1.828 0.603 0.306 0.615 0.462 CB 1.337 13 residues pruned to eliminate duplicates Z: 36 16.841 2.019 0.444 0.308 0.800 0.457 CA 1.511 36 residues pruned to eliminate duplicates Z: 35 23.923 2.026 0.586 0.494 0.941 0.676 CB 1.364 34 residues pruned to eliminate duplicates Z: 22 33.382 2.012 0.759 0.898 1.000 0.810 CB 1.472 22 residues pruned to eliminate duplicates Z: 28 16.717 1.942 0.355 0.486 0.889 0.667 CB 1.395 28 residues pruned to eliminate duplicates Z: 23 24.569 2.012 0.256 0.933 1.000 0.864 CB 1.446 21 residues pruned to eliminate duplicates Z: 10 16.975 1.909 0.566 0.860 1.000 0.778 CA 1.392 10 residues pruned to eliminate duplicates Z: 24 19.588 2.080 0.490 0.510 0.913 0.609 CA 1.429 24 residues pruned to eliminate duplicates Z: 9 19.177 1.979 1.026 0.911 1.000 0.875 CB 1.199 9 residues pruned to eliminate duplicates Z: 13 8.915 1.963 0.457 0.374 0.750 0.667 CB 1.372 13 residues pruned to eliminate duplicates Z: 18 11.938 1.832 0.517 0.503 0.941 0.588 CB 1.103 Z: 31 17.185 2.021 0.533 0.395 0.800 0.467 CA 1.415 31 residues pruned to eliminate duplicates Z: 27 17.019 1.927 0.574 0.388 0.885 0.462 CA 1.401 27 residues pruned to eliminate duplicates Z: 38 13.225 1.875 0.170 0.403 0.865 0.514 CB 1.269 Z: 6 11.183 1.891 0.692 0.677 1.000 0.600 CA 1.327 6 residues pruned to eliminate duplicates Z: 20 41.974 2.233 0.950 0.896 1.000 0.632 CA 1.584 20 residues pruned to eliminate duplicates Z: 6 3.191 1.583 0.055 0.709 0.800 0.800 O 0.883 Z: 21 40.538 2.184 0.826 0.937 1.000 0.600 CA 1.583 21 residues pruned to eliminate duplicates Z: 15 9.105 2.063 0.168 0.498 0.786 0.643 CB 1.287 15 residues pruned to eliminate duplicates Z: 10 20.558 1.964 0.874 0.849 0.889 0.333 CB 1.552 11 residues pruned to eliminate duplicates Z: 29 25.651 2.133 0.783 0.448 0.857 0.643 CB 1.569 33 residues pruned to eliminate duplicates Z: 14 9.075 1.869 0.249 0.462 0.923 0.692 CB 1.214 15 residues pruned to eliminate duplicates Z: 9 16.630 2.015 0.500 0.907 1.000 0.625 CB 1.383 9 residues pruned to eliminate duplicates Z: 8 7.740 2.025 0.666 0.565 0.714 0.429 CA 1.139 8 residues pruned to eliminate duplicates Z: 13 16.779 2.150 0.251 0.890 1.000 0.833 CB 1.295 13 residues pruned to eliminate duplicates Z: 36 24.785 2.027 0.512 0.507 0.943 0.686 CB 1.440 36 residues pruned to eliminate duplicates Z: 6 9.668 2.003 0.178 0.822 1.000 1.000 CB 1.386 6 residues pruned to eliminate duplicates Z: 13 13.275 1.869 0.642 0.434 0.917 0.500 CA 1.459 4 residues pruned to eliminate duplicates 6 0.831 1.661 -0.446 0.594 0.600 0.400 CB 0.615 ? Z: 22 37.242 2.004 1.008 0.925 0.952 0.714 CB 1.488 22 residues pruned to eliminate duplicates Z: 35 25.838 2.035 0.578 0.466 1.000 0.559 CB 1.428 34 residues pruned to eliminate duplicates Z: 18 11.917 1.860 0.471 0.509 0.882 0.529 CB 1.186 18 residues pruned to eliminate duplicates Z: 32 18.563 2.043 0.400 0.409 0.903 0.548 CB 1.420 32 residues pruned to eliminate duplicates Z: 8 9.844 1.665 0.500 0.840 1.000 1.000 CA 1.112 Z: 30 20.639 2.083 0.684 0.406 0.828 0.414 CB 1.458 30 residues pruned to eliminate duplicates Z: 21 38.360 2.236 0.678 0.927 1.000 0.850 CA 1.602 21 residues pruned to eliminate duplicates Z: 8 3.574 1.724 0.491 0.349 0.714 0.571 CB 0.866 8 residues pruned to eliminate duplicates Z: 21 32.252 2.124 0.700 0.938 1.000 0.750 CB 1.389 21 residues pruned to eliminate duplicates Z: 35 22.183 2.072 0.526 0.510 0.853 0.441 CB 1.396 40 residues pruned to eliminate duplicates Z: 10 9.433 1.618 0.366 0.859 0.889 0.778 CA 1.177 10 residues pruned to eliminate duplicates Z: 37 20.787 2.002 0.368 0.444 0.889 0.611 CB 1.508 37 residues pruned to eliminate duplicates Z: 21 40.870 2.064 1.054 0.904 1.000 0.650 CB 1.535 21 residues pruned to eliminate duplicates Z: 10 22.469 2.066 0.792 0.890 1.000 0.667 CA 1.455 10 residues pruned to eliminate duplicates Z: 21 40.859 2.205 0.863 0.928 1.000 0.600 CB 1.557 21 residues pruned to eliminate duplicates Z: 19 13.693 1.721 0.580 0.396 0.944 0.389 CA 1.403 19 residues pruned to eliminate duplicates Z: 21 28.276 2.126 0.498 0.923 1.000 0.750 CB 1.396 21 residues pruned to eliminate duplicates Z: 22 34.991 2.175 0.779 0.885 0.952 0.857 CB 1.496 22 residues pruned to eliminate duplicates Z: 21 30.285 2.076 0.775 0.923 1.000 0.650 CB 1.291 21 residues pruned to eliminate duplicates Z: 14 5.648 1.890 0.116 0.444 0.769 0.692 CB 1.023 14 residues pruned to eliminate duplicates Z: 13 13.970 1.989 0.466 0.558 1.000 0.667 CB 1.306 14 residues pruned to eliminate duplicates Z: 34 24.909 2.125 0.617 0.482 0.879 0.667 CB 1.463 34 residues pruned to eliminate duplicates Z: 26 19.530 2.140 0.519 0.439 0.840 0.520 CB 1.522 26 residues pruned to eliminate duplicates Z: 22 18.860 2.068 0.566 0.554 0.952 0.667 CB 1.266 22 residues pruned to eliminate duplicates Z: 9 2.523 1.836 0.031 0.476 0.875 0.500 CB 0.552 9 residues pruned to eliminate duplicates Z: 20 14.645 1.972 0.595 0.441 0.947 0.632 CB 1.198 14 residues pruned to eliminate duplicates Z: 22 23.586 2.084 0.292 0.907 0.952 0.810 CB 1.426 22 residues pruned to eliminate duplicates Z: 22 30.620 2.129 0.619 0.902 0.952 0.667 CB 1.451 22 residues pruned to eliminate duplicates Z: 34 22.747 1.913 0.754 0.501 0.879 0.545 CB 1.342 34 residues pruned to eliminate duplicates Z: 21 22.020 2.103 0.348 0.876 1.000 0.700 CB 1.262 21 residues pruned to eliminate duplicates Z: 12 6.408 1.695 0.127 0.483 0.818 0.636 CA 1.258 12 residues pruned to eliminate duplicates Z: 27 10.321 1.816 0.203 0.342 0.846 0.615 CB 1.301 27 residues pruned to eliminate duplicates Z: 35 24.718 2.055 0.500 0.489 0.941 0.588 CA 1.478 35 residues pruned to eliminate duplicates Z: 31 24.817 2.116 0.703 0.400 0.933 0.533 CB 1.497 31 residues pruned to eliminate duplicates Z: 7 13.230 1.957 0.725 0.643 1.000 0.667 CB 1.401 10 residues pruned to eliminate duplicates Z: 13 11.615 2.033 0.478 0.435 0.833 0.583 CB 1.433 13 residues pruned to eliminate duplicates Z: 19 24.791 1.989 0.595 0.871 0.944 0.722 CA 1.423 19 residues pruned to eliminate duplicates Z: 22 37.265 2.033 0.993 0.923 0.952 0.714 CB 1.481 22 residues pruned to eliminate duplicates Z: 35 17.067 1.992 0.337 0.426 0.853 0.559 CB 1.391 35 residues pruned to eliminate duplicates Z: 9 4.193 1.743 0.055 0.544 0.750 0.750 CB 1.029 9 residues pruned to eliminate duplicates Z: 11 17.968 2.069 0.623 0.851 1.000 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 24 17.255 2.061 0.570 0.363 0.783 0.522 CB 1.646 24 residues pruned to eliminate duplicates Z: 9 10.735 1.908 0.670 0.814 0.625 0.375 CB 1.450 9 residues pruned to eliminate duplicates Z: 21 29.313 2.103 0.618 0.915 1.000 0.700 CB 1.362 21 residues pruned to eliminate duplicates Z: 12 13.138 2.030 0.477 0.880 0.909 0.727 CB 1.053 12 residues pruned to eliminate duplicates Z: 23 13.195 1.850 0.552 0.422 0.864 0.545 CB 1.231 8 residues pruned to eliminate duplicates Z: 7 11.162 1.835 0.311 0.863 1.000 0.833 CB 1.390 7 residues pruned to eliminate duplicates Z: 30 13.552 1.892 0.269 0.362 0.897 0.586 CB 1.357 23 residues pruned to eliminate duplicates Z: 14 11.616 1.751 0.575 0.511 0.846 0.385 CA 1.366 14 residues pruned to eliminate duplicates Z: 12 10.572 2.040 0.780 0.397 0.818 0.545 CB 1.196 12 residues pruned to eliminate duplicates Z: 18 27.561 2.085 0.780 0.865 0.941 0.529 CA 1.401 18 residues pruned to eliminate duplicates Z: 10 13.852 1.832 0.435 0.896 1.000 0.778 CA 1.258 10 residues pruned to eliminate duplicates Z: 13 13.458 1.751 0.829 0.527 0.833 0.500 CA 1.417 13 residues pruned to eliminate duplicates Z: 24 16.382 1.891 0.471 0.525 0.826 0.478 CB 1.451 24 residues pruned to eliminate duplicates Z: 22 29.618 2.041 0.728 0.936 0.952 0.619 CB 1.340 22 residues pruned to eliminate duplicates Z: 8 4.524 1.761 0.130 0.538 0.857 0.714 CB 0.965 6 residues pruned to eliminate duplicates Z: 22 28.097 1.968 0.580 0.880 1.000 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 10 13.187 2.040 0.385 0.837 0.778 0.778 CA 1.497 10 residues pruned to eliminate duplicates Z: 12 14.417 1.943 0.526 0.475 0.909 0.818 CB 1.655 12 residues pruned to eliminate duplicates Z: 37 23.634 2.005 0.203 0.672 0.917 0.722 CA 1.520 42 residues pruned to eliminate duplicates Z: 10 9.378 1.891 0.604 0.533 0.889 0.667 CA 1.122 9 residues pruned to eliminate duplicates Z: 16 14.591 2.032 0.633 0.381 0.933 0.267 CB 1.381 16 residues pruned to eliminate duplicates Z: 15 8.720 2.017 0.297 0.357 0.714 0.571 CA 1.455 15 residues pruned to eliminate duplicates Z: 11 8.363 2.026 0.413 0.380 0.700 0.600 CB 1.500 11 residues pruned to eliminate duplicates Z: 10 12.983 1.940 0.560 0.633 0.889 0.778 CA 1.420 10 residues pruned to eliminate duplicates Z: 8 6.055 1.747 0.236 0.436 1.000 0.571 CB 1.132 Z: 22 39.272 2.119 0.839 0.932 1.000 0.667 CB 1.536 22 residues pruned to eliminate duplicates Z: 8 9.447 1.978 0.468 0.512 0.714 0.429 CA 1.701 8 residues pruned to eliminate duplicates Z: 8 5.029 1.810 0.355 0.264 0.857 0.571 N 1.184 8 residues pruned to eliminate duplicates Z: 20 11.528 1.831 0.352 0.397 0.947 0.579 CB 1.258 20 residues pruned to eliminate duplicates Z: 36 22.014 1.946 0.407 0.480 0.971 0.600 CB 1.427 36 residues pruned to eliminate duplicates Z: 9 10.418 1.900 0.408 0.564 1.000 0.875 CB 1.294 Z: 17 18.942 1.950 0.910 0.611 0.875 0.438 CB 1.309 17 residues pruned to eliminate duplicates Z: 10 12.853 2.102 0.420 0.541 0.889 0.556 CA 1.551 10 residues pruned to eliminate duplicates Z: 12 15.188 2.114 0.512 0.536 0.909 0.636 CB 1.522 12 residues pruned to eliminate duplicates Z: 7 6.311 1.681 0.608 0.541 0.833 0.667 CA 1.098 Z: 6 5.335 2.032 -0.014 0.703 1.000 1.000 CB 0.990 6 residues pruned to eliminate duplicates Z: 10 7.498 1.566 0.495 0.824 0.778 0.556 CA 1.037 10 residues pruned to eliminate duplicates Z: 7 11.721 1.772 0.673 0.853 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 9 8.762 1.982 0.398 0.566 1.000 0.750 CA 1.050 9 residues pruned to eliminate duplicates Z: 28 16.788 1.972 0.402 0.486 0.889 0.481 CB 1.333 28 residues pruned to eliminate duplicates Z: 22 30.233 1.968 0.735 0.916 0.952 0.857 CB 1.433 22 residues pruned to eliminate duplicates Z: 8 11.405 1.853 0.703 0.590 1.000 1.000 CA 1.253 8 residues pruned to eliminate duplicates Z: 9 8.173 1.967 0.476 0.502 0.875 0.625 CA 1.136 9 residues pruned to eliminate duplicates Z: 19 19.317 1.912 0.743 0.528 0.944 0.722 CB 1.408 19 residues pruned to eliminate duplicates Z: 18 9.033 1.808 0.349 0.457 0.765 0.471 CB 1.227 18 residues pruned to eliminate duplicates Z: 19 17.072 1.982 0.621 0.527 0.889 0.833 CB 1.372 19 residues pruned to eliminate duplicates Z: 57 39.404 2.004 0.815 0.644 0.893 0.571 CB 1.416 51 residues pruned to eliminate duplicates Z: 12 7.758 1.942 0.381 0.386 0.727 0.455 CB 1.354 11 residues pruned to eliminate duplicates Z: 19 12.661 1.930 0.507 0.431 0.778 0.444 CB 1.417 19 residues pruned to eliminate duplicates Z: 10 5.345 1.745 0.384 0.393 0.667 0.556 CB 1.239 10 residues pruned to eliminate duplicates Z: 22 10.555 1.770 0.537 0.308 0.905 0.524 CB 1.158 15 residues pruned to eliminate duplicates Z: 24 11.327 1.937 0.407 0.295 0.826 0.435 CB 1.319 24 residues pruned to eliminate duplicates Z: 12 13.391 1.991 0.670 0.618 1.000 0.909 CA 1.087 12 residues pruned to eliminate duplicates Z: 9 10.776 1.668 0.258 0.865 1.000 0.625 CA 1.329 9 residues pruned to eliminate duplicates Z: 15 7.104 1.680 0.618 0.313 0.714 0.286 CB 1.203 16 residues pruned to eliminate duplicates Z: 6 10.878 1.714 0.858 0.872 1.000 1.000 CA 1.113 6 residues pruned to eliminate duplicates Z: 31 15.535 1.898 0.322 0.474 0.900 0.533 CB 1.289 32 residues pruned to eliminate duplicates Z: 17 12.674 1.829 0.460 0.433 0.938 0.688 CB 1.357 17 residues pruned to eliminate duplicates Z: 10 12.890 2.093 0.325 0.553 0.889 0.556 CA 1.656 10 residues pruned to eliminate duplicates Z: 17 11.624 1.797 0.574 0.435 1.000 0.625 CA 1.099 Z: 11 7.037 1.795 0.240 0.625 0.700 0.500 CB 1.269 13 residues pruned to eliminate duplicates Z: 12 8.700 1.888 0.552 0.390 0.636 0.455 CA 1.580 12 residues pruned to eliminate duplicates Z: 14 11.009 1.866 0.490 0.362 1.000 0.615 CA 1.274 14 residues pruned to eliminate duplicates Z: 9 9.172 1.947 0.559 0.688 0.750 0.625 CB 1.200 11 residues pruned to eliminate duplicates Z: 29 33.080 2.143 0.737 0.670 0.964 0.857 CA 1.489 32 residues pruned to eliminate duplicates Z: 10 10.085 1.925 0.284 0.595 0.889 0.667 CB 1.398 10 residues pruned to eliminate duplicates Z: 14 14.536 1.842 0.643 0.568 0.923 0.615 CA 1.352 14 residues pruned to eliminate duplicates Z: 10 8.435 1.904 0.626 0.260 0.778 0.444 N 1.535 Z: 6 3.400 1.776 -0.068 0.661 0.800 0.800 CB 0.989 6 residues pruned to eliminate duplicates Z: 18 29.961 2.105 0.794 0.888 0.941 0.471 CA 1.473 18 residues pruned to eliminate duplicates Z: 17 7.299 1.766 0.347 0.402 0.750 0.562 CB 1.135 17 residues pruned to eliminate duplicates Z: 76 35.617 2.008 0.548 0.518 0.920 0.627 CA 1.413 76 residues pruned to eliminate duplicates Z: 15 7.360 1.951 0.239 0.295 0.857 0.500 CB 1.194 16 residues pruned to eliminate duplicates Z: 28 18.368 1.945 0.521 0.537 0.889 0.704 CB 1.297 28 residues pruned to eliminate duplicates Z: 9 7.550 1.685 0.381 0.513 0.875 0.500 CB 1.294 10 residues pruned to eliminate duplicates Z: 17 14.511 1.947 0.482 0.444 0.875 0.750 CA 1.522 17 residues pruned to eliminate duplicates Z: 20 32.890 2.042 0.756 0.925 1.000 0.789 CA 1.477 20 residues pruned to eliminate duplicates Z: 6 5.072 1.477 0.320 0.644 1.000 0.600 N 1.016 Z: 8 8.495 1.696 0.851 0.504 0.857 0.571 CB 1.188 8 residues pruned to eliminate duplicates Z: 6 5.116 1.770 0.017 0.738 0.800 0.400 CB 1.283 Z: 31 12.508 2.005 0.239 0.411 0.767 0.467 CA 1.316 31 residues pruned to eliminate duplicates Z: 22 39.946 2.054 1.052 0.942 1.000 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 8 6.412 1.767 -0.028 0.640 0.857 0.714 CB 1.445 7 residues pruned to eliminate duplicates Z: 34 21.734 2.036 0.447 0.490 0.970 0.667 CB 1.338 34 residues pruned to eliminate duplicates Z: 37 15.240 2.023 0.408 0.346 0.750 0.500 CB 1.405 26 residues pruned to eliminate duplicates Z: 68 40.788 2.064 0.569 0.575 0.970 0.642 CB 1.474 68 residues pruned to eliminate duplicates Z: 19 12.571 2.052 0.530 0.339 0.833 0.444 CA 1.349 19 residues pruned to eliminate duplicates Z: 12 6.193 1.633 0.611 0.445 0.727 0.364 CB 1.033 12 residues pruned to eliminate duplicates Z: 22 28.162 2.094 0.469 0.906 1.000 0.762 CB 1.422 22 residues pruned to eliminate duplicates Z: 7 2.605 1.709 0.030 0.167 0.667 0.167 N 1.359 Z: 21 12.197 1.987 0.407 0.502 0.800 0.550 CB 1.217 21 residues pruned to eliminate duplicates Z: 36 26.315 2.015 0.622 0.500 0.943 0.657 CB 1.444 36 residues pruned to eliminate duplicates Z: 10 11.828 2.032 0.357 0.863 1.000 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 12 16.170 2.016 1.033 0.510 0.909 0.545 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 6.317 1.763 0.237 0.422 0.818 0.545 CB 1.158 11 residues pruned to eliminate duplicates Z: 8 4.183 1.479 0.474 0.488 0.857 0.571 CB 0.856 Z: 57 22.786 2.037 0.480 0.386 0.821 0.500 CB 1.387 57 residues pruned to eliminate duplicates Z: 6 8.968 1.948 0.620 0.681 1.000 0.800 CB 1.076 Z: 26 16.228 1.868 0.480 0.493 0.880 0.600 CA 1.343 26 residues pruned to eliminate duplicates Z: 15 16.472 1.943 0.455 0.915 0.857 0.643 CB 1.284 15 residues pruned to eliminate duplicates Z: 7 5.090 1.710 0.263 0.639 1.000 0.500 CB 0.845 7 residues pruned to eliminate duplicates Z: 49 47.482 2.177 0.786 0.696 1.000 0.729 CA 1.474 49 residues pruned to eliminate duplicates Z: 31 15.773 1.919 0.294 0.489 0.900 0.533 CB 1.302 30 residues pruned to eliminate duplicates Z: 16 8.102 1.772 0.398 0.386 0.800 0.467 CB 1.191 15 residues pruned to eliminate duplicates Z: 74 27.803 2.074 0.397 0.368 0.863 0.452 CB 1.499 74 residues pruned to eliminate duplicates Z: 11 17.281 2.024 0.568 0.899 1.000 0.700 CB 1.232 11 residues pruned to eliminate duplicates Z: 10 6.302 1.785 0.238 0.432 0.889 0.556 CB 1.146 10 residues pruned to eliminate duplicates Z: 11 9.043 1.690 0.477 0.554 0.900 0.700 CA 1.208 Z: 11 8.656 1.852 0.505 0.447 0.800 0.600 CA 1.298 7 residues pruned to eliminate duplicates Z: 28 14.786 1.970 0.337 0.483 0.852 0.593 CB 1.291 38 residues pruned to eliminate duplicates Z: 8 6.966 2.000 0.225 0.434 0.857 0.571 CA 1.342 8 residues pruned to eliminate duplicates Z: 42 30.089 2.021 0.603 0.642 0.902 0.707 CA 1.408 42 residues pruned to eliminate duplicates Z: 16 7.278 1.939 0.341 0.327 0.667 0.533 CB 1.311 16 residues pruned to eliminate duplicates Z: 9 20.874 1.931 0.793 0.908 1.000 0.750 CB 1.513 8 residues pruned to eliminate duplicates Z: 9 8.614 1.923 0.650 0.499 0.875 0.500 CB 1.098 9 residues pruned to eliminate duplicates Z: 20 9.967 1.938 0.372 0.313 0.842 0.421 CB 1.256 20 residues pruned to eliminate duplicates Z: 20 21.855 1.984 0.550 0.871 0.947 0.737 CA 1.255 20 residues pruned to eliminate duplicates Z: 9 7.552 1.859 0.118 0.411 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 8 7.864 2.036 -0.100 0.846 1.000 0.571 CB 1.205 8 residues pruned to eliminate duplicates Z: 17 9.085 1.867 0.380 0.389 0.812 0.562 CB 1.220 17 residues pruned to eliminate duplicates Z: 28 15.508 1.883 0.432 0.494 0.852 0.556 CB 1.307 28 residues pruned to eliminate duplicates Z: 11 5.455 1.731 0.554 0.331 0.600 0.400 CA 1.286 11 residues pruned to eliminate duplicates Z: 9 4.663 1.835 0.054 0.447 0.875 0.500 CB 1.029 9 residues pruned to eliminate duplicates Z: 16 8.842 1.592 0.649 0.357 0.867 0.600 CA 1.172 16 residues pruned to eliminate duplicates Z: 7 3.760 1.527 0.346 0.171 0.833 0.333 O 1.335 Z: 12 8.892 1.910 0.546 0.448 0.818 0.545 CA 1.171 12 residues pruned to eliminate duplicates Z: 56 22.972 2.060 0.466 0.399 0.800 0.509 CB 1.426 56 residues pruned to eliminate duplicates Z: 13 5.435 1.746 0.152 0.429 0.833 0.500 CA 1.007 13 residues pruned to eliminate duplicates Z: 25 17.428 1.917 0.598 0.536 0.917 0.625 CB 1.223 25 residues pruned to eliminate duplicates Z: 7 6.774 1.670 0.572 0.672 0.833 0.667 CA 1.079 7 residues pruned to eliminate duplicates Z: 17 25.996 2.012 0.599 0.916 1.000 0.812 CB 1.426 17 residues pruned to eliminate duplicates Z: 11 12.619 2.080 0.647 0.375 0.900 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 11 10.251 1.802 0.626 0.589 0.900 0.500 CA 1.128 9 residues pruned to eliminate duplicates Z: 30 14.743 1.946 0.439 0.344 0.828 0.448 CB 1.401 30 residues pruned to eliminate duplicates Z: 31 26.006 2.011 0.818 0.506 0.933 0.567 CB 1.383 31 residues pruned to eliminate duplicates Z: 26 19.735 1.993 0.663 0.423 0.920 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 15 9.012 1.796 0.274 0.466 0.857 0.643 CA 1.272 15 residues pruned to eliminate duplicates Z: 9 7.594 1.783 0.235 0.388 1.000 0.500 CB 1.372 8 residues pruned to eliminate duplicates Z: 6 3.286 1.530 0.057 0.535 0.800 0.600 CB 1.098 6 residues pruned to eliminate duplicates Z: 21 35.469 2.127 0.915 0.945 1.000 0.700 CB 1.348 22 residues pruned to eliminate duplicates Z: 8 6.247 1.853 0.325 0.364 0.714 0.571 CB 1.558 9 residues pruned to eliminate duplicates Z: 21 14.511 1.830 0.602 0.460 0.950 0.600 CB 1.213 19 residues pruned to eliminate duplicates Z: 9 4.284 1.527 0.434 0.584 0.875 0.500 CB 0.729 9 residues pruned to eliminate duplicates Z: 13 6.979 1.831 0.245 0.517 0.833 0.500 CB 1.043 13 residues pruned to eliminate duplicates Z: 18 20.372 2.129 0.298 0.901 0.941 0.706 CB 1.356 18 residues pruned to eliminate duplicates 7 1.953 1.403 0.328 0.241 0.667 0.333 CB 0.867 ? Z: 6 6.701 1.740 0.279 0.730 1.000 0.600 CB 1.095 6 residues pruned to eliminate duplicates Z: 14 3.607 1.475 0.123 0.218 0.769 0.615 CB 1.093 5 residues pruned to eliminate duplicates Z: 11 17.428 1.990 0.738 0.891 1.000 0.600 CB 1.146 11 residues pruned to eliminate duplicates Z: 13 7.909 1.722 0.775 0.623 0.833 0.583 CB 0.798 Z: 18 28.136 1.959 0.957 0.921 1.000 0.647 CA 1.253 18 residues pruned to eliminate duplicates Z: 21 29.574 2.097 0.635 0.884 1.000 0.800 CB 1.394 21 residues pruned to eliminate duplicates Z: 11 5.815 1.681 0.553 0.409 0.800 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 6 3.269 1.655 -0.050 0.396 0.800 0.400 CB 1.297 Z: 31 16.487 1.811 0.213 0.616 0.933 0.633 CB 1.316 31 residues pruned to eliminate duplicates Z: 7 2.894 1.693 -0.292 0.623 1.000 0.500 CB 0.877 Z: 22 28.371 1.971 0.518 0.904 1.000 0.952 CB 1.474 22 residues pruned to eliminate duplicates Z: 23 14.469 1.817 0.545 0.500 0.909 0.545 CB 1.209 23 residues pruned to eliminate duplicates Z: 9 16.390 1.989 0.707 0.683 1.000 0.750 CB 1.443 9 residues pruned to eliminate duplicates 6 1.724 1.534 0.117 0.514 0.600 0.600 CB 0.740 ? Z: 22 33.034 2.081 0.743 0.928 1.000 0.714 CB 1.391 22 residues pruned to eliminate duplicates Z: 12 10.607 1.910 0.415 0.465 0.818 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 12 5.129 1.821 0.306 0.340 0.818 0.273 CB 0.946 12 residues pruned to eliminate duplicates Z: 11 14.013 1.702 0.490 0.803 1.000 0.600 CA 1.341 11 residues pruned to eliminate duplicates Z: 11 2.510 1.195 0.328 0.160 0.800 0.300 C 0.948 Z: 22 23.685 2.045 0.369 0.911 0.952 0.762 CB 1.374 22 residues pruned to eliminate duplicates Z: 11 10.511 1.846 0.460 0.592 1.000 0.500 CB 1.130 11 residues pruned to eliminate duplicates Z: 23 11.994 1.995 0.143 0.394 0.909 0.682 CB 1.379 23 residues pruned to eliminate duplicates Z: 41 17.224 1.869 0.604 0.289 0.850 0.550 CB 1.355 41 residues pruned to eliminate duplicates Z: 20 44.239 2.086 1.190 0.931 1.000 0.737 CB 1.553 20 residues pruned to eliminate duplicates Z: 9 10.342 1.950 0.583 0.341 1.000 0.625 CB 1.408 9 residues pruned to eliminate duplicates Z: 6 5.796 1.762 0.246 0.609 0.800 0.800 CB 1.331 Z: 14 8.972 1.961 0.617 0.345 0.769 0.462 CB 1.207 14 residues pruned to eliminate duplicates Z: 9 3.045 1.530 -0.031 0.460 0.875 0.625 CB 0.865 Z: 8 5.010 1.777 0.304 0.355 1.000 0.429 CB 0.956 Z: 39 35.018 2.000 0.808 0.740 0.868 0.579 CA 1.459 39 residues pruned to eliminate duplicates Z: 8 5.500 1.712 0.300 0.652 0.857 0.857 CB 0.946 8 residues pruned to eliminate duplicates 7 1.724 1.354 0.166 0.114 0.833 0.167 CB 0.871 ? Z: 30 17.838 1.938 0.422 0.471 0.897 0.552 CB 1.381 30 residues pruned to eliminate duplicates Z: 12 8.349 1.703 0.413 0.411 0.818 0.545 CA 1.404 12 residues pruned to eliminate duplicates Z: 11 15.544 1.926 0.710 0.589 0.900 0.700 CA 1.523 11 residues pruned to eliminate duplicates Z: 6 5.112 1.631 0.041 0.835 1.000 0.800 CA 1.009 6 residues pruned to eliminate duplicates Z: 61 36.422 2.004 0.735 0.516 0.950 0.600 CB 1.402 61 residues pruned to eliminate duplicates Z: 16 8.333 1.796 0.269 0.437 0.867 0.600 CA 1.162 16 residues pruned to eliminate duplicates Z: 20 17.065 2.038 0.522 0.427 0.895 0.474 CA 1.522 20 residues pruned to eliminate duplicates Z: 29 20.315 2.083 0.662 0.451 0.821 0.571 CB 1.419 29 residues pruned to eliminate duplicates Z: 7 3.024 1.469 0.169 0.574 0.833 0.667 N 0.804 7 residues pruned to eliminate duplicates Z: 7 3.236 1.664 0.058 0.406 0.667 0.333 CB 1.242 7 residues pruned to eliminate duplicates Z: 79 42.166 2.102 0.649 0.541 0.936 0.667 CA 1.414 79 residues pruned to eliminate duplicates Z: 10 14.725 1.986 0.650 0.629 0.889 0.778 CA 1.493 10 residues pruned to eliminate duplicates Z: 62 23.385 1.935 0.345 0.454 0.885 0.590 CB 1.362 72 residues pruned to eliminate duplicates Z: 7 10.875 1.886 0.935 0.711 1.000 0.667 CB 1.004 8 residues pruned to eliminate duplicates Z: 21 34.266 2.051 1.019 0.922 0.950 0.300 CB 1.370 21 residues pruned to eliminate duplicates Z: 30 38.220 2.175 0.840 0.747 1.000 0.724 CA 1.421 30 residues pruned to eliminate duplicates Z: 22 16.008 1.959 0.439 0.374 1.000 0.476 CB 1.418 22 residues pruned to eliminate duplicates Z: 35 26.497 1.982 0.892 0.518 0.824 0.588 CB 1.445 35 residues pruned to eliminate duplicates Z: 11 7.357 2.009 0.391 0.260 0.700 0.300 CA 1.565 11 residues pruned to eliminate duplicates Z: 37 16.127 1.904 0.400 0.377 0.861 0.444 CB 1.334 37 residues pruned to eliminate duplicates Z: 33 14.212 1.845 0.517 0.317 0.844 0.562 CB 1.301 33 residues pruned to eliminate duplicates Z: 6 3.582 1.550 0.079 0.667 0.800 0.800 N 1.026 Z: 11 11.170 1.927 0.688 0.580 0.800 0.800 CA 1.257 11 residues pruned to eliminate duplicates Z: 17 19.353 1.960 0.416 0.856 0.938 0.625 CA 1.372 17 residues pruned to eliminate duplicates Z: 22 28.026 1.940 0.592 0.915 1.000 0.857 CB 1.400 22 residues pruned to eliminate duplicates Z: 14 7.787 1.743 0.161 0.416 0.923 0.462 CA 1.262 14 residues pruned to eliminate duplicates Z: 12 18.386 2.023 0.585 0.903 1.000 0.909 CB 1.232 12 residues pruned to eliminate duplicates Z: 12 9.912 1.748 0.309 0.546 1.000 0.909 CB 1.248 12 residues pruned to eliminate duplicates Z: 12 4.504 1.520 0.505 0.267 0.727 0.455 N 1.064 Z: 17 8.574 1.796 0.266 0.299 0.875 0.562 CB 1.348 Z: 8 6.932 1.638 0.723 0.586 1.000 0.571 CB 0.854 Z: 22 13.276 1.813 0.707 0.470 0.857 0.667 CB 1.126 22 residues pruned to eliminate duplicates Z: 6 3.030 1.520 0.124 0.325 0.800 0.400 C 1.202 Z: 29 10.436 1.877 0.308 0.387 0.714 0.500 CB 1.268 29 residues pruned to eliminate duplicates Z: 26 15.987 1.944 0.354 0.440 1.000 0.640 CA 1.291 26 residues pruned to eliminate duplicates Z: 14 13.587 1.972 0.519 0.476 0.923 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 10 4.512 1.609 0.105 0.393 0.889 0.444 CB 1.065 Z: 6 6.725 1.726 0.363 0.663 1.000 1.000 CB 1.099 6 residues pruned to eliminate duplicates Z: 40 25.021 2.027 0.462 0.487 0.923 0.615 CB 1.484 40 residues pruned to eliminate duplicates Z: 11 4.427 1.868 0.260 0.465 0.800 0.500 CB 0.771 11 residues pruned to eliminate duplicates Z: 23 8.692 1.595 0.393 0.508 0.909 0.591 CB 0.910 11 residues pruned to eliminate duplicates Z: 15 13.638 1.899 0.714 0.372 0.857 0.643 CB 1.498 Z: 12 4.119 1.586 0.171 0.340 0.818 0.636 CB 0.973 Z: 7 5.063 1.679 0.378 0.407 0.833 0.333 N 1.182 Z: 8 3.672 1.446 0.672 0.445 0.714 0.429 N 0.850 Z: 20 21.166 1.883 0.642 0.592 1.000 0.789 CB 1.438 35 residues pruned to eliminate duplicates Z: 21 43.558 2.098 1.192 0.942 1.000 0.650 CB 1.469 21 residues pruned to eliminate duplicates Z: 21 20.683 2.071 0.838 0.376 0.900 0.500 CB 1.541 21 residues pruned to eliminate duplicates Z: 7 5.849 2.186 0.162 0.407 0.667 0.167 CB 1.555 7 residues pruned to eliminate duplicates Z: 20 12.434 1.868 0.527 0.429 0.789 0.526 CB 1.363 20 residues pruned to eliminate duplicates Z: 11 13.568 1.724 0.693 0.723 0.800 0.700 CA 1.503 11 residues pruned to eliminate duplicates 6 1.460 1.477 -0.100 0.352 0.800 0.400 CB 0.721 ? Z: 50 36.170 2.035 0.656 0.587 0.939 0.531 CB 1.502 50 residues pruned to eliminate duplicates Z: 11 10.406 1.453 0.558 0.805 1.000 0.500 CB 1.114 11 residues pruned to eliminate duplicates Z: 6 2.424 1.641 0.406 0.287 0.800 0.800 CB 0.747 Z: 25 14.057 1.908 0.385 0.440 0.917 0.708 CB 1.260 42 residues pruned to eliminate duplicates Z: 10 9.335 1.635 0.334 0.837 0.889 0.778 CA 1.200 10 residues pruned to eliminate duplicates Z: 13 13.079 1.864 1.049 0.541 0.833 0.750 CB 1.139 13 residues pruned to eliminate duplicates Z: 10 6.849 1.740 0.074 0.610 0.778 0.667 CA 1.416 10 residues pruned to eliminate duplicates Z: 32 16.957 1.894 0.410 0.435 0.871 0.710 CB 1.401 32 residues pruned to eliminate duplicates Z: 6 4.423 1.451 1.118 0.411 0.800 0.400 CB 0.883 Z: 7 3.273 1.280 0.627 0.664 0.667 0.333 C 0.827 Z: 11 4.923 1.505 0.299 0.478 0.900 0.600 CA 0.904 7 1.826 1.331 0.024 0.248 0.833 0.667 CB 0.877 ? Z: 45 15.722 1.874 0.406 0.316 0.818 0.523 CA 1.347 45 residues pruned to eliminate duplicates Z: 8 12.270 1.787 0.432 0.903 1.000 0.429 CB 1.292 8 residues pruned to eliminate duplicates Z: 12 9.648 1.762 0.476 0.430 0.909 0.545 CB 1.324 12 residues pruned to eliminate duplicates Z: 7 2.106 1.267 0.295 0.380 0.833 0.667 C 0.715 Z: 31 18.130 1.928 0.409 0.431 0.933 0.733 CB 1.402 31 residues pruned to eliminate duplicates Z: 26 15.819 1.939 0.411 0.442 0.920 0.560 CB 1.334 26 residues pruned to eliminate duplicates Z: 23 18.321 1.972 0.492 0.567 0.955 0.591 CA 1.303 23 residues pruned to eliminate duplicates Z: 8 10.884 2.023 0.289 0.837 0.714 0.286 CB 1.652 8 residues pruned to eliminate duplicates Z: 16 15.045 1.983 0.599 0.466 0.933 0.400 CA 1.359 16 residues pruned to eliminate duplicates Z: 10 7.211 1.455 0.460 0.655 1.000 0.667 CB 0.979 Z: 18 10.969 1.841 0.288 0.456 0.824 0.529 CB 1.426 18 residues pruned to eliminate duplicates Z: 8 8.524 1.630 0.567 0.646 0.857 0.714 CB 1.284 8 residues pruned to eliminate duplicates Z: 7 4.253 1.208 0.709 0.483 1.000 0.500 CA 0.856 Z: 10 6.095 1.782 0.377 0.392 0.889 0.556 CA 1.045 10 residues pruned to eliminate duplicates Z: 11 10.430 2.019 0.608 0.561 0.800 0.500 CB 1.197 11 residues pruned to eliminate duplicates Z: 17 9.617 1.737 0.541 0.376 0.812 0.562 CB 1.262 17 residues pruned to eliminate duplicates Z: 11 8.846 1.782 0.620 0.428 0.800 0.600 CB 1.306 9 residues pruned to eliminate duplicates Z: 8 5.577 1.688 0.076 0.672 0.857 0.714 CA 1.156 8 residues pruned to eliminate duplicates Z: 8 4.982 1.544 0.678 0.410 0.857 0.429 CB 0.932 8 residues pruned to eliminate duplicates Z: 12 10.329 1.926 0.801 0.504 0.909 0.545 CB 0.984 12 residues pruned to eliminate duplicates Z: 10 6.912 1.728 0.360 0.473 0.778 0.667 N 1.296 19 residues pruned to eliminate duplicates Z: 16 6.551 1.800 0.453 0.313 0.800 0.400 CB 0.994 16 residues pruned to eliminate duplicates Z: 9 6.826 1.516 0.463 0.675 1.000 0.750 CA 0.926 Z: 11 11.939 1.976 0.543 0.500 0.900 0.200 CA 1.375 11 residues pruned to eliminate duplicates Z: 15 6.708 1.627 0.439 0.365 0.929 0.571 CA 0.954 15 residues pruned to eliminate duplicates Z: 69 24.587 1.941 0.465 0.401 0.882 0.574 CB 1.319 69 residues pruned to eliminate duplicates Z: 17 31.431 2.209 0.676 0.905 1.000 0.812 CA 1.511 17 residues pruned to eliminate duplicates Z: 12 13.444 2.083 0.185 0.836 1.000 0.545 CA 1.229 12 residues pruned to eliminate duplicates Z: 11 10.936 1.739 0.865 0.553 0.800 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 8 11.156 1.914 0.657 0.594 0.857 0.714 CA 1.418 8 residues pruned to eliminate duplicates Z: 14 21.201 1.784 0.781 0.836 1.000 0.538 CA 1.386 14 residues pruned to eliminate duplicates Z: 11 4.507 1.553 0.471 0.248 0.800 0.600 CA 1.042 Z: 17 12.344 1.959 0.369 0.498 0.938 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 18 7.707 1.912 0.293 0.377 0.647 0.412 CB 1.333 18 residues pruned to eliminate duplicates Z: 8 4.334 1.701 0.400 0.211 0.714 0.429 N 1.354 Z: 22 12.326 1.780 0.456 0.376 0.810 0.524 CA 1.463 22 residues pruned to eliminate duplicates Z: 38 20.589 1.955 0.504 0.404 0.946 0.568 CB 1.346 38 residues pruned to eliminate duplicates Z: 19 15.340 1.806 0.640 0.539 0.889 0.611 CB 1.322 19 residues pruned to eliminate duplicates Z: 11 6.763 1.706 0.310 0.519 1.000 0.600 CA 0.940 10 residues pruned to eliminate duplicates Z: 18 21.113 1.917 0.585 0.888 1.000 0.824 CA 1.215 18 residues pruned to eliminate duplicates Z: 55 19.662 1.944 0.500 0.306 0.815 0.519 CB 1.398 55 residues pruned to eliminate duplicates Z: 7 8.366 1.705 0.546 0.606 1.000 0.667 N 1.172 6 residues pruned to eliminate duplicates Z: 11 4.214 1.475 0.475 0.300 0.700 0.500 CB 1.093 Z: 12 8.938 1.658 0.577 0.559 0.909 0.727 CA 1.070 12 residues pruned to eliminate duplicates Z: 19 30.966 1.968 0.898 0.847 0.944 0.444 CA 1.536 19 residues pruned to eliminate duplicates Z: 31 18.132 1.998 0.544 0.458 0.833 0.533 CB 1.344 31 residues pruned to eliminate duplicates Z: 61 29.450 1.901 0.530 0.580 0.933 0.683 CB 1.297 61 residues pruned to eliminate duplicates Z: 6 2.703 1.314 0.646 0.238 0.800 0.200 CB 0.947 Z: 20 13.722 1.841 0.436 0.590 0.947 0.737 CB 1.153 20 residues pruned to eliminate duplicates Z: 9 8.466 1.723 0.727 0.552 0.750 0.500 CB 1.275 9 residues pruned to eliminate duplicates Z: 20 16.635 2.089 0.768 0.299 0.842 0.421 CB 1.535 20 residues pruned to eliminate duplicates Z: 12 3.571 1.501 0.181 0.155 0.818 0.545 CB 1.133 Z: 11 8.192 1.780 0.663 0.585 0.900 0.700 CB 0.896 11 residues pruned to eliminate duplicates Z: 9 9.177 1.888 0.107 0.851 1.000 0.750 CB 1.149 9 residues pruned to eliminate duplicates Z: 29 18.448 1.944 0.394 0.419 0.893 0.643 CA 1.568 29 residues pruned to eliminate duplicates Z: 12 4.574 1.649 0.165 0.523 0.818 0.545 CB 0.857 12 residues pruned to eliminate duplicates Z: 22 16.654 2.010 0.738 0.367 0.810 0.476 CB 1.482 22 residues pruned to eliminate duplicates Z: 37 21.794 1.895 0.477 0.596 0.972 0.722 CB 1.218 37 residues pruned to eliminate duplicates Z: 16 16.186 1.944 0.159 0.901 1.000 0.933 CA 1.324 16 residues pruned to eliminate duplicates Z: 7 2.973 1.569 0.321 0.378 0.833 0.667 CB 0.801 Z: 22 14.743 1.838 0.597 0.423 0.952 0.619 CB 1.246 23 residues pruned to eliminate duplicates Z: 7 5.365 1.560 0.416 0.558 0.833 0.333 CB 1.124 Z: 80 46.020 2.136 0.619 0.593 0.911 0.557 CA 1.503 80 residues pruned to eliminate duplicates Z: 6 4.254 1.573 0.580 0.340 1.000 0.800 CB 0.912 Z: 13 10.452 1.819 0.235 0.617 0.917 0.667 CA 1.312 13 residues pruned to eliminate duplicates Z: 42 40.958 2.139 0.720 0.734 1.000 0.854 CA 1.409 42 residues pruned to eliminate duplicates Z: 17 16.444 2.122 0.568 0.348 0.938 0.500 CA 1.554 17 residues pruned to eliminate duplicates Z: 8 4.995 1.724 0.194 0.457 0.857 0.286 CB 1.119 8 residues pruned to eliminate duplicates Z: 16 9.064 1.813 0.429 0.303 0.867 0.600 CA 1.298 16 residues pruned to eliminate duplicates Z: 13 18.234 2.201 0.518 0.524 0.917 0.583 CA 1.679 13 residues pruned to eliminate duplicates 6 0.880 1.138 -0.123 0.296 0.600 0.400 CB 0.826 ? Z: 9 2.620 1.401 -0.047 0.226 0.875 0.375 CA 1.093 9 residues pruned to eliminate duplicates Z: 12 12.174 1.749 0.747 0.451 0.909 0.545 C 1.389 Z: 24 14.406 1.880 0.443 0.392 0.913 0.783 CB 1.359 24 residues pruned to eliminate duplicates Z: 7 5.860 1.626 0.083 0.870 1.000 0.833 CB 0.992 7 residues pruned to eliminate duplicates Z: 35 26.772 2.162 0.830 0.456 0.882 0.441 CB 1.375 35 residues pruned to eliminate duplicates Z: 14 8.486 1.796 0.483 0.362 0.923 0.538 CB 1.111 14 residues pruned to eliminate duplicates Z: 16 10.316 2.048 0.447 0.352 0.733 0.600 CB 1.439 16 residues pruned to eliminate duplicates Z: 8 6.244 2.022 0.464 0.308 0.857 0.429 CB 1.151 8 residues pruned to eliminate duplicates Z: 9 4.502 1.400 0.279 0.447 0.875 0.500 CA 1.073 Z: 10 11.278 1.859 0.492 0.525 1.000 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 12 7.218 1.977 0.051 0.506 0.909 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 9 11.521 1.947 0.418 0.698 1.000 0.750 CB 1.231 9 residues pruned to eliminate duplicates Z: 14 8.328 1.667 0.386 0.437 1.000 0.538 CA 1.067 14 residues pruned to eliminate duplicates Z: 6 2.185 1.494 0.340 0.267 0.800 0.400 C 0.796 Z: 30 16.882 2.004 0.312 0.477 0.862 0.517 CB 1.415 30 residues pruned to eliminate duplicates Z: 6 3.467 1.392 0.575 0.363 0.800 0.400 CA 1.024 Z: 36 20.153 1.967 0.564 0.432 0.857 0.486 CA 1.385 36 residues pruned to eliminate duplicates Z: 6 4.873 2.092 0.194 0.229 0.800 0.600 CA 1.497 6 residues pruned to eliminate duplicates Z: 33 24.061 1.917 0.666 0.550 0.875 0.688 CA 1.449 33 residues pruned to eliminate duplicates Z: 13 5.166 1.729 0.052 0.500 0.917 0.667 CB 0.894 13 residues pruned to eliminate duplicates Z: 7 2.835 1.630 -0.273 0.537 0.833 0.667 N 1.130 Z: 6 3.231 1.535 0.915 0.100 0.800 0.600 N 1.024 Z: 11 7.286 1.819 0.492 0.466 0.800 0.700 CB 1.099 5 residues pruned to eliminate duplicates Z: 11 11.796 2.044 0.322 0.630 0.900 0.700 CA 1.356 11 residues pruned to eliminate duplicates Z: 7 3.944 1.757 0.218 0.369 0.667 0.167 CA 1.298 7 residues pruned to eliminate duplicates Z: 8 3.630 1.404 0.363 0.578 0.714 0.714 CB 0.931 Z: 37 20.688 1.835 0.317 0.635 0.889 0.611 CB 1.413 45 residues pruned to eliminate duplicates Z: 7 6.791 1.268 0.671 0.804 1.000 1.000 CB 1.003 7 1.802 1.200 0.532 0.304 0.667 0.333 O 0.747 ? Z: 12 3.943 1.482 0.253 0.443 0.818 0.182 CB 0.829 Z: 6 2.246 1.500 0.143 0.227 0.800 0.400 N 1.008 Z: 24 16.149 1.822 0.556 0.513 0.870 0.609 CB 1.348 24 residues pruned to eliminate duplicates Z: 36 20.397 1.960 0.486 0.445 0.943 0.571 CA 1.328 36 residues pruned to eliminate duplicates Z: 22 14.627 1.812 0.688 0.431 0.905 0.524 CB 1.239 23 residues pruned to eliminate duplicates Z: 6 9.095 1.646 0.688 0.814 1.000 1.000 CB 1.114 Z: 10 3.103 1.411 -0.006 0.230 0.889 0.667 CA 1.136 10 residues pruned to eliminate duplicates Z: 25 10.756 1.916 0.235 0.424 0.833 0.667 CB 1.205 25 residues pruned to eliminate duplicates Z: 8 6.646 1.619 0.577 0.372 0.857 0.571 CA 1.316 6 residues pruned to eliminate duplicates Z: 8 5.469 1.722 0.619 0.453 0.714 0.429 CA 1.090 8 residues pruned to eliminate duplicates Z: 14 10.607 1.965 0.525 0.268 0.846 0.462 CA 1.512 14 residues pruned to eliminate duplicates Z: 9 4.582 1.560 0.184 0.765 0.750 0.500 CA 0.924 9 residues pruned to eliminate duplicates Z: 36 33.976 2.011 0.741 0.662 0.971 0.686 CB 1.453 34 residues pruned to eliminate duplicates Z: 6 2.584 1.290 0.840 0.354 0.600 0.600 O 0.951 Z: 59 23.909 2.011 0.519 0.354 0.862 0.500 CB 1.396 59 residues pruned to eliminate duplicates Z: 8 4.540 1.524 0.163 0.549 0.857 0.571 CA 1.076 8 residues pruned to eliminate duplicates Z: 9 3.495 1.597 0.359 0.289 0.625 0.250 CB 1.155 9 residues pruned to eliminate duplicates Z: 23 31.330 1.951 0.947 0.884 0.955 0.727 CB 1.331 23 residues pruned to eliminate duplicates Z: 6 2.416 1.574 0.088 0.384 0.600 0.400 N 1.190 6 residues pruned to eliminate duplicates Z: 10 8.712 1.798 0.550 0.659 0.889 0.778 CB 1.012 10 residues pruned to eliminate duplicates Z: 8 6.087 1.712 0.334 0.604 0.857 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 11 3.073 1.474 0.569 0.194 0.800 0.400 CB 0.757 Z: 6 3.510 1.489 0.551 0.464 0.600 0.600 CA 1.176 Z: 10 3.809 1.397 0.222 0.306 0.889 0.556 CB 1.037 Z: 7 7.519 1.625 0.147 0.869 1.000 0.833 CA 1.203 7 residues pruned to eliminate duplicates Z: 6 2.339 1.422 -0.009 0.369 0.800 0.400 CB 1.068 Z: 7 4.244 1.583 0.135 0.502 0.833 0.500 CB 1.155 Z: 68 47.392 2.133 0.817 0.598 0.940 0.627 CB 1.447 68 residues pruned to eliminate duplicates Z: 10 6.106 1.711 0.390 0.381 0.778 0.333 CA 1.248 10 residues pruned to eliminate duplicates Z: 6 5.006 1.507 0.299 0.786 0.800 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 6 3.030 1.718 0.217 0.518 0.600 0.600 CB 1.061 6 1.753 1.537 0.285 0.100 0.600 0.200 N 1.103 ? 6 1.895 1.393 0.293 0.282 0.600 0.600 CA 1.004 ? Z: 6 2.505 1.188 -0.006 0.640 0.800 0.600 O 1.040 Z: 19 26.398 1.953 0.759 0.853 0.889 0.444 CA 1.506 19 residues pruned to eliminate duplicates 6 1.534 1.529 0.049 0.509 0.600 0.600 CB 0.707 ? Z: 12 6.461 1.861 0.055 0.521 0.909 0.727 CB 1.069 14 residues pruned to eliminate duplicates Z: 14 11.533 1.841 0.799 0.346 0.769 0.615 CB 1.484 14 residues pruned to eliminate duplicates Z: 6 3.563 1.377 0.580 0.296 1.000 0.600 CA 0.921 Z: 29 23.814 2.062 0.491 0.520 0.964 0.607 CB 1.488 29 residues pruned to eliminate duplicates Z: 7 4.340 1.663 0.241 0.458 0.833 0.333 CB 1.075 7 residues pruned to eliminate duplicates Z: 6 2.230 1.457 0.265 0.300 0.800 0.800 C 0.846 Z: 9 3.743 1.647 0.275 0.269 0.750 0.625 CB 1.092 8 residues pruned to eliminate duplicates Z: 14 8.973 1.956 0.514 0.357 0.769 0.462 CB 1.275 14 residues pruned to eliminate duplicates Z: 26 13.949 1.980 0.672 0.371 0.760 0.440 CB 1.273 26 residues pruned to eliminate duplicates Z: 9 7.677 1.824 0.285 0.465 1.000 0.500 CA 1.200 9 residues pruned to eliminate duplicates Z: 7 3.777 1.509 0.128 0.401 0.833 0.667 C 1.206 5 residues pruned to eliminate duplicates Z: 14 10.836 1.749 0.447 0.472 1.000 0.385 CB 1.222 12 residues pruned to eliminate duplicates Z: 6 2.040 1.661 0.153 0.576 0.600 0.400 CB 0.738 6 residues pruned to eliminate duplicates Z: 30 12.153 1.862 0.375 0.346 0.897 0.552 CB 1.162 30 residues pruned to eliminate duplicates Z: 9 3.977 1.413 0.167 0.426 0.875 0.500 CB 1.052 Z: 7 4.005 1.565 0.333 0.523 1.000 0.833 CA 0.766 6 residues pruned to eliminate duplicates Z: 6 3.496 1.386 0.761 0.467 0.800 0.600 CB 0.829 Z: 6 4.409 1.444 0.977 0.590 0.600 0.200 N 1.055 Z: 11 6.310 1.591 0.052 0.583 0.900 0.800 N 1.224 11 residues pruned to eliminate duplicates Z: 12 10.643 1.918 0.449 0.595 1.000 1.000 CA 1.054 12 residues pruned to eliminate duplicates Z: 6 3.280 1.309 0.519 0.304 1.000 0.600 CB 0.917 Z: 16 29.743 2.077 0.872 0.908 0.933 0.667 CA 1.503 16 residues pruned to eliminate duplicates Z: 6 4.400 1.283 0.596 0.383 1.000 0.400 CA 1.089 5 residues pruned to eliminate duplicates 6 1.529 1.463 0.494 0.292 0.600 0.600 CB 0.659 ? Z: 6 3.175 1.622 -0.192 0.570 0.800 0.400 CB 1.265 Z: 7 4.287 1.511 0.308 0.542 0.833 0.667 CB 1.020 Z: 13 10.516 1.964 0.223 0.552 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 6 3.896 1.646 0.210 0.755 1.000 0.800 CB 0.696 6 residues pruned to eliminate duplicates Z: 9 9.120 1.709 0.467 0.541 1.000 0.500 CA 1.236 9 residues pruned to eliminate duplicates Z: 32 16.746 1.979 0.355 0.428 0.903 0.548 CB 1.338 32 residues pruned to eliminate duplicates Z: 10 9.976 1.892 0.804 0.682 0.889 0.667 N 0.927 8 residues pruned to eliminate duplicates Z: 10 9.918 1.747 0.504 0.549 1.000 0.556 CA 1.199 10 residues pruned to eliminate duplicates Z: 22 21.546 1.993 0.665 0.596 0.952 0.714 CB 1.358 23 residues pruned to eliminate duplicates Z: 14 9.560 1.720 0.638 0.288 0.923 0.385 CB 1.295 14 residues pruned to eliminate duplicates Z: 12 6.025 1.804 0.651 0.346 0.727 0.364 CB 0.992 12 residues pruned to eliminate duplicates Z: 8 5.200 1.599 0.792 0.586 0.857 0.571 CB 0.737 Z: 11 5.856 1.635 0.172 0.475 1.000 0.800 CB 0.990 11 residues pruned to eliminate duplicates Z: 14 7.341 1.607 0.254 0.510 0.923 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 14 11.043 1.916 0.741 0.336 0.846 0.462 CA 1.299 13 residues pruned to eliminate duplicates Z: 7 5.651 1.351 0.854 0.570 0.833 0.667 CB 1.034 7 residues pruned to eliminate duplicates Z: 11 16.469 1.847 0.705 0.712 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 18 10.646 1.650 0.273 0.540 0.941 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 11 8.173 1.683 0.491 0.551 0.900 0.700 CA 1.089 11 residues pruned to eliminate duplicates Z: 20 18.056 1.863 0.387 0.682 0.947 0.579 CA 1.431 20 residues pruned to eliminate duplicates Z: 13 11.464 1.824 0.430 0.509 1.000 0.583 CA 1.258 13 residues pruned to eliminate duplicates Z: 23 11.956 1.863 0.647 0.374 0.818 0.455 CA 1.162 23 residues pruned to eliminate duplicates 6 1.202 1.039 0.686 0.295 0.800 0.600 CB 0.482 ? 6 1.442 1.247 0.491 0.392 0.800 0.400 CB 0.486 ? Z: 22 34.389 2.101 0.731 0.900 1.000 0.714 CA 1.474 22 residues pruned to eliminate duplicates Z: 9 6.184 1.776 0.487 0.566 0.750 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 17 9.500 1.838 0.596 0.328 0.875 0.625 CB 1.117 17 residues pruned to eliminate duplicates 6 1.872 1.218 0.124 0.456 0.800 0.400 N 0.800 ? Z: 15 13.786 2.048 0.432 0.525 0.929 0.714 CB 1.319 15 residues pruned to eliminate duplicates Z: 13 14.479 1.931 0.649 0.484 0.917 0.667 CA 1.455 13 residues pruned to eliminate duplicates 7 1.717 1.455 0.103 0.278 0.667 0.500 N 0.843 ? Z: 20 9.890 1.801 0.318 0.400 0.789 0.579 CB 1.344 20 residues pruned to eliminate duplicates Z: 6 3.233 1.351 0.556 0.487 0.800 0.800 N 0.871 6 residues pruned to eliminate duplicates Z: 9 5.022 1.773 -0.077 0.555 1.000 0.500 CB 1.029 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 8.737 1.826 0.752 0.533 1.000 0.571 CB 0.999 8 residues pruned to eliminate duplicates Z: 8 9.816 1.788 0.602 0.556 1.000 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 7 10.710 1.922 0.588 0.586 1.000 0.667 CB 1.319 7 residues pruned to eliminate duplicates Z: 6 8.772 2.003 1.066 0.548 0.800 0.600 CB 1.131 6 residues pruned to eliminate duplicates Z: 8 6.560 1.842 0.894 0.378 0.714 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 13 13.880 2.031 0.345 0.564 1.000 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 6 6.358 1.756 0.481 0.440 1.000 1.000 CB 1.163 6 residues pruned to eliminate duplicates Z: 15 11.219 1.858 0.361 0.481 0.857 0.500 CB 1.410 15 residues pruned to eliminate duplicates Z: 14 10.671 1.959 0.368 0.528 0.846 0.692 CB 1.270 14 residues pruned to eliminate duplicates Z: 15 12.176 1.844 0.620 0.548 0.929 0.786 CB 1.120 15 residues pruned to eliminate duplicates Z: 13 8.311 1.918 0.239 0.394 0.917 0.417 CB 1.232 13 residues pruned to eliminate duplicates Z: 14 7.629 1.888 0.218 0.391 0.846 0.462 CB 1.221 14 residues pruned to eliminate duplicates Z: 15 9.426 1.848 0.404 0.446 0.857 0.643 CB 1.197 15 residues pruned to eliminate duplicates Z: 14 10.898 1.968 0.408 0.474 0.923 0.538 CB 1.214 14 residues pruned to eliminate duplicates Z: 11 9.383 1.754 0.599 0.487 0.900 0.800 CB 1.191 11 residues pruned to eliminate duplicates Z: 6 2.799 1.346 0.513 0.483 0.800 0.600 CA 0.781 6 residues pruned to eliminate duplicates Z: 10 7.326 1.751 0.548 0.541 0.778 0.667 CB 1.112 10 residues pruned to eliminate duplicates Z: 12 9.518 1.702 0.808 0.463 0.727 0.545 CB 1.332 10 residues pruned to eliminate duplicates Z: 7 3.303 1.436 0.255 0.565 1.000 0.833 CA 0.703 7 residues pruned to eliminate duplicates Z: 14 6.550 1.941 0.195 0.316 0.769 0.538 CB 1.248 14 residues pruned to eliminate duplicates Z: 13 15.830 1.879 0.565 0.571 1.000 0.583 CB 1.451 13 residues pruned to eliminate duplicates Z: 12 18.612 1.945 0.585 0.664 1.000 0.455 CB 1.564 12 residues pruned to eliminate duplicates Z: 6 4.604 1.259 0.720 0.433 1.000 0.800 O 1.019 7 residues pruned to eliminate duplicates Z: 6 4.936 1.576 1.022 0.413 0.800 0.600 CA 0.949 7 residues pruned to eliminate duplicates Z: 11 16.489 2.018 0.769 0.504 0.900 0.600 CB 1.616 11 residues pruned to eliminate duplicates Z: 14 17.804 1.957 0.836 0.453 0.923 0.692 CB 1.562 15 residues pruned to eliminate duplicates Z: 6 5.116 1.662 0.369 0.338 1.000 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 13 14.707 1.994 0.947 0.458 0.917 0.667 CB 1.245 14 residues pruned to eliminate duplicates Z: 7 3.213 1.393 0.396 0.271 0.833 0.167 C 1.050 8 residues pruned to eliminate duplicates Z: 8 11.328 1.886 0.431 0.652 1.000 0.571 CB 1.376 10 residues pruned to eliminate duplicates Z: 10 8.789 1.637 0.614 0.682 0.778 0.222 CB 1.207 9 residues pruned to eliminate duplicates Z: 8 5.903 1.792 0.203 0.592 0.857 0.571 CB 1.106 8 residues pruned to eliminate duplicates Z: 24 15.333 1.830 0.527 0.449 0.957 0.522 CB 1.260 25 residues pruned to eliminate duplicates Z: 6 7.604 1.887 0.550 0.674 0.800 0.400 CB 1.238 6 residues pruned to eliminate duplicates Z: 24 13.998 1.801 0.453 0.461 0.957 0.609 CB 1.212 20 residues pruned to eliminate duplicates Z: 8 7.254 1.768 0.379 0.566 1.000 0.286 CB 1.055 8 residues pruned to eliminate duplicates Z: 21 14.875 1.886 0.580 0.436 0.950 0.500 CB 1.255 21 residues pruned to eliminate duplicates Z: 23 12.428 1.831 0.616 0.392 0.864 0.545 CB 1.162 23 residues pruned to eliminate duplicates Z: 22 12.794 1.877 0.408 0.431 0.952 0.571 CB 1.191 22 residues pruned to eliminate duplicates Z: 6 3.542 1.416 0.515 0.322 0.800 0.600 C 1.122 6 residues pruned to eliminate duplicates Z: 22 13.511 1.877 0.457 0.444 0.905 0.381 CB 1.262 22 residues pruned to eliminate duplicates Z: 20 14.161 1.880 0.641 0.431 0.947 0.579 CB 1.194 20 residues pruned to eliminate duplicates Z: 23 16.218 1.805 0.584 0.425 0.955 0.500 CB 1.369 23 residues pruned to eliminate duplicates Z: 6 3.024 1.407 0.682 0.402 0.800 0.600 CA 0.792 6 residues pruned to eliminate duplicates Z: 18 9.858 1.827 0.392 0.370 1.000 0.471 CA 1.080 18 residues pruned to eliminate duplicates Z: 17 9.541 1.848 0.521 0.392 0.812 0.500 CA 1.171 17 residues pruned to eliminate duplicates Z: 18 11.371 1.812 0.467 0.444 0.941 0.529 CA 1.168 17 residues pruned to eliminate duplicates Z: 7 5.507 1.839 0.170 0.545 0.833 0.500 CA 1.200 7 residues pruned to eliminate duplicates Z: 19 10.934 1.826 0.475 0.542 0.889 0.556 CB 1.033 19 residues pruned to eliminate duplicates Z: 22 9.910 1.755 0.320 0.494 0.905 0.476 CB 1.039 19 residues pruned to eliminate duplicates Z: 8 6.842 1.822 0.600 0.558 0.857 0.429 CA 0.978 8 residues pruned to eliminate duplicates Z: 18 13.984 1.886 0.543 0.529 1.000 0.588 CB 1.132 17 residues pruned to eliminate duplicates Z: 18 13.303 1.862 0.499 0.505 1.000 0.647 CB 1.150 18 residues pruned to eliminate duplicates Z: 17 11.732 1.859 0.337 0.463 1.000 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 18 12.968 1.908 0.355 0.516 1.000 0.588 CB 1.198 18 residues pruned to eliminate duplicates Z: 24 12.685 1.807 0.475 0.436 0.870 0.522 CB 1.220 24 residues pruned to eliminate duplicates Z: 18 14.204 1.880 0.637 0.519 0.941 0.529 CB 1.167 18 residues pruned to eliminate duplicates Z: 18 11.918 1.859 0.418 0.490 1.000 0.529 CB 1.108 18 residues pruned to eliminate duplicates Z: 17 14.302 1.889 0.579 0.507 1.000 0.625 CB 1.190 17 residues pruned to eliminate duplicates Z: 17 12.695 1.895 0.679 0.457 0.938 0.562 CB 1.112 17 residues pruned to eliminate duplicates Z: 18 10.757 1.837 0.528 0.512 0.824 0.471 CB 1.115 18 residues pruned to eliminate duplicates Z: 12 9.480 1.930 0.559 0.490 0.818 0.545 CB 1.172 12 residues pruned to eliminate duplicates Z: 18 11.079 1.874 0.442 0.521 0.824 0.471 CB 1.182 18 residues pruned to eliminate duplicates Z: 20 11.586 1.839 0.482 0.485 0.895 0.474 CB 1.106 20 residues pruned to eliminate duplicates Z: 11 4.873 1.795 0.364 0.495 0.700 0.600 CB 0.904 11 residues pruned to eliminate duplicates Z: 6 5.370 2.063 0.164 0.287 0.800 0.200 CB 1.590 Z: 6 2.447 1.515 0.579 0.330 1.000 0.400 CA 0.551 6 residues pruned to eliminate duplicates Z: 19 12.401 1.915 0.559 0.475 0.778 0.556 CA 1.291 19 residues pruned to eliminate duplicates Z: 18 15.126 1.959 0.519 0.488 0.882 0.529 CA 1.413 18 residues pruned to eliminate duplicates Z: 18 8.982 1.703 0.430 0.437 0.941 0.471 CA 1.015 18 residues pruned to eliminate duplicates Z: 15 14.553 1.891 0.589 0.591 0.929 0.643 CB 1.278 24 residues pruned to eliminate duplicates Z: 6 6.349 1.817 0.679 0.297 0.800 0.600 C 1.459 6 residues pruned to eliminate duplicates Z: 38 22.391 1.993 0.450 0.451 0.919 0.459 CA 1.459 38 residues pruned to eliminate duplicates Z: 36 24.674 2.028 0.480 0.483 0.971 0.629 CA 1.456 35 residues pruned to eliminate duplicates Z: 6 2.843 1.779 0.248 0.429 0.600 0.200 CA 1.027 6 residues pruned to eliminate duplicates Z: 35 22.753 2.067 0.480 0.483 0.882 0.588 CA 1.471 35 residues pruned to eliminate duplicates Z: 36 22.765 2.007 0.552 0.456 0.914 0.543 CB 1.413 36 residues pruned to eliminate duplicates Z: 34 22.444 2.023 0.503 0.474 0.939 0.545 CB 1.405 36 residues pruned to eliminate duplicates Z: 7 3.532 1.954 0.336 0.326 0.500 0.500 CA 1.338 7 residues pruned to eliminate duplicates Z: 37 23.980 2.032 0.517 0.452 0.944 0.556 CA 1.442 37 residues pruned to eliminate duplicates Z: 23 19.881 2.057 0.482 0.518 0.955 0.500 CB 1.431 23 residues pruned to eliminate duplicates Z: 6 3.741 1.649 0.143 0.481 0.800 0.600 CA 1.132 6 residues pruned to eliminate duplicates Z: 35 22.692 2.024 0.464 0.481 0.971 0.588 CB 1.380 35 residues pruned to eliminate duplicates Z: 35 24.585 2.054 0.581 0.472 0.912 0.559 CB 1.466 35 residues pruned to eliminate duplicates Z: 35 21.865 2.052 0.529 0.453 0.853 0.500 CB 1.471 35 residues pruned to eliminate duplicates Z: 23 21.096 2.074 0.532 0.538 0.955 0.591 CB 1.429 23 residues pruned to eliminate duplicates Z: 34 25.052 2.082 0.556 0.499 0.939 0.636 CA 1.434 35 residues pruned to eliminate duplicates Z: 6 5.118 1.508 1.351 0.260 0.800 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 34 23.441 2.060 0.522 0.479 0.939 0.636 CB 1.415 33 residues pruned to eliminate duplicates Z: 6 3.033 1.665 0.811 0.261 0.800 0.400 CA 0.739 6 residues pruned to eliminate duplicates Z: 11 18.844 1.944 0.933 0.655 1.000 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 25 22.396 2.051 0.531 0.586 0.917 0.792 CB 1.463 25 residues pruned to eliminate duplicates Z: 36 23.495 2.027 0.455 0.479 0.914 0.543 CB 1.504 36 residues pruned to eliminate duplicates Z: 12 11.967 1.888 0.766 0.599 0.909 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 36 20.534 2.007 0.504 0.473 0.857 0.600 CB 1.378 36 residues pruned to eliminate duplicates Z: 9 20.951 2.128 0.900 0.752 1.000 0.875 CB 1.464 8 residues pruned to eliminate duplicates Z: 11 13.545 1.842 0.514 0.736 0.800 0.600 N 1.554 10 residues pruned to eliminate duplicates Z: 10 12.709 1.913 0.370 0.707 0.889 0.556 CB 1.505 10 residues pruned to eliminate duplicates Z: 10 10.095 1.847 0.521 0.603 0.778 0.444 CB 1.396 10 residues pruned to eliminate duplicates Z: 8 8.206 1.875 0.393 0.487 0.857 0.429 CB 1.404 8 residues pruned to eliminate duplicates Z: 8 9.675 2.008 0.460 0.553 0.857 0.429 CB 1.382 8 residues pruned to eliminate duplicates Z: 19 16.769 2.012 0.872 0.397 0.889 0.389 CB 1.316 19 residues pruned to eliminate duplicates Z: 21 17.105 2.070 0.749 0.382 0.900 0.250 CB 1.331 21 residues pruned to eliminate duplicates Z: 17 21.387 2.110 0.887 0.455 1.000 0.438 CB 1.407 17 residues pruned to eliminate duplicates Z: 33 25.276 2.080 0.660 0.499 0.875 0.469 CB 1.479 32 residues pruned to eliminate duplicates Z: 6 4.230 1.548 0.654 0.324 1.000 0.400 CA 0.897 6 residues pruned to eliminate duplicates Z: 19 19.240 2.109 0.758 0.434 0.944 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 23 14.156 1.897 0.583 0.408 0.818 0.318 CA 1.352 23 residues pruned to eliminate duplicates Z: 21 12.778 2.039 0.678 0.329 0.700 0.400 CB 1.439 21 residues pruned to eliminate duplicates Z: 20 14.126 1.976 0.836 0.341 0.842 0.368 CB 1.261 20 residues pruned to eliminate duplicates Z: 20 14.431 2.012 0.651 0.328 0.895 0.421 CB 1.345 20 residues pruned to eliminate duplicates Z: 32 26.194 2.142 0.682 0.485 0.871 0.516 CB 1.523 32 residues pruned to eliminate duplicates Z: 35 27.316 2.110 0.675 0.485 0.912 0.559 CB 1.475 35 residues pruned to eliminate duplicates Z: 26 22.804 2.137 0.673 0.453 0.920 0.640 CB 1.454 26 residues pruned to eliminate duplicates Z: 36 22.379 2.090 0.563 0.428 0.886 0.429 CB 1.408 36 residues pruned to eliminate duplicates Z: 30 24.674 2.076 0.743 0.452 0.931 0.586 CB 1.428 30 residues pruned to eliminate duplicates Z: 35 25.951 2.086 0.661 0.478 0.882 0.500 CB 1.489 35 residues pruned to eliminate duplicates Z: 35 26.972 2.094 0.676 0.452 0.912 0.471 CA 1.518 35 residues pruned to eliminate duplicates Z: 24 15.786 1.973 0.585 0.406 0.826 0.522 CB 1.406 24 residues pruned to eliminate duplicates Z: 22 14.630 1.991 0.436 0.384 0.857 0.333 CA 1.475 22 residues pruned to eliminate duplicates Z: 20 16.916 2.009 0.316 0.527 0.947 0.632 CB 1.509 20 residues pruned to eliminate duplicates Z: 20 17.928 2.076 0.574 0.447 0.895 0.474 CB 1.485 21 residues pruned to eliminate duplicates Z: 9 13.023 2.021 0.393 0.650 1.000 0.875 CB 1.422 9 residues pruned to eliminate duplicates Z: 32 24.839 2.139 0.569 0.437 0.903 0.452 CB 1.570 32 residues pruned to eliminate duplicates Z: 27 24.703 2.122 0.716 0.437 0.923 0.577 CB 1.539 27 residues pruned to eliminate duplicates Z: 35 24.769 2.082 0.686 0.432 0.882 0.500 CB 1.471 35 residues pruned to eliminate duplicates Z: 18 19.121 2.126 0.438 0.543 0.941 0.529 CB 1.545 18 residues pruned to eliminate duplicates Z: 32 26.536 2.129 0.715 0.455 0.903 0.516 CB 1.513 32 residues pruned to eliminate duplicates Z: 8 9.258 2.017 0.547 0.589 0.714 0.571 CB 1.442 9 residues pruned to eliminate duplicates Z: 7 6.868 1.480 0.805 0.518 1.000 0.667 CA 1.031 7 residues pruned to eliminate duplicates Z: 7 4.390 1.433 0.726 0.419 0.667 0.167 C 1.183 7 residues pruned to eliminate duplicates Z: 18 13.440 1.903 0.549 0.535 0.765 0.471 CB 1.397 18 residues pruned to eliminate duplicates Z: 19 12.659 1.931 0.601 0.483 0.833 0.444 CB 1.178 19 residues pruned to eliminate duplicates Z: 9 10.429 1.850 1.001 0.431 0.750 0.375 N 1.426 9 residues pruned to eliminate duplicates Z: 17 11.617 1.838 0.568 0.384 0.812 0.562 CB 1.404 17 residues pruned to eliminate duplicates Z: 25 12.763 1.841 0.567 0.354 0.792 0.583 CB 1.337 30 residues pruned to eliminate duplicates Z: 6 5.357 1.564 0.671 0.427 1.000 0.200 CA 0.989 6 residues pruned to eliminate duplicates Z: 58 39.595 2.027 0.602 0.634 0.947 0.649 CA 1.504 58 residues pruned to eliminate duplicates Z: 48 29.858 1.998 0.489 0.642 0.894 0.723 CA 1.434 48 residues pruned to eliminate duplicates Z: 80 35.168 2.011 0.505 0.511 0.911 0.620 CB 1.419 80 residues pruned to eliminate duplicates Z: 29 26.165 1.996 0.509 0.703 0.929 0.821 CA 1.469 29 residues pruned to eliminate duplicates Z: 52 32.739 2.027 0.611 0.569 0.902 0.667 CA 1.456 52 residues pruned to eliminate duplicates Z: 74 42.313 2.050 0.563 0.578 0.973 0.671 CA 1.474 74 residues pruned to eliminate duplicates Z: 57 29.042 1.933 0.497 0.518 0.929 0.625 CB 1.418 57 residues pruned to eliminate duplicates Z: 52 31.756 2.000 0.591 0.574 0.922 0.510 CB 1.412 52 residues pruned to eliminate duplicates Z: 72 37.741 2.010 0.559 0.541 0.958 0.606 CB 1.433 72 residues pruned to eliminate duplicates Z: 79 39.039 2.019 0.522 0.563 0.949 0.590 CA 1.426 79 residues pruned to eliminate duplicates Z: 30 28.150 2.022 0.577 0.718 1.000 0.690 CA 1.346 30 residues pruned to eliminate duplicates Z: 61 40.814 2.081 0.661 0.603 0.933 0.600 CA 1.481 61 residues pruned to eliminate duplicates Z: 60 40.254 2.095 0.626 0.597 0.966 0.576 CB 1.452 60 residues pruned to eliminate duplicates Z: 55 39.288 2.024 0.693 0.620 0.963 0.648 CA 1.447 55 residues pruned to eliminate duplicates Z: 56 36.395 2.005 0.599 0.652 0.964 0.655 CB 1.379 56 residues pruned to eliminate duplicates Z: 60 41.394 2.096 0.609 0.570 0.983 0.627 CB 1.520 60 residues pruned to eliminate duplicates Z: 51 35.609 2.039 0.592 0.665 0.960 0.620 CB 1.387 51 residues pruned to eliminate duplicates Z: 47 27.259 1.950 0.570 0.510 0.891 0.543 CA 1.459 47 residues pruned to eliminate duplicates Z: 76 39.257 2.041 0.521 0.568 0.960 0.573 CA 1.424 76 residues pruned to eliminate duplicates Z: 61 38.042 2.037 0.630 0.606 0.933 0.567 CA 1.433 61 residues pruned to eliminate duplicates Z: 75 44.517 2.045 0.693 0.544 0.986 0.554 CB 1.451 75 residues pruned to eliminate duplicates Z: 82 41.843 2.019 0.570 0.560 0.951 0.642 CA 1.457 82 residues pruned to eliminate duplicates Z: 76 40.331 2.032 0.644 0.566 0.933 0.640 CA 1.400 76 residues pruned to eliminate duplicates Z: 43 32.470 2.025 0.635 0.596 0.976 0.619 CB 1.415 43 residues pruned to eliminate duplicates Z: 38 25.203 1.976 0.584 0.602 0.865 0.649 CB 1.389 38 residues pruned to eliminate duplicates Z: 57 41.052 2.018 0.644 0.645 0.964 0.625 CA 1.497 57 residues pruned to eliminate duplicates Z: 81 38.079 2.019 0.619 0.499 0.900 0.488 CA 1.448 81 residues pruned to eliminate duplicates Z: 64 38.346 2.019 0.662 0.642 0.905 0.635 CB 1.393 64 residues pruned to eliminate duplicates Z: 81 43.978 2.043 0.626 0.580 0.950 0.588 CB 1.442 81 residues pruned to eliminate duplicates Z: 24 27.783 1.978 0.799 0.807 0.957 0.696 CA 1.303 24 residues pruned to eliminate duplicates Z: 84 41.043 2.052 0.572 0.542 0.904 0.530 CB 1.484 84 residues pruned to eliminate duplicates Z: 19 16.443 2.006 0.491 0.638 1.000 0.722 CB 1.139 19 residues pruned to eliminate duplicates Z: 47 26.758 1.984 0.634 0.476 0.913 0.587 CA 1.365 47 residues pruned to eliminate duplicates Z: 84 46.243 2.039 0.771 0.553 0.904 0.530 CA 1.477 84 residues pruned to eliminate duplicates Z: 12 19.691 2.083 0.599 0.916 1.000 0.909 CB 1.259 12 residues pruned to eliminate duplicates Z: 67 34.874 1.977 0.621 0.557 0.924 0.530 CB 1.371 67 residues pruned to eliminate duplicates Z: 45 28.231 2.054 0.591 0.484 0.909 0.545 CB 1.456 45 residues pruned to eliminate duplicates Z: 59 42.705 2.071 0.758 0.620 0.931 0.603 CA 1.478 59 residues pruned to eliminate duplicates Z: 59 40.782 2.103 0.678 0.588 0.931 0.534 CB 1.498 59 residues pruned to eliminate duplicates Z: 59 41.059 2.108 0.628 0.604 0.948 0.552 CB 1.500 59 residues pruned to eliminate duplicates Z: 22 19.541 1.940 0.662 0.565 0.952 0.571 CB 1.304 22 residues pruned to eliminate duplicates Z: 90 41.996 2.035 0.560 0.560 0.899 0.551 CA 1.473 90 residues pruned to eliminate duplicates Z: 67 42.537 2.062 0.652 0.586 0.939 0.500 CB 1.507 67 residues pruned to eliminate duplicates Z: 54 43.086 2.043 0.808 0.631 0.981 0.623 CB 1.443 54 residues pruned to eliminate duplicates Z: 83 44.686 2.057 0.621 0.566 0.927 0.585 CA 1.498 83 residues pruned to eliminate duplicates Z: 35 16.598 1.935 0.498 0.341 0.853 0.441 CB 1.369 35 residues pruned to eliminate duplicates Z: 28 15.379 2.025 0.416 0.293 0.852 0.444 CB 1.528 28 residues pruned to eliminate duplicates Z: 72 36.333 2.025 0.581 0.518 0.915 0.493 CA 1.445 72 residues pruned to eliminate duplicates Z: 32 17.938 2.017 0.493 0.393 0.839 0.484 CA 1.428 32 residues pruned to eliminate duplicates Z: 93 34.226 1.954 0.545 0.499 0.848 0.533 CB 1.396 93 residues pruned to eliminate duplicates Z: 28 15.244 2.015 0.433 0.286 0.889 0.444 CB 1.455 28 residues pruned to eliminate duplicates Z: 74 44.312 2.064 0.613 0.576 0.973 0.644 CA 1.488 74 residues pruned to eliminate duplicates Z: 47 26.243 2.003 0.571 0.496 0.913 0.543 CB 1.353 47 residues pruned to eliminate duplicates Z: 68 42.386 2.065 0.619 0.587 0.940 0.567 CB 1.515 68 residues pruned to eliminate duplicates Z: 28 16.398 1.947 0.437 0.401 0.926 0.370 CA 1.352 27 residues pruned to eliminate duplicates Z: 6 3.692 1.396 0.276 0.448 1.000 0.800 C 0.977 6 residues pruned to eliminate duplicates Z: 36 24.559 2.052 0.618 0.395 0.914 0.514 CB 1.529 36 residues pruned to eliminate duplicates Z: 62 38.149 2.047 0.755 0.533 0.869 0.459 CA 1.516 62 residues pruned to eliminate duplicates Z: 57 39.246 2.029 0.751 0.579 0.911 0.518 CA 1.502 57 residues pruned to eliminate duplicates Z: 19 13.567 2.074 0.389 0.374 0.889 0.556 CA 1.428 19 residues pruned to eliminate duplicates Z: 14 13.742 2.161 0.505 0.345 0.846 0.385 CA 1.639 14 residues pruned to eliminate duplicates Z: 20 13.530 1.970 0.718 0.314 0.737 0.421 CB 1.529 20 residues pruned to eliminate duplicates Z: 77 38.626 2.047 0.568 0.544 0.895 0.500 CB 1.477 77 residues pruned to eliminate duplicates Z: 17 15.620 2.103 0.555 0.349 0.938 0.500 CB 1.501 17 residues pruned to eliminate duplicates Z: 31 20.276 2.037 0.570 0.436 0.867 0.500 CA 1.427 31 residues pruned to eliminate duplicates Z: 9 8.466 1.718 0.177 0.813 1.000 0.500 CA 1.128 9 residues pruned to eliminate duplicates Z: 42 28.751 2.081 0.508 0.551 0.927 0.439 CA 1.470 42 residues pruned to eliminate duplicates Z: 26 16.142 2.019 0.421 0.456 0.840 0.600 CA 1.401 26 residues pruned to eliminate duplicates Z: 92 39.460 1.970 0.623 0.510 0.901 0.505 CB 1.423 92 residues pruned to eliminate duplicates Z: 30 17.422 2.032 0.381 0.451 0.793 0.655 CB 1.529 30 residues pruned to eliminate duplicates Z: 6 3.470 1.481 0.429 0.269 1.000 0.600 N 0.953 4 residues pruned to eliminate duplicates Z: 6 2.852 1.396 0.501 0.353 0.800 0.400 CA 0.891 5 residues pruned to eliminate duplicates Z: 7 6.084 1.920 0.434 0.469 0.833 0.500 CB 1.117 3 residues pruned to eliminate duplicates Z: 7 6.722 1.677 0.492 0.430 0.833 0.667 CB 1.415 7 residues pruned to eliminate duplicates Z: 31 14.497 1.947 0.309 0.381 0.867 0.567 CA 1.360 31 residues pruned to eliminate duplicates Z: 24 14.115 2.021 0.265 0.382 0.913 0.609 CB 1.431 24 residues pruned to eliminate duplicates Z: 30 14.238 1.967 0.224 0.391 0.931 0.621 CB 1.324 30 residues pruned to eliminate duplicates Z: 27 13.514 1.990 0.291 0.407 0.885 0.615 CB 1.285 44 residues pruned to eliminate duplicates Z: 31 14.490 1.933 0.217 0.431 0.900 0.667 CB 1.342 31 residues pruned to eliminate duplicates Z: 30 15.666 1.965 0.283 0.421 0.931 0.655 CB 1.345 30 residues pruned to eliminate duplicates Z: 31 13.669 1.911 0.280 0.403 0.867 0.600 CB 1.303 31 residues pruned to eliminate duplicates Z: 25 14.174 2.033 0.232 0.409 0.958 0.625 CB 1.327 25 residues pruned to eliminate duplicates Z: 30 16.657 1.962 0.363 0.413 0.931 0.621 CB 1.361 30 residues pruned to eliminate duplicates Z: 28 14.284 1.992 0.330 0.383 0.889 0.630 CB 1.322 28 residues pruned to eliminate duplicates Z: 24 16.084 2.011 0.386 0.420 0.957 0.609 CA 1.367 24 residues pruned to eliminate duplicates Z: 24 13.997 1.995 0.254 0.420 0.957 0.739 CB 1.325 24 residues pruned to eliminate duplicates Z: 24 17.093 2.046 0.347 0.436 0.957 0.565 CA 1.444 24 residues pruned to eliminate duplicates Z: 29 14.933 1.937 0.308 0.423 0.893 0.536 CB 1.352 29 residues pruned to eliminate duplicates Z: 25 19.873 2.032 0.525 0.486 0.958 0.792 CB 1.386 25 residues pruned to eliminate duplicates Z: 27 16.930 1.963 0.447 0.434 0.885 0.615 CB 1.414 27 residues pruned to eliminate duplicates Z: 31 17.541 1.928 0.374 0.443 0.933 0.633 CB 1.374 31 residues pruned to eliminate duplicates Z: 11 9.725 1.814 0.738 0.302 0.900 0.500 CB 1.351 12 residues pruned to eliminate duplicates Z: 7 7.012 1.483 0.593 0.836 1.000 0.833 CB 0.906 7 residues pruned to eliminate duplicates Z: 24 12.788 1.818 0.620 0.340 0.913 0.304 CB 1.182 20 residues pruned to eliminate duplicates Z: 6 10.562 1.867 0.683 0.643 1.000 0.200 CA 1.316 10 residues pruned to eliminate duplicates Z: 7 7.507 1.844 0.836 0.426 1.000 0.500 CB 0.978 7 residues pruned to eliminate duplicates Z: 12 9.572 1.895 0.500 0.271 1.000 0.273 CB 1.316 12 residues pruned to eliminate duplicates Z: 35 15.963 2.015 0.537 0.286 0.824 0.382 CB 1.365 35 residues pruned to eliminate duplicates Z: 22 13.916 1.939 0.659 0.329 0.857 0.429 CA 1.328 22 residues pruned to eliminate duplicates Z: 69 22.610 1.974 0.440 0.388 0.779 0.456 CB 1.393 69 residues pruned to eliminate duplicates Z: 82 27.869 1.975 0.469 0.397 0.877 0.568 CB 1.357 82 residues pruned to eliminate duplicates Z: 41 14.918 2.026 0.321 0.402 0.700 0.425 CA 1.396 41 residues pruned to eliminate duplicates Z: 24 13.334 2.007 0.587 0.300 0.783 0.304 CB 1.394 24 residues pruned to eliminate duplicates Z: 31 11.773 1.782 0.500 0.350 0.800 0.300 CB 1.182 19 residues pruned to eliminate duplicates Z: 6 3.479 1.587 0.812 0.278 0.800 0.200 CA 0.870 6 residues pruned to eliminate duplicates Z: 10 6.465 1.925 0.589 0.405 0.667 0.333 CA 1.168 10 residues pruned to eliminate duplicates Z: 23 12.492 2.041 0.428 0.290 0.818 0.455 CA 1.414 23 residues pruned to eliminate duplicates Z: 31 14.046 2.003 0.480 0.297 0.767 0.267 CB 1.415 31 residues pruned to eliminate duplicates Z: 28 14.043 1.984 0.335 0.355 0.852 0.556 CA 1.401 28 residues pruned to eliminate duplicates Z: 20 9.180 1.953 0.342 0.223 0.842 0.421 CA 1.319 20 residues pruned to eliminate duplicates Z: 45 16.817 1.942 0.354 0.388 0.818 0.523 CA 1.327 45 residues pruned to eliminate duplicates Z: 67 25.672 1.973 0.521 0.397 0.848 0.561 CB 1.384 67 residues pruned to eliminate duplicates Z: 45 18.052 1.927 0.350 0.419 0.886 0.545 CB 1.284 45 residues pruned to eliminate duplicates Z: 28 15.161 2.044 0.528 0.348 0.815 0.444 CA 1.351 28 residues pruned to eliminate duplicates Z: 39 16.754 1.906 0.331 0.395 0.895 0.526 CA 1.338 39 residues pruned to eliminate duplicates Z: 31 18.092 2.040 0.478 0.440 0.867 0.500 CA 1.344 31 residues pruned to eliminate duplicates Z: 23 16.036 1.968 0.316 0.534 0.909 0.545 CA 1.405 23 residues pruned to eliminate duplicates Z: 91 26.061 1.915 0.400 0.410 0.833 0.556 CB 1.352 91 residues pruned to eliminate duplicates Z: 22 17.938 2.098 0.363 0.531 0.905 0.524 CA 1.467 22 residues pruned to eliminate duplicates Z: 22 17.210 2.068 0.312 0.558 0.905 0.619 CB 1.445 22 residues pruned to eliminate duplicates Z: 24 18.558 2.011 0.500 0.580 0.913 0.652 CA 1.301 24 residues pruned to eliminate duplicates Z: 31 17.686 2.007 0.448 0.449 0.867 0.667 CB 1.351 31 residues pruned to eliminate duplicates Z: 50 16.974 1.828 0.428 0.373 0.857 0.469 CB 1.242 50 residues pruned to eliminate duplicates Z: 24 16.917 1.971 0.371 0.596 0.913 0.652 CA 1.305 24 residues pruned to eliminate duplicates Z: 23 17.377 2.035 0.259 0.564 0.955 0.591 CA 1.425 23 residues pruned to eliminate duplicates Z: 20 16.761 2.090 0.328 0.531 0.895 0.526 CB 1.502 20 residues pruned to eliminate duplicates Z: 14 7.696 1.937 0.287 0.296 0.769 0.385 CB 1.399 14 residues pruned to eliminate duplicates Z: 22 19.922 1.998 0.540 0.578 0.952 0.619 CA 1.376 22 residues pruned to eliminate duplicates Z: 47 22.399 1.986 0.511 0.410 0.870 0.522 CB 1.390 47 residues pruned to eliminate duplicates Z: 43 16.939 1.965 0.468 0.359 0.833 0.524 CB 1.265 43 residues pruned to eliminate duplicates Z: 64 29.148 2.002 0.624 0.424 0.889 0.524 CB 1.376 64 residues pruned to eliminate duplicates Z: 24 11.916 1.913 0.264 0.408 0.870 0.609 CB 1.302 24 residues pruned to eliminate duplicates Z: 25 14.640 2.002 0.475 0.362 0.833 0.583 CB 1.408 25 residues pruned to eliminate duplicates Z: 17 8.229 1.870 0.351 0.332 0.812 0.438 CB 1.205 17 residues pruned to eliminate duplicates Z: 16 11.092 1.882 0.511 0.319 0.933 0.467 CB 1.318 16 residues pruned to eliminate duplicates Z: 22 11.567 1.865 0.630 0.327 0.905 0.571 CB 1.109 22 residues pruned to eliminate duplicates Z: 16 11.281 1.881 0.432 0.326 0.933 0.467 CB 1.404 16 residues pruned to eliminate duplicates Z: 40 19.088 1.934 0.421 0.386 0.923 0.564 CB 1.359 40 residues pruned to eliminate duplicates Z: 14 11.263 1.912 0.679 0.332 0.923 0.462 CB 1.267 14 residues pruned to eliminate duplicates Z: 24 16.159 2.015 0.437 0.471 0.913 0.696 CB 1.312 24 residues pruned to eliminate duplicates Z: 14 12.683 2.003 0.474 0.377 0.923 0.538 CB 1.472 14 residues pruned to eliminate duplicates Z: 22 19.143 2.039 0.647 0.469 0.952 0.667 CB 1.349 22 residues pruned to eliminate duplicates Z: 14 11.404 1.937 0.596 0.503 0.846 0.769 CB 1.206 14 residues pruned to eliminate duplicates Z: 41 21.784 1.955 0.524 0.423 0.950 0.600 CB 1.318 41 residues pruned to eliminate duplicates Z: 25 17.828 1.954 0.658 0.484 0.917 0.667 CB 1.245 25 residues pruned to eliminate duplicates Z: 24 19.455 1.999 0.620 0.448 0.957 0.522 CB 1.381 24 residues pruned to eliminate duplicates Z: 68 24.741 1.965 0.414 0.398 0.881 0.537 CB 1.376 68 residues pruned to eliminate duplicates Z: 17 12.895 2.010 0.652 0.483 0.812 0.688 CB 1.215 17 residues pruned to eliminate duplicates Z: 17 13.277 2.021 0.431 0.446 0.938 0.625 CB 1.294 17 residues pruned to eliminate duplicates Z: 26 15.812 2.020 0.577 0.376 0.840 0.640 CB 1.349 26 residues pruned to eliminate duplicates Z: 25 16.692 1.965 0.626 0.382 0.917 0.500 CB 1.318 25 residues pruned to eliminate duplicates Z: 6 2.335 1.972 0.725 0.492 1.000 0.200 CB 0.309 6 residues pruned to eliminate duplicates Z: 34 12.512 1.876 0.326 0.339 0.848 0.485 CB 1.230 34 residues pruned to eliminate duplicates Z: 40 23.442 1.968 0.572 0.387 0.949 0.513 CB 1.442 40 residues pruned to eliminate duplicates Z: 26 11.123 1.873 0.425 0.345 0.880 0.480 CB 1.122 26 residues pruned to eliminate duplicates Z: 8 8.552 2.071 0.449 0.290 0.857 0.286 CB 1.591 8 residues pruned to eliminate duplicates Z: 23 12.261 1.911 0.245 0.366 0.955 0.545 CB 1.329 23 residues pruned to eliminate duplicates Z: 21 11.832 1.935 0.462 0.347 0.850 0.500 CA 1.299 21 residues pruned to eliminate duplicates Z: 14 10.699 1.920 0.601 0.360 0.846 0.615 CB 1.326 14 residues pruned to eliminate duplicates Z: 57 23.792 1.971 0.560 0.385 0.875 0.500 CB 1.335 57 residues pruned to eliminate duplicates Z: 20 9.984 1.898 0.226 0.444 0.842 0.526 CA 1.238 20 residues pruned to eliminate duplicates Z: 24 9.189 1.854 0.271 0.323 0.826 0.435 CA 1.196 24 residues pruned to eliminate duplicates Z: 22 10.265 1.944 0.278 0.307 0.905 0.333 CB 1.235 22 residues pruned to eliminate duplicates Z: 20 9.770 1.862 0.400 0.355 0.842 0.368 CA 1.193 20 residues pruned to eliminate duplicates Z: 15 13.732 1.919 0.674 0.437 1.000 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 15 8.879 1.817 0.560 0.387 1.000 0.643 CA 0.944 15 residues pruned to eliminate duplicates Z: 41 16.654 1.898 0.463 0.344 0.775 0.475 CB 1.451 41 residues pruned to eliminate duplicates Z: 17 8.719 1.891 0.318 0.303 0.938 0.438 CA 1.162 17 residues pruned to eliminate duplicates Z: 28 17.366 1.993 0.542 0.436 0.889 0.630 CA 1.306 28 residues pruned to eliminate duplicates Z: 17 12.392 1.962 0.551 0.405 0.938 0.375 CA 1.199 17 residues pruned to eliminate duplicates Z: 30 17.868 1.950 0.536 0.409 0.897 0.655 CA 1.359 30 residues pruned to eliminate duplicates Z: 15 8.014 2.035 0.227 0.436 0.714 0.571 CB 1.283 15 residues pruned to eliminate duplicates Z: 16 10.118 2.019 0.414 0.414 0.667 0.400 CB 1.500 16 residues pruned to eliminate duplicates Z: 15 8.026 2.025 0.273 0.386 0.714 0.357 CB 1.314 15 residues pruned to eliminate duplicates Z: 9 6.341 2.031 0.286 0.386 0.625 0.625 CA 1.548 9 residues pruned to eliminate duplicates Z: 13 6.591 2.039 0.231 0.376 0.667 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 13 11.419 2.164 0.388 0.384 0.833 0.667 CB 1.490 13 residues pruned to eliminate duplicates Z: 11 10.070 2.170 0.423 0.426 0.800 0.400 CB 1.392 11 residues pruned to eliminate duplicates Z: 12 8.860 2.046 0.318 0.375 0.818 0.455 CB 1.385 12 residues pruned to eliminate duplicates Z: 11 9.080 2.201 0.455 0.424 0.700 0.600 CB 1.385 11 residues pruned to eliminate duplicates Z: 11 7.136 2.007 0.511 0.404 0.600 0.500 CB 1.373 11 residues pruned to eliminate duplicates Z: 17 9.692 1.945 0.512 0.353 0.812 0.500 CB 1.188 17 residues pruned to eliminate duplicates Z: 13 7.464 2.082 0.417 0.297 0.667 0.500 CB 1.374 13 residues pruned to eliminate duplicates Z: 23 14.337 1.981 0.640 0.340 0.773 0.455 CB 1.449 23 residues pruned to eliminate duplicates Z: 23 14.217 2.058 0.563 0.300 0.864 0.500 CB 1.364 23 residues pruned to eliminate duplicates Z: 24 13.043 2.031 0.371 0.353 0.826 0.435 CB 1.387 24 residues pruned to eliminate duplicates Z: 24 13.772 1.984 0.669 0.339 0.783 0.304 CB 1.321 24 residues pruned to eliminate duplicates Z: 10 10.830 1.912 0.774 0.343 0.889 0.556 CA 1.420 10 residues pruned to eliminate duplicates Z: 13 6.434 1.780 0.617 0.362 0.750 0.417 CB 0.998 13 residues pruned to eliminate duplicates Z: 16 12.313 1.829 0.718 0.465 0.867 0.533 CB 1.211 16 residues pruned to eliminate duplicates Z: 14 7.192 1.830 0.776 0.200 0.615 0.385 CB 1.426 14 residues pruned to eliminate duplicates Z: 11 13.314 1.936 1.219 0.337 0.900 0.500 CA 1.302 11 residues pruned to eliminate duplicates Z: 61 27.839 2.019 0.455 0.475 0.867 0.583 CB 1.448 61 residues pruned to eliminate duplicates Z: 28 26.884 2.062 0.511 0.644 0.963 0.630 CB 1.507 28 residues pruned to eliminate duplicates Z: 14 12.562 1.954 0.523 0.494 0.846 0.538 CB 1.392 14 residues pruned to eliminate duplicates Z: 29 17.453 2.049 0.403 0.407 0.857 0.536 CB 1.475 29 residues pruned to eliminate duplicates Z: 53 27.619 2.035 0.505 0.548 0.827 0.635 CB 1.443 53 residues pruned to eliminate duplicates Z: 14 8.773 1.907 0.210 0.354 1.000 0.538 CB 1.236 14 residues pruned to eliminate duplicates Z: 35 25.788 2.002 0.362 0.651 0.941 0.676 CB 1.498 35 residues pruned to eliminate duplicates Z: 64 30.377 1.994 0.359 0.546 0.905 0.683 CB 1.492 227 residues pruned to eliminate duplicates Z: 51 28.551 2.015 0.421 0.557 0.860 0.560 CB 1.552 Z: 23 20.168 2.071 0.114 0.837 0.955 0.909 CB 1.460 23 residues pruned to eliminate duplicates Z: 47 23.287 2.044 0.428 0.461 0.826 0.522 CB 1.483 42 residues pruned to eliminate duplicates Z: 19 16.327 2.059 0.078 0.923 1.000 0.944 CB 1.219 19 residues pruned to eliminate duplicates Z: 50 24.434 1.923 0.299 0.543 0.857 0.592 CB 1.563 37 residues pruned to eliminate duplicates Z: 21 21.774 2.096 0.173 0.922 1.000 0.850 CB 1.393 21 residues pruned to eliminate duplicates Z: 49 29.420 2.049 0.432 0.541 0.875 0.667 CB 1.589 51 residues pruned to eliminate duplicates Z: 21 21.730 2.099 0.267 0.893 1.000 0.750 CB 1.311 21 residues pruned to eliminate duplicates Z: 31 25.918 2.041 0.325 0.714 0.933 0.800 CB 1.544 31 residues pruned to eliminate duplicates Z: 62 31.409 2.003 0.433 0.515 0.869 0.623 CB 1.589 62 residues pruned to eliminate duplicates Z: 32 33.160 2.066 0.539 0.725 0.968 0.710 CB 1.580 32 residues pruned to eliminate duplicates Z: 58 27.787 2.008 0.488 0.534 0.825 0.509 CB 1.444 58 residues pruned to eliminate duplicates Z: 51 33.438 2.107 0.624 0.551 0.840 0.600 CB 1.565 51 residues pruned to eliminate duplicates Z: 54 37.839 1.972 0.619 0.586 0.962 0.698 CA 1.557 54 residues pruned to eliminate duplicates Z: 22 31.611 2.091 0.668 0.904 1.000 0.714 CB 1.408 22 residues pruned to eliminate duplicates Z: 43 26.730 2.040 0.427 0.564 0.881 0.595 CB 1.512 43 residues pruned to eliminate duplicates Z: 33 22.267 1.943 0.476 0.604 0.875 0.562 CB 1.421 33 residues pruned to eliminate duplicates Z: 40 35.188 2.033 0.625 0.639 0.949 0.538 CB 1.578 40 residues pruned to eliminate duplicates Z: 24 27.553 2.125 0.591 0.747 0.957 0.435 CB 1.424 24 residues pruned to eliminate duplicates Z: 82 34.464 1.980 0.576 0.465 0.901 0.444 CB 1.412 58 residues pruned to eliminate duplicates Z: 20 29.599 2.168 0.648 0.874 1.000 0.263 CB 1.384 20 residues pruned to eliminate duplicates Z: 32 21.777 1.943 0.533 0.646 0.871 0.419 CB 1.316 32 residues pruned to eliminate duplicates Z: 34 33.340 1.995 0.703 0.678 0.909 0.667 CB 1.595 34 residues pruned to eliminate duplicates Z: 46 31.507 1.908 0.650 0.637 0.911 0.556 CB 1.441 46 residues pruned to eliminate duplicates Z: 20 9.078 1.626 0.338 0.379 0.842 0.421 CB 1.292 20 residues pruned to eliminate duplicates Z: 35 29.329 1.955 0.562 0.728 0.882 0.529 CB 1.520 35 residues pruned to eliminate duplicates Z: 41 25.377 1.939 0.628 0.618 0.825 0.650 CB 1.379 41 residues pruned to eliminate duplicates Z: 18 7.796 1.687 0.377 0.364 0.765 0.471 CB 1.232 18 residues pruned to eliminate duplicates Z: 6 2.994 1.527 0.427 0.301 0.600 0.400 CB 1.279 6 residues pruned to eliminate duplicates Z: 11 9.380 1.722 0.512 0.530 0.900 0.700 CA 1.229 11 residues pruned to eliminate duplicates Z: 7 5.424 1.918 0.212 0.383 0.833 0.333 CB 1.295 7 residues pruned to eliminate duplicates Z: 18 8.982 1.906 0.282 0.313 0.824 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 35 20.213 2.069 0.571 0.345 0.882 0.529 CB 1.430 35 residues pruned to eliminate duplicates Z: 35 20.974 2.072 0.596 0.358 0.882 0.412 CB 1.436 35 residues pruned to eliminate duplicates Z: 41 16.772 1.960 0.377 0.378 0.825 0.375 CB 1.356 41 residues pruned to eliminate duplicates Z: 34 14.230 2.035 0.457 0.331 0.727 0.455 CB 1.382 34 residues pruned to eliminate duplicates Z: 37 15.114 2.007 0.428 0.315 0.806 0.389 CB 1.338 37 residues pruned to eliminate duplicates Z: 33 20.909 2.112 0.460 0.383 0.875 0.500 CB 1.552 33 residues pruned to eliminate duplicates Z: 36 17.746 2.074 0.513 0.320 0.829 0.429 CB 1.408 36 residues pruned to eliminate duplicates Z: 10 7.298 2.203 0.477 0.187 0.778 0.333 CB 1.400 10 residues pruned to eliminate duplicates Z: 27 10.940 1.895 0.433 0.358 0.769 0.538 CB 1.197 12 residues pruned to eliminate duplicates Z: 7 6.528 1.973 0.278 0.408 0.833 0.167 CB 1.397 7 residues pruned to eliminate duplicates Z: 17 11.781 2.094 0.369 0.367 0.875 0.500 CB 1.355 17 residues pruned to eliminate duplicates Z: 27 12.220 2.073 0.338 0.287 0.769 0.500 CB 1.428 27 residues pruned to eliminate duplicates Z: 21 13.012 2.078 0.488 0.252 0.900 0.550 CA 1.390 21 residues pruned to eliminate duplicates Z: 26 12.047 2.017 0.434 0.263 0.760 0.400 CB 1.436 26 residues pruned to eliminate duplicates Z: 24 12.600 2.009 0.409 0.290 0.783 0.565 CA 1.501 24 residues pruned to eliminate duplicates Z: 18 12.070 2.134 0.522 0.312 0.824 0.588 CB 1.348 18 residues pruned to eliminate duplicates Z: 37 16.149 2.053 0.379 0.312 0.833 0.500 CB 1.406 20 residues pruned to eliminate duplicates Z: 8 3.092 1.441 0.682 0.321 0.714 0.286 CA 0.822 Z: 43 20.887 1.988 0.499 0.347 0.857 0.500 CB 1.489 43 residues pruned to eliminate duplicates Z: 37 17.914 1.923 0.375 0.411 0.861 0.528 CB 1.439 37 residues pruned to eliminate duplicates Z: 28 16.031 1.958 0.345 0.453 0.852 0.556 CA 1.443 28 residues pruned to eliminate duplicates Z: 10 11.176 1.875 0.476 0.436 1.000 0.778 CB 1.438 10 residues pruned to eliminate duplicates Z: 31 19.203 1.970 0.486 0.420 0.867 0.600 CA 1.503 31 residues pruned to eliminate duplicates Z: 56 26.609 2.076 0.537 0.391 0.855 0.527 CB 1.478 56 residues pruned to eliminate duplicates Z: 12 11.029 1.914 0.273 0.545 0.909 0.727 CA 1.437 12 residues pruned to eliminate duplicates Z: 22 12.127 1.971 0.203 0.468 0.810 0.619 CA 1.425 22 residues pruned to eliminate duplicates Z: 65 26.065 2.055 0.408 0.350 0.875 0.562 CB 1.513 65 residues pruned to eliminate duplicates Z: 49 23.380 2.041 0.455 0.377 0.854 0.521 CB 1.516 49 residues pruned to eliminate duplicates Z: 39 17.125 1.946 0.301 0.417 0.842 0.474 CB 1.421 39 residues pruned to eliminate duplicates Z: 34 17.178 1.897 0.431 0.406 0.818 0.515 CA 1.486 42 residues pruned to eliminate duplicates Z: 48 24.136 2.004 0.496 0.416 0.872 0.511 CB 1.470 48 residues pruned to eliminate duplicates Z: 13 12.690 2.063 0.499 0.511 0.833 0.583 CA 1.407 13 residues pruned to eliminate duplicates Z: 49 17.885 1.860 0.378 0.373 0.833 0.479 CB 1.385 49 residues pruned to eliminate duplicates Z: 26 15.755 1.863 0.401 0.441 0.880 0.600 CA 1.458 26 residues pruned to eliminate duplicates Z: 55 25.813 2.023 0.492 0.399 0.870 0.556 CB 1.487 55 residues pruned to eliminate duplicates Z: 41 20.488 1.987 0.316 0.420 0.875 0.600 CA 1.539 41 residues pruned to eliminate duplicates Z: 48 20.692 1.998 0.391 0.384 0.830 0.468 CB 1.481 48 residues pruned to eliminate duplicates Z: 68 27.109 2.050 0.398 0.361 0.881 0.493 CB 1.525 68 residues pruned to eliminate duplicates Z: 71 24.667 2.010 0.383 0.366 0.871 0.471 CB 1.406 71 residues pruned to eliminate duplicates Z: 40 23.824 1.992 0.488 0.455 0.897 0.667 CA 1.502 40 residues pruned to eliminate duplicates Z: 47 21.148 1.960 0.359 0.424 0.935 0.565 CB 1.356 47 residues pruned to eliminate duplicates Z: 58 23.630 2.036 0.464 0.366 0.842 0.474 CB 1.440 58 residues pruned to eliminate duplicates Z: 63 29.887 2.048 0.565 0.380 0.903 0.597 CB 1.489 63 residues pruned to eliminate duplicates Z: 51 23.989 1.970 0.474 0.405 0.880 0.460 CB 1.467 51 residues pruned to eliminate duplicates Z: 25 18.691 2.032 0.471 0.452 0.958 0.625 CB 1.399 25 residues pruned to eliminate duplicates Z: 11 6.837 1.749 0.639 0.293 0.900 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 30 19.565 1.938 0.590 0.474 0.828 0.655 CA 1.462 30 residues pruned to eliminate duplicates Z: 13 14.963 2.010 0.694 0.438 0.917 0.500 CB 1.475 13 residues pruned to eliminate duplicates Z: 67 41.626 2.102 0.528 0.632 0.955 0.773 CA 1.476 67 residues pruned to eliminate duplicates Z: 16 14.019 1.976 0.592 0.519 0.800 0.533 CB 1.412 16 residues pruned to eliminate duplicates Z: 12 19.882 2.080 0.799 0.603 1.000 0.818 CB 1.453 12 residues pruned to eliminate duplicates Z: 15 14.880 2.096 0.523 0.500 0.857 0.643 CB 1.454 15 residues pruned to eliminate duplicates Z: 11 17.139 2.082 0.711 0.458 1.000 0.600 CB 1.589 11 residues pruned to eliminate duplicates Z: 14 12.317 1.940 0.780 0.497 0.846 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 19 17.224 1.888 0.782 0.494 0.944 0.611 CB 1.285 19 residues pruned to eliminate duplicates Z: 55 34.381 2.106 0.556 0.567 0.889 0.648 CB 1.506 55 residues pruned to eliminate duplicates Z: 10 10.046 2.102 0.495 0.430 0.778 0.667 N 1.473 10 residues pruned to eliminate duplicates Z: 28 16.885 1.881 0.593 0.337 0.889 0.444 CB 1.458 28 residues pruned to eliminate duplicates Z: 13 8.933 1.980 0.437 0.378 0.667 0.417 CA 1.548 13 residues pruned to eliminate duplicates Z: 20 12.121 1.874 0.335 0.428 0.789 0.421 CB 1.517 20 residues pruned to eliminate duplicates Z: 27 14.607 2.012 0.530 0.421 0.808 0.538 CB 1.251 27 residues pruned to eliminate duplicates Z: 28 17.185 1.979 0.560 0.451 0.852 0.556 CB 1.321 28 residues pruned to eliminate duplicates Z: 19 6.550 1.774 0.572 0.212 0.611 0.389 CB 1.273 19 residues pruned to eliminate duplicates Z: 14 9.042 1.962 0.596 0.334 0.692 0.308 CA 1.387 14 residues pruned to eliminate duplicates Z: 41 39.413 2.176 0.743 0.663 0.925 0.800 CA 1.528 41 residues pruned to eliminate duplicates Z: 15 14.547 2.037 0.627 0.442 0.857 0.429 CA 1.453 15 residues pruned to eliminate duplicates Z: 78 45.053 2.162 0.665 0.570 0.896 0.662 CB 1.488 78 residues pruned to eliminate duplicates Z: 50 35.738 2.095 0.680 0.593 0.939 0.735 CA 1.413 50 residues pruned to eliminate duplicates Z: 50 33.278 2.013 0.683 0.595 0.939 0.612 CA 1.365 50 residues pruned to eliminate duplicates Z: 72 48.289 2.159 0.640 0.639 0.958 0.704 CB 1.484 72 residues pruned to eliminate duplicates Z: 38 36.100 2.159 0.609 0.721 1.000 0.892 CA 1.399 38 residues pruned to eliminate duplicates Z: 47 34.263 2.124 0.585 0.692 0.957 0.783 CA 1.316 47 residues pruned to eliminate duplicates Z: 54 41.071 2.144 0.620 0.680 0.981 0.736 CA 1.403 54 residues pruned to eliminate duplicates Z: 42 37.372 2.153 0.768 0.626 0.902 0.732 CB 1.509 42 residues pruned to eliminate duplicates Z: 31 36.124 2.155 0.779 0.721 1.000 0.733 CA 1.409 31 residues pruned to eliminate duplicates Z: 31 37.129 2.146 0.948 0.744 1.000 0.767 CA 1.303 31 residues pruned to eliminate duplicates Z: 76 44.486 2.136 0.623 0.554 0.933 0.600 CA 1.506 76 residues pruned to eliminate duplicates Z: 31 35.545 2.167 0.852 0.715 0.967 0.767 CA 1.377 31 residues pruned to eliminate duplicates Z: 30 42.967 2.190 1.012 0.776 1.000 0.759 CA 1.419 30 residues pruned to eliminate duplicates Z: 35 39.076 2.106 0.763 0.747 1.000 0.706 CB 1.447 35 residues pruned to eliminate duplicates Z: 73 53.851 2.179 0.741 0.637 0.944 0.708 CA 1.558 73 residues pruned to eliminate duplicates Z: 30 40.221 2.189 0.811 0.786 1.000 0.862 CA 1.465 30 residues pruned to eliminate duplicates Z: 84 48.875 2.143 0.639 0.609 0.928 0.675 CB 1.485 84 residues pruned to eliminate duplicates Z: 76 48.144 2.131 0.719 0.580 0.920 0.667 CA 1.527 76 residues pruned to eliminate duplicates Z: 42 35.605 2.122 0.698 0.626 0.927 0.659 CA 1.479 42 residues pruned to eliminate duplicates Z: 82 47.793 2.126 0.751 0.584 0.914 0.704 CB 1.440 82 residues pruned to eliminate duplicates Z: 31 38.754 2.170 0.867 0.744 1.000 0.733 CA 1.403 31 residues pruned to eliminate duplicates Z: 36 38.131 2.197 0.694 0.763 0.971 0.829 CA 1.412 36 residues pruned to eliminate duplicates Z: 72 49.898 2.195 0.688 0.608 0.944 0.592 CB 1.529 72 residues pruned to eliminate duplicates Z: 49 30.742 2.097 0.507 0.574 0.917 0.583 CA 1.426 49 residues pruned to eliminate duplicates Z: 48 35.923 2.128 0.629 0.596 0.936 0.723 CA 1.473 48 residues pruned to eliminate duplicates Z: 44 35.217 2.137 0.648 0.709 0.977 0.767 CA 1.291 44 residues pruned to eliminate duplicates Z: 72 50.239 2.167 0.740 0.617 0.944 0.592 CA 1.500 72 residues pruned to eliminate duplicates Z: 71 44.339 2.122 0.633 0.581 0.957 0.700 CA 1.478 71 residues pruned to eliminate duplicates Z: 72 48.664 2.172 0.681 0.616 0.944 0.718 CA 1.502 72 residues pruned to eliminate duplicates Z: 69 41.749 2.100 0.629 0.574 0.956 0.544 CB 1.442 69 residues pruned to eliminate duplicates Z: 67 45.423 2.157 0.701 0.599 0.924 0.697 CA 1.501 67 residues pruned to eliminate duplicates Z: 46 37.251 2.097 0.674 0.697 0.956 0.711 CA 1.382 46 residues pruned to eliminate duplicates Z: 43 44.667 2.130 0.906 0.706 0.952 0.619 CB 1.478 43 residues pruned to eliminate duplicates Z: 27 19.807 2.008 0.503 0.487 0.885 0.385 CB 1.475 27 residues pruned to eliminate duplicates Z: 38 39.166 2.171 0.812 0.701 0.946 0.730 CA 1.441 38 residues pruned to eliminate duplicates Z: 54 37.606 2.121 0.673 0.650 0.925 0.660 CA 1.369 54 residues pruned to eliminate duplicates Z: 53 39.389 2.182 0.648 0.633 0.942 0.692 CA 1.423 53 residues pruned to eliminate duplicates Z: 73 53.731 2.171 0.758 0.619 0.958 0.653 CB 1.547 73 residues pruned to eliminate duplicates Z: 44 38.432 2.157 0.591 0.702 1.000 0.512 CA 1.421 44 residues pruned to eliminate duplicates Z: 74 49.396 2.168 0.666 0.608 0.959 0.644 CB 1.507 74 residues pruned to eliminate duplicates Z: 71 47.548 2.152 0.765 0.585 0.943 0.571 CB 1.462 71 residues pruned to eliminate duplicates Z: 43 24.358 2.020 0.616 0.457 0.976 0.571 CB 1.232 43 residues pruned to eliminate duplicates Z: 71 55.295 2.201 0.808 0.639 0.957 0.657 CB 1.524 71 residues pruned to eliminate duplicates Z: 82 47.411 2.169 0.707 0.573 0.914 0.556 CB 1.451 82 residues pruned to eliminate duplicates Z: 72 52.246 2.144 0.780 0.622 0.972 0.634 CB 1.491 72 residues pruned to eliminate duplicates Z: 52 45.134 2.140 0.787 0.689 0.961 0.588 CA 1.447 52 residues pruned to eliminate duplicates Z: 57 43.737 2.149 0.691 0.647 0.964 0.571 CB 1.454 57 residues pruned to eliminate duplicates Z: 36 25.921 2.155 0.680 0.478 0.914 0.514 CB 1.354 36 residues pruned to eliminate duplicates Z: 72 46.961 2.095 0.897 0.586 0.930 0.535 CB 1.388 72 residues pruned to eliminate duplicates Z: 64 47.938 2.175 0.763 0.600 0.937 0.540 CA 1.529 64 residues pruned to eliminate duplicates Z: 72 49.216 2.170 0.747 0.595 0.958 0.620 CB 1.469 72 residues pruned to eliminate duplicates Z: 74 48.826 2.140 0.766 0.607 0.918 0.562 CB 1.488 74 residues pruned to eliminate duplicates Z: 21 20.081 2.227 0.894 0.369 0.900 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 83 51.866 2.176 0.785 0.577 0.915 0.646 CB 1.496 83 residues pruned to eliminate duplicates Z: 72 50.667 2.171 0.747 0.627 0.930 0.549 CA 1.514 72 residues pruned to eliminate duplicates Z: 66 46.906 2.168 0.747 0.588 0.938 0.554 CB 1.505 66 residues pruned to eliminate duplicates Z: 32 22.108 2.105 0.778 0.410 0.871 0.484 CB 1.338 32 residues pruned to eliminate duplicates Z: 85 50.987 2.107 0.791 0.568 0.929 0.583 CB 1.486 85 residues pruned to eliminate duplicates Z: 21 21.570 2.111 0.735 0.589 0.900 0.550 CB 1.344 21 residues pruned to eliminate duplicates Z: 30 32.349 2.203 0.968 0.478 0.966 0.448 CB 1.468 30 residues pruned to eliminate duplicates Z: 71 48.229 2.167 0.776 0.600 0.957 0.457 CB 1.422 71 residues pruned to eliminate duplicates Z: 45 28.489 2.134 0.623 0.503 0.909 0.455 CB 1.359 45 residues pruned to eliminate duplicates Z: 82 48.184 2.143 0.783 0.563 0.914 0.580 CB 1.444 82 residues pruned to eliminate duplicates Z: 17 15.403 2.048 0.629 0.502 0.812 0.562 CB 1.418 17 residues pruned to eliminate duplicates Z: 73 48.309 2.151 0.705 0.609 0.958 0.597 CB 1.461 73 residues pruned to eliminate duplicates Z: 30 23.041 2.143 0.928 0.396 0.793 0.448 CB 1.458 30 residues pruned to eliminate duplicates Z: 15 15.190 1.860 0.854 0.530 0.857 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 43 26.773 2.118 0.700 0.489 0.857 0.452 CB 1.354 43 residues pruned to eliminate duplicates Z: 13 20.841 2.094 0.870 0.619 0.917 0.500 CB 1.498 13 residues pruned to eliminate duplicates Z: 17 20.831 1.942 0.911 0.598 0.938 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 42 37.713 2.164 0.854 0.571 0.951 0.537 CB 1.442 42 residues pruned to eliminate duplicates Z: 20 23.344 2.084 0.703 0.585 0.947 0.474 CB 1.468 20 residues pruned to eliminate duplicates Z: 15 6.949 1.679 0.449 0.223 0.929 0.286 CA 1.137 5 residues pruned to eliminate duplicates Z: 6 3.313 1.559 0.731 0.297 0.800 0.400 CA 0.861 6 residues pruned to eliminate duplicates Z: 8 6.245 1.799 0.656 0.480 0.857 0.571 CA 0.943 8 residues pruned to eliminate duplicates Z: 7 6.708 1.924 0.933 0.465 0.667 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 18 17.479 2.027 0.846 0.424 0.882 0.706 CA 1.390 16 residues pruned to eliminate duplicates Z: 33 37.010 2.122 0.731 0.703 0.969 0.906 CA 1.528 33 residues pruned to eliminate duplicates Z: 37 28.543 2.004 0.622 0.647 0.944 0.778 CA 1.351 37 residues pruned to eliminate duplicates Z: 32 31.754 2.068 0.805 0.620 0.968 0.710 CB 1.410 32 residues pruned to eliminate duplicates Z: 34 24.496 2.034 0.531 0.569 0.909 0.697 CA 1.409 34 residues pruned to eliminate duplicates Z: 31 25.173 2.082 0.755 0.563 0.867 0.533 CB 1.365 28 residues pruned to eliminate duplicates Z: 15 13.054 1.943 0.666 0.440 0.929 0.643 CA 1.235 15 residues pruned to eliminate duplicates Z: 41 28.074 1.949 0.649 0.569 0.925 0.725 CA 1.397 41 residues pruned to eliminate duplicates Z: 44 28.142 1.992 0.576 0.598 0.884 0.674 CA 1.410 44 residues pruned to eliminate duplicates Z: 66 42.982 2.048 0.801 0.600 0.923 0.662 CB 1.424 66 residues pruned to eliminate duplicates Z: 36 35.438 2.090 0.811 0.645 0.943 0.714 CB 1.466 43 residues pruned to eliminate duplicates Z: 36 34.983 2.084 0.849 0.636 0.943 0.657 CB 1.433 36 residues pruned to eliminate duplicates Z: 42 33.266 1.995 0.836 0.543 0.927 0.488 CB 1.468 35 residues pruned to eliminate duplicates Z: 39 30.804 2.001 0.742 0.567 0.947 0.579 CB 1.418 39 residues pruned to eliminate duplicates Z: 34 42.593 2.103 0.949 0.714 0.970 0.758 CB 1.537 41 residues pruned to eliminate duplicates Z: 33 38.527 2.119 0.804 0.694 0.969 0.719 CA 1.541 33 residues pruned to eliminate duplicates Z: 37 33.096 2.064 0.804 0.615 0.917 0.722 CB 1.449 37 residues pruned to eliminate duplicates Z: 37 34.882 2.075 0.783 0.647 0.944 0.694 CB 1.451 37 residues pruned to eliminate duplicates Z: 39 31.627 2.020 0.830 0.614 0.895 0.763 CB 1.393 37 residues pruned to eliminate duplicates Z: 37 38.291 2.080 0.913 0.658 0.917 0.833 CB 1.511 37 residues pruned to eliminate duplicates Z: 36 33.816 2.065 0.801 0.656 0.943 0.714 CB 1.410 36 residues pruned to eliminate duplicates Z: 42 33.919 2.058 0.830 0.547 0.902 0.610 CB 1.489 39 residues pruned to eliminate duplicates Z: 36 34.402 2.100 0.815 0.644 0.886 0.600 CB 1.506 36 residues pruned to eliminate duplicates Z: 37 36.062 2.072 0.852 0.633 0.944 0.639 CB 1.464 37 residues pruned to eliminate duplicates Z: 36 35.157 2.104 0.881 0.631 0.914 0.571 CB 1.452 36 residues pruned to eliminate duplicates Z: 47 41.571 2.053 0.927 0.617 0.957 0.674 CB 1.450 47 residues pruned to eliminate duplicates Z: 35 39.832 2.127 0.879 0.674 0.941 0.647 CB 1.546 35 residues pruned to eliminate duplicates Z: 35 37.960 2.101 0.850 0.676 0.941 0.735 CA 1.514 35 residues pruned to eliminate duplicates Z: 37 37.332 2.067 0.800 0.644 0.972 0.667 CB 1.503 37 residues pruned to eliminate duplicates Z: 51 40.191 2.024 0.865 0.577 0.920 0.600 CB 1.520 51 residues pruned to eliminate duplicates Z: 37 34.429 2.073 0.821 0.639 0.889 0.667 CB 1.501 37 residues pruned to eliminate duplicates Z: 35 38.579 2.108 0.858 0.660 0.941 0.588 CA 1.548 35 residues pruned to eliminate duplicates Z: 42 36.641 2.060 0.884 0.581 0.927 0.683 CB 1.472 42 residues pruned to eliminate duplicates Z: 48 33.546 1.923 0.868 0.597 0.936 0.617 CB 1.327 48 residues pruned to eliminate duplicates Z: 21 20.663 1.984 0.725 0.549 0.950 0.550 CB 1.355 21 residues pruned to eliminate duplicates Z: 63 48.468 2.069 0.953 0.639 0.952 0.677 CB 1.406 63 residues pruned to eliminate duplicates Z: 48 41.377 2.048 0.802 0.694 0.957 0.681 CB 1.431 48 residues pruned to eliminate duplicates Z: 66 45.768 2.044 0.877 0.608 0.938 0.523 CB 1.423 66 residues pruned to eliminate duplicates Z: 73 39.589 1.961 0.790 0.555 0.931 0.486 CB 1.354 73 residues pruned to eliminate duplicates Z: 17 22.276 1.973 0.990 0.626 1.000 0.562 CB 1.260 17 residues pruned to eliminate duplicates Z: 77 40.869 1.997 0.649 0.602 0.947 0.605 CB 1.364 74 residues pruned to eliminate duplicates Z: 11 19.118 1.902 0.892 0.815 1.000 0.500 CB 1.278 11 residues pruned to eliminate duplicates Z: 55 41.467 2.041 0.834 0.623 0.963 0.574 CB 1.393 55 residues pruned to eliminate duplicates Z: 35 24.054 1.931 0.729 0.508 0.941 0.559 CB 1.303 35 residues pruned to eliminate duplicates Z: 50 49.877 2.084 0.987 0.694 0.980 0.633 CB 1.471 50 residues pruned to eliminate duplicates Z: 65 48.666 2.057 0.920 0.629 0.969 0.625 CB 1.409 65 residues pruned to eliminate duplicates Z: 63 48.343 2.063 0.916 0.627 0.935 0.629 CB 1.474 63 residues pruned to eliminate duplicates Z: 30 27.913 2.037 0.893 0.491 0.966 0.517 CA 1.405 30 residues pruned to eliminate duplicates Z: 64 46.671 2.087 0.873 0.608 0.937 0.683 CB 1.450 64 residues pruned to eliminate duplicates Z: 30 30.672 2.024 0.927 0.546 0.966 0.621 CB 1.446 30 residues pruned to eliminate duplicates Z: 68 41.811 2.019 0.770 0.583 0.955 0.597 CB 1.382 68 residues pruned to eliminate duplicates Z: 27 18.226 1.969 0.854 0.347 0.885 0.423 CB 1.307 27 residues pruned to eliminate duplicates Z: 42 20.422 1.842 0.705 0.417 0.878 0.366 CB 1.260 42 residues pruned to eliminate duplicates Z: 31 25.366 2.004 0.854 0.522 0.900 0.567 CA 1.355 31 residues pruned to eliminate duplicates Z: 17 10.035 1.951 0.708 0.317 0.750 0.500 CA 1.228 17 residues pruned to eliminate duplicates Z: 66 45.318 2.030 0.837 0.607 0.938 0.754 CB 1.451 66 residues pruned to eliminate duplicates Z: 16 14.318 2.071 0.717 0.374 0.867 0.667 CB 1.373 16 residues pruned to eliminate duplicates Z: 21 17.925 2.091 0.903 0.307 0.850 0.550 CB 1.469 21 residues pruned to eliminate duplicates Z: 62 38.783 2.006 0.805 0.536 0.967 0.590 CB 1.368 70 residues pruned to eliminate duplicates Z: 7 4.194 1.630 0.493 0.171 0.833 0.500 CA 1.258 7 residues pruned to eliminate duplicates Z: 38 19.476 1.996 0.691 0.351 0.865 0.459 CB 1.289 52 residues pruned to eliminate duplicates Z: 14 11.093 1.955 0.704 0.273 0.846 0.385 CA 1.412 Z: 6 4.650 1.791 0.458 0.325 1.000 0.600 CA 0.966 6 residues pruned to eliminate duplicates Z: 9 7.933 1.934 0.615 0.272 0.875 0.250 CA 1.330 9 residues pruned to eliminate duplicates Z: 10 5.899 1.866 0.420 0.207 0.778 0.333 CB 1.349 10 residues pruned to eliminate duplicates 663 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 7 D: 6 E: 7 F: 7 G: 7 H: 7 I: 8 J: 7 K: 14 L: 26 M: 18 N: 19 O: 18 P: 35 Q: 36 R: 98 S: 91 T: 156 U: 7 V: 63 W: 14 CC for partial structure against native data = 25.50 % ------------------------------------------------------------------------------ Global autotracing cycle 9 = 0.300, Contrast = 0.394, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.564, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6471 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1288 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 45 19.900 1.926 0.453 0.393 0.909 0.545 CB 1.321 B: 14 15.696 2.086 0.484 0.552 0.923 0.692 CB 1.449 C: 21 23.235 2.130 0.292 0.881 1.000 0.700 CB 1.366 D: 54 30.005 2.053 0.455 0.460 0.925 0.604 CB 1.555 14 residues pruned to eliminate duplicates E: 9 12.631 1.886 0.409 0.791 0.875 0.375 CB 1.488 F: 22 31.052 2.088 0.615 0.902 1.000 0.762 CB 1.434 21 residues pruned to eliminate duplicates G: 20 30.845 2.100 0.678 0.916 1.000 1.000 CB 1.417 H: 34 25.002 2.111 0.475 0.487 0.939 0.606 CB 1.508 45 residues pruned to eliminate duplicates I: 19 13.201 2.012 0.415 0.427 0.778 0.722 CB 1.517 19 residues pruned to eliminate duplicates J: 8 13.762 1.990 0.580 0.859 1.000 0.714 CB 1.218 9 residues pruned to eliminate duplicates K: 18 26.537 2.101 0.566 0.904 0.941 0.706 CA 1.480 L: 30 25.579 2.168 0.652 0.507 0.931 0.655 CB 1.415 M: 19 16.732 2.080 0.782 0.394 0.889 0.556 CB 1.339 8 residues pruned to eliminate duplicates N: 11 15.525 1.813 0.463 0.847 1.000 0.700 CA 1.374 11 residues pruned to eliminate duplicates O: 21 20.895 2.124 0.706 0.546 0.900 0.550 CB 1.369 21 residues pruned to eliminate duplicates P: 49 31.812 2.101 0.625 0.551 0.896 0.562 CB 1.428 30 residues pruned to eliminate duplicates Q: 21 42.139 2.211 0.923 0.938 0.950 0.800 CB 1.622 22 residues pruned to eliminate duplicates R: 18 31.117 2.129 0.775 0.930 1.000 0.824 CB 1.396 18 residues pruned to eliminate duplicates S: 50 16.090 1.925 0.369 0.322 0.796 0.449 CB 1.333 T: 11 20.876 2.051 0.987 0.815 0.800 0.700 CA 1.540 U: 17 21.582 2.088 0.657 0.872 0.812 0.375 CA 1.399 17 residues pruned to eliminate duplicates V: 22 42.778 2.136 1.019 0.883 1.000 0.810 CA 1.565 22 residues pruned to eliminate duplicates W: 14 14.579 1.875 0.821 0.384 0.923 0.615 CB 1.451 X: 10 13.767 1.854 0.345 0.850 1.000 0.778 CA 1.363 10 residues pruned to eliminate duplicates Y: 9 6.214 1.523 0.500 0.566 0.875 0.625 CB 1.031 Z: 20 39.752 2.145 0.861 0.954 1.000 0.947 CB 1.571 20 residues pruned to eliminate duplicates Z: 6 5.388 1.690 0.262 0.423 1.000 0.600 N 1.224 Z: 11 8.849 1.749 0.586 0.483 0.900 0.500 CA 1.141 Z: 27 26.370 2.035 0.570 0.704 0.962 0.923 CB 1.398 16 residues pruned to eliminate duplicates Z: 13 13.200 1.835 0.529 0.508 0.917 0.500 CB 1.469 13 residues pruned to eliminate duplicates Z: 11 12.629 1.785 0.537 0.659 0.900 0.400 CB 1.395 8 residues pruned to eliminate duplicates Z: 21 37.792 2.203 0.724 0.916 1.000 0.750 CA 1.572 21 residues pruned to eliminate duplicates Z: 9 5.126 2.010 0.887 0.356 0.625 0.375 CB 0.892 9 residues pruned to eliminate duplicates Z: 15 11.533 1.992 0.385 0.466 0.929 0.643 CB 1.246 Z: 22 35.707 2.118 0.783 0.890 1.000 0.905 CA 1.484 22 residues pruned to eliminate duplicates Z: 15 12.403 2.054 0.425 0.370 0.857 0.571 CB 1.520 15 residues pruned to eliminate duplicates Z: 22 40.114 2.186 0.855 0.920 1.000 0.571 CB 1.520 22 residues pruned to eliminate duplicates Z: 9 21.031 2.032 0.608 0.903 1.000 0.750 CB 1.622 9 residues pruned to eliminate duplicates Z: 18 27.599 2.093 0.552 0.924 1.000 0.706 CA 1.448 18 residues pruned to eliminate duplicates Z: 20 39.402 2.119 0.871 0.936 1.000 0.737 CB 1.587 20 residues pruned to eliminate duplicates Z: 13 15.564 1.693 0.674 0.850 0.917 0.667 CB 1.281 Z: 21 33.157 2.046 0.851 0.927 1.000 0.850 CB 1.372 21 residues pruned to eliminate duplicates Z: 22 26.584 2.003 0.598 0.907 0.952 0.857 CB 1.353 22 residues pruned to eliminate duplicates Z: 34 23.061 2.098 0.493 0.454 0.939 0.576 CB 1.430 34 residues pruned to eliminate duplicates Z: 12 16.051 2.019 0.325 0.875 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 33 19.197 2.133 0.515 0.332 0.844 0.500 CB 1.497 23 residues pruned to eliminate duplicates Z: 20 28.277 2.043 0.561 0.888 1.000 0.737 CB 1.466 20 residues pruned to eliminate duplicates Z: 35 23.756 2.035 0.555 0.467 0.941 0.647 CB 1.414 35 residues pruned to eliminate duplicates Z: 26 16.187 2.130 0.376 0.332 0.880 0.480 CB 1.509 26 residues pruned to eliminate duplicates Z: 22 37.505 2.143 0.825 0.935 1.000 0.810 CB 1.458 22 residues pruned to eliminate duplicates Z: 11 13.558 1.714 0.799 0.705 0.900 0.600 CA 1.283 11 residues pruned to eliminate duplicates Z: 17 15.715 2.053 0.373 0.470 1.000 0.562 CA 1.437 Z: 55 25.111 2.108 0.534 0.370 0.833 0.500 CB 1.458 54 residues pruned to eliminate duplicates Z: 9 9.950 1.994 0.233 0.554 1.000 0.625 CB 1.358 Z: 30 15.305 2.029 0.470 0.438 0.724 0.448 CB 1.403 30 residues pruned to eliminate duplicates Z: 21 42.506 2.184 0.908 0.918 1.000 0.800 CA 1.609 21 residues pruned to eliminate duplicates Z: 14 17.280 2.005 0.566 0.582 1.000 0.769 CB 1.411 13 residues pruned to eliminate duplicates Z: 35 27.499 2.070 0.584 0.495 1.000 0.618 CB 1.446 34 residues pruned to eliminate duplicates Z: 25 15.594 1.863 0.528 0.464 0.875 0.542 CB 1.325 19 residues pruned to eliminate duplicates Z: 8 4.531 1.686 0.492 0.772 0.714 0.571 CB 0.749 8 residues pruned to eliminate duplicates Z: 15 9.174 2.062 0.340 0.390 0.714 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 82 44.902 2.044 0.602 0.571 0.951 0.580 CA 1.496 46 residues pruned to eliminate duplicates Z: 22 42.797 2.152 0.930 0.930 1.000 0.952 CB 1.573 22 residues pruned to eliminate duplicates Z: 37 24.729 2.142 0.529 0.457 0.889 0.528 CB 1.479 22 residues pruned to eliminate duplicates Z: 32 23.543 2.159 0.682 0.405 0.839 0.452 CB 1.533 32 residues pruned to eliminate duplicates Z: 6 4.955 1.826 0.472 0.435 0.600 0.600 N 1.470 Z: 35 23.953 2.060 0.527 0.470 0.941 0.706 CB 1.430 35 residues pruned to eliminate duplicates Z: 11 8.466 1.852 0.566 0.545 0.800 0.600 CB 1.105 Z: 8 11.014 1.995 0.322 0.583 1.000 0.571 CA 1.458 8 residues pruned to eliminate duplicates Z: 8 6.417 1.733 0.627 0.341 0.714 0.429 CB 1.431 6 residues pruned to eliminate duplicates Z: 40 24.061 2.051 0.565 0.460 0.897 0.487 CA 1.393 37 residues pruned to eliminate duplicates Z: 101 47.179 2.023 0.663 0.515 0.920 0.540 CA 1.502 101 residues pruned to eliminate duplicates Z: 22 15.443 1.949 0.354 0.490 0.905 0.571 CA 1.425 22 residues pruned to eliminate duplicates Z: 20 18.438 2.121 0.894 0.409 0.842 0.368 CB 1.375 20 residues pruned to eliminate duplicates Z: 21 14.203 2.102 0.655 0.309 0.800 0.500 CB 1.411 21 residues pruned to eliminate duplicates Z: 10 10.774 1.831 0.998 0.709 1.000 0.667 CB 0.812 Z: 18 9.905 1.845 0.455 0.346 0.824 0.529 CB 1.284 18 residues pruned to eliminate duplicates Z: 34 23.033 2.077 0.495 0.463 0.909 0.606 CB 1.476 34 residues pruned to eliminate duplicates Z: 35 26.181 2.076 0.515 0.487 0.971 0.559 CB 1.491 35 residues pruned to eliminate duplicates Z: 18 9.847 1.854 0.351 0.530 0.882 0.588 CB 1.049 11 residues pruned to eliminate duplicates Z: 35 19.324 2.038 0.565 0.457 0.794 0.706 CB 1.368 35 residues pruned to eliminate duplicates Z: 11 11.855 1.989 0.307 0.760 0.900 0.700 CA 1.272 11 residues pruned to eliminate duplicates Z: 7 4.056 1.770 0.544 0.247 0.667 0.333 CB 1.216 Z: 40 26.159 2.077 0.606 0.464 0.897 0.590 CB 1.451 40 residues pruned to eliminate duplicates Z: 23 24.340 2.067 0.312 0.913 1.000 0.818 CB 1.355 22 residues pruned to eliminate duplicates Z: 40 23.416 2.074 0.495 0.419 0.872 0.564 CA 1.510 40 residues pruned to eliminate duplicates Z: 28 22.083 2.142 0.422 0.478 0.926 0.704 CB 1.540 27 residues pruned to eliminate duplicates Z: 18 7.882 1.735 0.205 0.341 0.882 0.588 CB 1.232 18 residues pruned to eliminate duplicates Z: 9 10.713 1.772 0.316 0.857 0.875 0.750 CA 1.368 10 residues pruned to eliminate duplicates Z: 34 25.825 2.123 0.537 0.470 0.970 0.636 CB 1.465 34 residues pruned to eliminate duplicates Z: 22 27.962 2.002 0.527 0.925 1.000 0.905 CB 1.401 22 residues pruned to eliminate duplicates Z: 21 33.346 2.087 0.633 0.926 1.000 0.950 CB 1.535 21 residues pruned to eliminate duplicates Z: 20 19.986 2.108 0.470 0.589 0.947 0.579 CB 1.434 20 residues pruned to eliminate duplicates Z: 22 44.170 2.179 0.988 0.898 1.000 0.714 CB 1.593 22 residues pruned to eliminate duplicates Z: 14 8.963 1.932 0.420 0.472 0.846 0.538 CB 1.101 14 residues pruned to eliminate duplicates Z: 21 38.975 2.187 0.752 0.919 1.000 0.900 CA 1.602 21 residues pruned to eliminate duplicates Z: 20 19.072 2.212 0.698 0.361 0.895 0.421 CB 1.511 20 residues pruned to eliminate duplicates Z: 52 41.992 2.017 0.757 0.672 0.961 0.686 CB 1.474 44 residues pruned to eliminate duplicates Z: 33 20.686 1.991 0.694 0.561 0.812 0.406 CB 1.258 33 residues pruned to eliminate duplicates Z: 10 15.195 1.917 0.557 0.822 0.889 0.333 CB 1.445 10 residues pruned to eliminate duplicates Z: 20 26.244 2.050 0.753 0.892 0.895 0.421 CB 1.345 20 residues pruned to eliminate duplicates Z: 15 13.894 1.842 0.346 0.837 0.929 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 18 16.228 2.001 0.603 0.490 1.000 0.647 CB 1.239 18 residues pruned to eliminate duplicates Z: 21 44.762 2.187 1.005 0.922 1.000 0.850 CA 1.605 21 residues pruned to eliminate duplicates Z: 16 7.637 1.754 0.554 0.248 0.733 0.400 CA 1.319 Z: 16 8.155 1.805 0.462 0.440 0.800 0.667 CB 1.060 8 residues pruned to eliminate duplicates Z: 54 37.132 2.053 0.552 0.632 1.000 0.679 CA 1.414 54 residues pruned to eliminate duplicates Z: 83 47.184 2.054 0.707 0.566 0.902 0.610 CA 1.545 86 residues pruned to eliminate duplicates Z: 18 27.532 2.086 0.670 0.887 1.000 0.588 CA 1.382 18 residues pruned to eliminate duplicates Z: 20 21.632 2.104 0.334 0.878 0.947 0.789 CB 1.355 20 residues pruned to eliminate duplicates Z: 12 14.559 2.094 0.489 0.765 0.909 0.636 CB 1.224 12 residues pruned to eliminate duplicates Z: 73 41.655 2.088 0.592 0.540 0.931 0.542 CA 1.526 73 residues pruned to eliminate duplicates Z: 8 6.209 1.789 0.188 0.672 0.857 0.429 CB 1.100 Z: 48 30.279 2.035 0.541 0.558 0.957 0.723 CB 1.390 37 residues pruned to eliminate duplicates Z: 14 18.255 1.972 0.454 0.778 1.000 0.538 CB 1.382 14 residues pruned to eliminate duplicates Z: 74 50.768 2.162 0.803 0.607 0.932 0.575 CB 1.478 48 residues pruned to eliminate duplicates Z: 13 13.411 2.111 0.459 0.462 0.833 0.667 CA 1.568 13 residues pruned to eliminate duplicates Z: 11 10.152 1.992 0.607 0.366 0.800 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 15 7.089 2.094 0.184 0.354 0.714 0.500 CB 1.253 15 residues pruned to eliminate duplicates Z: 11 9.491 1.812 0.797 0.334 0.800 0.500 N 1.382 11 residues pruned to eliminate duplicates Z: 32 18.929 2.081 0.447 0.376 0.871 0.484 CA 1.479 32 residues pruned to eliminate duplicates Z: 15 16.850 2.224 0.107 0.894 0.929 0.643 CB 1.413 15 residues pruned to eliminate duplicates Z: 22 29.645 2.003 0.661 0.890 0.952 0.667 CA 1.469 22 residues pruned to eliminate duplicates Z: 11 18.126 1.921 0.632 0.902 1.000 0.900 CB 1.304 11 residues pruned to eliminate duplicates Z: 62 39.646 2.081 0.594 0.571 0.934 0.574 CA 1.529 62 residues pruned to eliminate duplicates Z: 17 7.618 1.908 0.003 0.454 0.875 0.500 CB 1.192 17 residues pruned to eliminate duplicates Z: 10 6.134 1.535 0.635 0.399 0.778 0.444 CA 1.164 Z: 41 25.288 2.017 0.386 0.474 0.975 0.700 CB 1.506 45 residues pruned to eliminate duplicates Z: 7 3.585 1.618 0.368 0.522 0.667 0.667 N 0.971 7 residues pruned to eliminate duplicates Z: 23 28.177 2.040 0.668 0.894 0.955 0.818 CB 1.327 23 residues pruned to eliminate duplicates Z: 22 32.157 2.119 0.714 0.930 1.000 0.714 CB 1.351 23 residues pruned to eliminate duplicates Z: 22 40.431 2.128 0.924 0.906 1.000 0.810 CB 1.532 22 residues pruned to eliminate duplicates Z: 21 39.108 2.100 1.079 0.938 1.000 0.450 CB 1.393 21 residues pruned to eliminate duplicates Z: 41 20.561 2.058 0.490 0.352 0.825 0.500 CB 1.509 41 residues pruned to eliminate duplicates Z: 34 23.591 2.070 0.608 0.467 0.909 0.636 CB 1.403 34 residues pruned to eliminate duplicates Z: 18 11.280 1.879 0.268 0.439 0.882 0.588 CB 1.386 18 residues pruned to eliminate duplicates Z: 33 19.533 2.065 0.487 0.413 0.875 0.594 CA 1.408 33 residues pruned to eliminate duplicates Z: 8 17.425 2.057 0.496 0.899 1.000 0.857 CB 1.530 8 residues pruned to eliminate duplicates Z: 50 38.943 2.029 0.730 0.643 0.939 0.592 CA 1.477 50 residues pruned to eliminate duplicates Z: 9 5.421 1.748 0.353 0.411 0.875 0.625 CB 1.016 Z: 19 30.981 2.186 0.814 0.874 0.889 0.722 CB 1.508 19 residues pruned to eliminate duplicates Z: 51 24.396 1.981 0.422 0.443 0.880 0.660 CB 1.476 51 residues pruned to eliminate duplicates Z: 13 9.070 1.918 0.312 0.436 0.917 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 23 17.120 1.966 0.567 0.449 0.955 0.591 CB 1.308 9 residues pruned to eliminate duplicates Z: 9 10.403 1.703 0.372 0.846 1.000 0.750 CA 1.170 8 residues pruned to eliminate duplicates Z: 23 25.693 2.083 0.394 0.915 0.955 0.818 CB 1.397 22 residues pruned to eliminate duplicates Z: 9 7.026 1.906 0.289 0.411 0.750 0.625 N 1.480 9 residues pruned to eliminate duplicates Z: 36 25.515 1.953 0.390 0.651 0.914 0.771 CB 1.509 32 residues pruned to eliminate duplicates Z: 18 13.403 2.038 0.388 0.310 1.000 0.529 CA 1.419 20 residues pruned to eliminate duplicates Z: 34 18.173 2.142 0.494 0.339 0.788 0.485 CB 1.495 34 residues pruned to eliminate duplicates Z: 68 38.509 2.102 0.695 0.495 0.896 0.537 CB 1.482 82 residues pruned to eliminate duplicates Z: 39 16.384 2.017 0.484 0.425 0.737 0.421 CB 1.304 39 residues pruned to eliminate duplicates Z: 33 18.083 1.997 0.279 0.456 0.938 0.594 CB 1.397 33 residues pruned to eliminate duplicates Z: 22 33.880 2.044 0.825 0.865 1.000 0.810 CA 1.453 22 residues pruned to eliminate duplicates Z: 16 13.385 2.089 0.441 0.469 0.733 0.667 CA 1.615 16 residues pruned to eliminate duplicates Z: 9 4.107 1.707 0.104 0.346 0.750 0.625 CA 1.214 Z: 9 13.478 1.832 0.814 0.862 0.875 0.500 CA 1.202 12 residues pruned to eliminate duplicates Z: 9 9.731 1.968 0.431 0.639 0.875 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 21 35.726 2.105 0.843 0.941 1.000 0.750 CB 1.429 21 residues pruned to eliminate duplicates Z: 7 4.138 1.577 0.104 0.546 0.833 0.667 CA 1.113 6 residues pruned to eliminate duplicates Z: 21 36.702 2.106 0.968 0.950 1.000 0.750 CB 1.366 21 residues pruned to eliminate duplicates Z: 21 21.824 2.077 0.170 0.929 1.000 0.950 CB 1.405 21 residues pruned to eliminate duplicates Z: 21 50.001 2.195 1.175 0.930 1.000 0.500 CA 1.638 21 residues pruned to eliminate duplicates Z: 62 45.307 2.081 0.784 0.615 0.951 0.639 CB 1.474 60 residues pruned to eliminate duplicates Z: 14 7.994 1.878 0.346 0.421 0.846 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 37 16.924 1.990 0.567 0.448 0.806 0.528 CB 1.185 37 residues pruned to eliminate duplicates Z: 12 9.268 2.064 0.413 0.432 0.727 0.545 CB 1.413 12 residues pruned to eliminate duplicates Z: 35 35.034 2.099 0.677 0.669 0.941 0.824 CA 1.552 35 residues pruned to eliminate duplicates Z: 15 18.928 2.057 0.685 0.557 0.929 0.714 CB 1.486 15 residues pruned to eliminate duplicates Z: 9 4.088 1.849 -0.108 0.351 0.750 0.375 N 1.372 Z: 6 3.305 1.655 0.242 0.267 0.800 0.800 N 1.173 Z: 6 13.194 1.972 0.860 0.873 1.000 0.800 CB 1.171 6 residues pruned to eliminate duplicates Z: 22 40.714 2.133 0.930 0.902 1.000 0.762 CA 1.540 22 residues pruned to eliminate duplicates Z: 21 39.775 2.176 0.988 0.886 1.000 0.650 CA 1.484 21 residues pruned to eliminate duplicates Z: 57 34.687 2.079 0.672 0.542 0.893 0.429 CB 1.434 57 residues pruned to eliminate duplicates Z: 20 33.630 2.096 0.829 0.914 1.000 0.684 CB 1.423 20 residues pruned to eliminate duplicates Z: 8 4.361 1.694 0.042 0.466 0.857 0.429 N 1.128 Z: 13 5.928 1.719 0.066 0.546 0.917 0.583 CB 0.974 13 residues pruned to eliminate duplicates Z: 25 12.362 1.981 0.437 0.429 0.750 0.458 CB 1.273 25 residues pruned to eliminate duplicates Z: 21 13.873 1.932 0.499 0.401 0.850 0.650 CB 1.399 21 residues pruned to eliminate duplicates Z: 11 11.930 1.682 0.838 0.492 1.000 0.600 CA 1.231 11 residues pruned to eliminate duplicates Z: 31 28.093 2.028 0.962 0.513 0.933 0.567 CB 1.364 17 residues pruned to eliminate duplicates Z: 15 18.682 2.053 0.781 0.690 0.929 0.500 CB 1.237 15 residues pruned to eliminate duplicates Z: 6 4.650 1.981 0.165 0.296 0.800 0.400 N 1.416 6 residues pruned to eliminate duplicates Z: 7 14.175 2.045 0.611 0.674 1.000 0.667 CB 1.496 8 residues pruned to eliminate duplicates Z: 12 9.891 1.914 0.237 0.514 0.909 0.818 CB 1.366 Z: 10 12.465 1.843 0.618 0.701 0.889 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 45 19.947 2.058 0.421 0.352 0.818 0.477 CB 1.475 45 residues pruned to eliminate duplicates Z: 77 41.555 2.079 0.535 0.559 0.921 0.553 CB 1.531 77 residues pruned to eliminate duplicates Z: 34 19.643 2.131 0.467 0.357 0.848 0.485 CB 1.504 34 residues pruned to eliminate duplicates Z: 6 10.424 1.709 0.691 0.837 1.000 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 22 13.937 1.817 0.746 0.422 0.857 0.667 CB 1.213 22 residues pruned to eliminate duplicates Z: 8 8.266 1.723 0.806 0.599 0.857 0.714 CB 1.065 Z: 10 12.248 1.845 0.611 0.677 0.889 0.556 CB 1.313 10 residues pruned to eliminate duplicates Z: 9 7.948 1.727 0.013 0.794 1.000 0.500 CB 1.241 7 residues pruned to eliminate duplicates Z: 77 41.676 2.072 0.622 0.536 0.934 0.526 CA 1.471 77 residues pruned to eliminate duplicates Z: 33 18.614 1.967 0.435 0.416 0.906 0.625 CB 1.405 33 residues pruned to eliminate duplicates Z: 20 36.517 2.108 0.886 0.940 1.000 0.842 CB 1.464 20 residues pruned to eliminate duplicates Z: 6 5.000 1.498 0.676 0.814 1.000 1.000 CB 0.678 6 residues pruned to eliminate duplicates Z: 16 9.432 1.939 0.535 0.340 0.733 0.533 CB 1.329 16 residues pruned to eliminate duplicates Z: 7 8.318 1.869 0.145 0.869 1.000 1.000 CB 1.159 7 residues pruned to eliminate duplicates Z: 43 18.270 1.966 0.591 0.329 0.762 0.429 CB 1.426 24 residues pruned to eliminate duplicates Z: 10 3.759 1.474 0.952 0.302 0.667 0.333 N 0.815 Z: 6 6.486 1.730 0.464 0.767 0.800 0.600 CA 1.130 6 residues pruned to eliminate duplicates Z: 11 6.642 1.681 0.642 0.361 0.700 0.500 CB 1.262 11 residues pruned to eliminate duplicates Z: 8 10.026 1.652 0.547 0.800 1.000 0.571 CA 1.140 8 residues pruned to eliminate duplicates Z: 12 15.820 1.999 0.299 0.915 1.000 1.000 CB 1.298 12 residues pruned to eliminate duplicates Z: 85 35.670 1.995 0.589 0.492 0.881 0.488 CA 1.405 85 residues pruned to eliminate duplicates Z: 12 18.558 2.128 0.650 0.787 0.909 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 14 23.097 2.052 0.617 0.884 0.923 0.692 CA 1.511 14 residues pruned to eliminate duplicates Z: 10 11.868 1.709 0.450 0.855 0.889 0.667 CA 1.325 10 residues pruned to eliminate duplicates Z: 16 9.823 1.876 0.320 0.463 0.867 0.467 CB 1.227 16 residues pruned to eliminate duplicates Z: 14 13.845 2.027 0.533 0.638 0.846 0.769 CB 1.284 14 residues pruned to eliminate duplicates Z: 59 32.300 1.995 0.485 0.554 0.948 0.707 CB 1.432 59 residues pruned to eliminate duplicates Z: 10 9.550 1.715 0.664 0.714 0.889 0.667 CB 1.034 Z: 10 10.850 1.944 0.385 0.632 1.000 0.556 CB 1.186 Z: 36 37.201 2.058 0.836 0.684 0.971 0.629 CA 1.447 36 residues pruned to eliminate duplicates Z: 8 7.715 1.834 0.184 0.700 0.857 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 19 26.752 1.968 0.628 0.881 1.000 0.778 CA 1.426 19 residues pruned to eliminate duplicates Z: 70 42.980 2.111 0.750 0.558 0.957 0.507 CB 1.384 70 residues pruned to eliminate duplicates Z: 21 35.653 2.177 0.871 0.905 0.950 0.700 CA 1.467 21 residues pruned to eliminate duplicates Z: 9 7.172 1.850 0.471 0.381 0.750 0.625 CA 1.410 9 residues pruned to eliminate duplicates Z: 7 3.718 1.770 -0.146 0.500 1.000 0.500 CB 1.005 Z: 18 22.924 2.059 0.426 0.882 1.000 0.882 CA 1.371 18 residues pruned to eliminate duplicates Z: 23 20.568 1.924 0.628 0.582 0.955 0.727 CA 1.356 28 residues pruned to eliminate duplicates Z: 8 7.299 1.819 0.577 0.535 1.000 0.571 CB 0.929 8 residues pruned to eliminate duplicates Z: 14 13.381 2.055 0.582 0.506 0.923 0.692 CB 1.229 14 residues pruned to eliminate duplicates Z: 22 18.863 1.968 0.463 0.826 0.905 0.667 CB 1.192 22 residues pruned to eliminate duplicates Z: 7 7.817 1.607 0.755 0.403 1.000 0.500 CB 1.253 Z: 12 12.272 1.948 0.551 0.674 0.727 0.545 CB 1.434 12 residues pruned to eliminate duplicates Z: 11 5.644 1.840 0.391 0.314 0.700 0.700 CA 1.224 11 residues pruned to eliminate duplicates Z: 10 12.205 2.062 0.655 0.588 1.000 0.778 CA 1.095 10 residues pruned to eliminate duplicates Z: 6 2.268 1.397 0.008 0.595 0.800 0.400 CA 0.823 6 residues pruned to eliminate duplicates Z: 13 7.611 1.917 0.451 0.392 0.667 0.583 CB 1.328 13 residues pruned to eliminate duplicates Z: 8 13.562 1.783 0.588 0.874 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 11 15.533 1.777 0.692 0.821 0.900 0.600 CA 1.374 11 residues pruned to eliminate duplicates Z: 26 15.937 1.868 0.493 0.439 0.920 0.600 CB 1.323 24 residues pruned to eliminate duplicates Z: 11 9.001 1.864 0.840 0.331 0.700 0.400 CA 1.426 11 residues pruned to eliminate duplicates Z: 13 7.894 1.982 0.337 0.406 0.750 0.500 CB 1.265 13 residues pruned to eliminate duplicates Z: 9 8.172 2.251 -0.020 0.407 0.875 0.500 CA 1.650 9 residues pruned to eliminate duplicates Z: 13 15.081 1.909 0.524 0.881 1.000 0.833 CB 1.084 13 residues pruned to eliminate duplicates Z: 21 36.449 2.069 1.001 0.957 1.000 0.750 CB 1.351 21 residues pruned to eliminate duplicates Z: 11 16.732 1.961 0.366 0.832 1.000 0.600 CB 1.483 11 residues pruned to eliminate duplicates Z: 36 19.484 1.964 0.581 0.465 0.886 0.629 CB 1.242 36 residues pruned to eliminate duplicates Z: 10 11.062 1.724 0.436 0.837 0.889 0.667 CA 1.252 10 residues pruned to eliminate duplicates Z: 17 32.053 2.087 0.655 0.922 1.000 0.812 CA 1.631 17 residues pruned to eliminate duplicates Z: 53 41.168 2.132 0.658 0.653 0.981 0.654 CA 1.428 53 residues pruned to eliminate duplicates Z: 40 22.537 2.032 0.580 0.348 0.872 0.462 CB 1.519 40 residues pruned to eliminate duplicates Z: 20 30.096 2.187 0.792 0.884 0.842 0.474 CB 1.512 20 residues pruned to eliminate duplicates Z: 13 6.460 1.528 0.350 0.441 0.917 0.583 CB 1.048 Z: 15 20.757 2.057 0.547 0.925 0.929 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 20 20.510 1.978 0.728 0.576 0.947 0.579 CB 1.350 20 residues pruned to eliminate duplicates Z: 25 19.334 1.875 0.651 0.553 0.917 0.542 CA 1.321 25 residues pruned to eliminate duplicates Z: 23 14.433 1.952 0.583 0.435 0.818 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 20 14.760 2.063 0.700 0.335 0.789 0.632 CB 1.465 20 residues pruned to eliminate duplicates Z: 18 12.267 1.831 0.401 0.425 0.882 0.588 CA 1.422 18 residues pruned to eliminate duplicates Z: 10 10.134 1.902 0.803 0.272 0.889 0.556 CA 1.435 Z: 34 24.897 2.092 0.551 0.479 0.939 0.667 CB 1.452 34 residues pruned to eliminate duplicates Z: 22 16.479 2.041 0.411 0.441 0.857 0.619 CA 1.549 22 residues pruned to eliminate duplicates Z: 15 9.031 1.798 0.201 0.492 0.786 0.786 CB 1.434 Z: 6 4.105 1.530 0.369 0.470 0.800 0.800 CB 1.130 6 residues pruned to eliminate duplicates Z: 14 7.940 1.907 0.456 0.236 0.846 0.385 CB 1.274 14 residues pruned to eliminate duplicates Z: 13 15.829 2.053 0.306 0.764 1.000 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 12 11.151 1.954 0.507 0.359 1.000 0.636 CB 1.330 12 residues pruned to eliminate duplicates Z: 19 16.392 1.931 0.528 0.466 0.944 0.500 CA 1.436 12 residues pruned to eliminate duplicates Z: 6 5.708 1.777 -0.230 0.725 1.000 0.800 CA 1.524 Z: 9 9.189 1.886 0.402 0.637 1.000 0.625 CB 1.081 9 residues pruned to eliminate duplicates Z: 7 4.779 1.814 0.275 0.333 0.833 0.500 CA 1.216 6 residues pruned to eliminate duplicates Z: 17 23.823 2.029 0.556 0.894 1.000 0.875 CA 1.354 17 residues pruned to eliminate duplicates Z: 12 13.870 2.003 0.748 0.859 0.909 0.545 CB 0.967 12 residues pruned to eliminate duplicates Z: 7 6.592 1.454 0.330 0.809 1.000 0.833 CB 1.064 7 residues pruned to eliminate duplicates Z: 35 17.582 2.096 0.469 0.401 0.794 0.412 CB 1.369 35 residues pruned to eliminate duplicates Z: 9 8.182 1.915 0.382 0.603 0.750 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 11 13.004 1.819 0.505 0.729 0.900 0.800 CA 1.358 11 residues pruned to eliminate duplicates Z: 37 25.916 2.052 0.650 0.496 0.944 0.611 CB 1.356 37 residues pruned to eliminate duplicates Z: 21 41.394 2.123 0.972 0.936 1.000 0.700 CB 1.540 21 residues pruned to eliminate duplicates Z: 41 19.741 2.000 0.494 0.361 0.875 0.475 CB 1.387 41 residues pruned to eliminate duplicates Z: 22 40.857 2.120 0.877 0.885 1.000 0.667 CB 1.618 22 residues pruned to eliminate duplicates Z: 42 34.433 2.077 0.530 0.696 1.000 0.610 CB 1.415 42 residues pruned to eliminate duplicates Z: 16 11.562 1.757 0.408 0.489 0.867 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 18 13.705 1.917 0.596 0.331 0.882 0.647 CB 1.482 18 residues pruned to eliminate duplicates Z: 23 8.915 1.779 0.300 0.432 0.773 0.591 CB 1.141 23 residues pruned to eliminate duplicates Z: 9 9.758 1.851 0.479 0.472 1.000 0.750 CB 1.297 9 residues pruned to eliminate duplicates Z: 27 19.257 2.071 0.579 0.419 0.846 0.538 CB 1.485 27 residues pruned to eliminate duplicates Z: 9 9.596 2.035 0.521 0.527 0.875 0.500 CB 1.220 9 residues pruned to eliminate duplicates Z: 7 4.726 1.772 0.425 0.686 0.833 0.833 CB 0.773 Z: 13 18.066 2.151 0.725 0.534 0.917 0.750 CB 1.483 13 residues pruned to eliminate duplicates Z: 14 10.753 1.915 0.692 0.367 0.846 0.538 CA 1.254 14 residues pruned to eliminate duplicates Z: 17 25.463 1.946 0.847 0.915 0.938 0.688 CA 1.335 17 residues pruned to eliminate duplicates Z: 19 18.418 2.013 0.577 0.567 0.889 0.722 CA 1.442 19 residues pruned to eliminate duplicates Z: 35 23.542 2.052 0.490 0.482 0.941 0.647 CA 1.429 35 residues pruned to eliminate duplicates Z: 35 23.776 2.045 0.524 0.489 0.941 0.588 CB 1.406 35 residues pruned to eliminate duplicates Z: 21 34.166 2.037 0.903 0.885 0.950 0.450 CB 1.498 21 residues pruned to eliminate duplicates Z: 9 8.615 1.843 0.194 0.668 0.875 0.625 CA 1.355 9 residues pruned to eliminate duplicates Z: 11 5.422 1.760 0.429 0.453 0.700 0.500 CB 1.022 7 residues pruned to eliminate duplicates Z: 6 3.067 1.450 0.168 0.329 0.800 0.400 CB 1.221 6 0.084 1.520 0.524 0.454 0.800 0.400 CB 0.021 ? Z: 20 13.137 1.977 0.426 0.393 0.842 0.526 CB 1.421 20 residues pruned to eliminate duplicates Z: 12 9.460 1.653 0.763 0.462 1.000 0.545 CB 1.017 12 residues pruned to eliminate duplicates Z: 10 4.174 1.646 0.051 0.512 0.667 0.444 CB 1.192 Z: 25 13.433 1.819 0.329 0.477 0.875 0.625 CA 1.327 25 residues pruned to eliminate duplicates Z: 73 54.279 2.182 0.776 0.615 0.958 0.583 CB 1.545 74 residues pruned to eliminate duplicates Z: 23 13.866 2.092 0.463 0.319 0.773 0.409 CB 1.526 23 residues pruned to eliminate duplicates Z: 15 6.893 1.719 0.135 0.369 0.786 0.571 CB 1.382 13 residues pruned to eliminate duplicates Z: 27 21.395 2.033 0.193 0.764 0.962 0.808 CB 1.424 27 residues pruned to eliminate duplicates Z: 6 4.346 1.305 0.494 0.731 1.000 0.600 CB 0.810 6 residues pruned to eliminate duplicates Z: 19 30.746 2.080 0.755 0.921 0.944 0.667 CA 1.479 19 residues pruned to eliminate duplicates Z: 29 18.469 2.103 0.776 0.317 0.786 0.536 CB 1.455 29 residues pruned to eliminate duplicates Z: 12 17.839 2.177 0.848 0.666 1.000 0.818 CB 1.146 12 residues pruned to eliminate duplicates Z: 82 48.721 2.133 0.620 0.611 0.938 0.704 CB 1.504 82 residues pruned to eliminate duplicates Z: 6 7.370 1.733 0.649 0.623 0.800 0.800 CA 1.283 7 residues pruned to eliminate duplicates Z: 7 10.416 1.799 0.706 0.599 1.000 0.500 CB 1.261 7 residues pruned to eliminate duplicates Z: 6 6.118 1.837 -0.139 0.704 1.000 0.600 CB 1.438 6 residues pruned to eliminate duplicates Z: 19 22.790 2.122 0.386 0.906 0.944 0.611 CB 1.376 19 residues pruned to eliminate duplicates Z: 15 12.702 1.878 0.774 0.464 0.929 0.643 CB 1.139 15 residues pruned to eliminate duplicates Z: 10 12.604 2.026 0.649 0.629 0.889 0.778 CB 1.253 Z: 10 4.375 1.410 0.240 0.360 0.889 0.333 N 1.092 Z: 12 6.447 1.721 0.483 0.400 0.727 0.455 CB 1.163 12 residues pruned to eliminate duplicates 6 1.390 1.583 -0.113 0.279 0.600 0.600 CB 0.947 ? Z: 13 14.118 2.177 0.882 0.350 0.833 0.500 CA 1.405 13 residues pruned to eliminate duplicates 6 1.735 1.475 0.428 0.410 0.600 0.400 CB 0.675 ? Z: 34 20.542 2.001 0.523 0.412 0.909 0.485 CA 1.416 34 residues pruned to eliminate duplicates Z: 9 13.053 1.822 0.552 0.871 1.000 0.750 CA 1.190 9 residues pruned to eliminate duplicates Z: 20 30.544 2.075 0.838 0.871 0.895 0.526 CA 1.497 20 residues pruned to eliminate duplicates Z: 9 7.322 1.505 0.683 0.566 1.000 0.625 CA 0.958 Z: 20 20.579 2.084 0.255 0.880 1.000 0.632 CB 1.308 20 residues pruned to eliminate duplicates Z: 13 11.775 1.909 0.529 0.807 0.833 0.500 CB 1.069 13 residues pruned to eliminate duplicates Z: 11 15.176 1.606 0.669 0.844 1.000 0.700 CA 1.333 11 residues pruned to eliminate duplicates Z: 47 23.515 2.114 0.430 0.384 0.848 0.457 CB 1.531 47 residues pruned to eliminate duplicates Z: 7 6.563 1.664 0.151 0.747 1.000 0.667 CB 1.122 6 residues pruned to eliminate duplicates Z: 6 7.636 1.570 0.614 0.768 1.000 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 14 12.857 1.904 0.389 0.526 1.000 0.692 CA 1.314 14 residues pruned to eliminate duplicates Z: 9 8.891 1.792 0.716 0.558 0.750 0.750 N 1.289 9 residues pruned to eliminate duplicates Z: 11 10.979 1.697 0.341 0.841 0.900 0.700 CB 1.265 10 residues pruned to eliminate duplicates Z: 7 6.108 1.875 0.075 0.529 1.000 0.833 CB 1.202 7 residues pruned to eliminate duplicates Z: 6 6.015 1.563 0.278 0.606 1.000 0.400 N 1.217 6 residues pruned to eliminate duplicates Z: 10 4.545 1.464 0.272 0.286 0.889 0.556 N 1.164 Z: 8 5.431 1.502 0.006 0.714 1.000 0.714 N 1.120 8 residues pruned to eliminate duplicates Z: 13 7.102 1.707 0.424 0.235 0.917 0.417 N 1.251 13 residues pruned to eliminate duplicates Z: 7 2.675 1.456 0.127 0.396 0.667 0.500 N 1.114 Z: 19 12.562 2.041 0.167 0.813 0.833 0.667 CB 1.135 19 residues pruned to eliminate duplicates Z: 7 8.506 1.698 0.417 0.499 1.000 0.667 CB 1.445 8 residues pruned to eliminate duplicates Z: 6 10.286 1.995 0.981 0.493 1.000 0.800 CB 1.172 5 residues pruned to eliminate duplicates Z: 27 21.748 2.166 0.600 0.485 0.846 0.692 CB 1.476 27 residues pruned to eliminate duplicates Z: 14 11.683 1.984 0.817 0.428 0.692 0.615 CA 1.399 14 residues pruned to eliminate duplicates Z: 24 8.345 1.704 0.407 0.357 0.913 0.609 CB 0.927 18 residues pruned to eliminate duplicates Z: 10 7.297 1.973 0.456 0.429 0.778 0.444 CB 1.171 10 residues pruned to eliminate duplicates Z: 10 3.803 1.417 0.296 0.382 0.778 0.667 C 1.007 Z: 10 16.387 2.087 0.611 0.867 1.000 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 13 3.876 1.564 0.284 0.359 0.833 0.500 CB 0.778 9 residues pruned to eliminate duplicates Z: 14 5.049 1.671 0.036 0.443 0.923 0.692 CB 0.929 14 residues pruned to eliminate duplicates Z: 8 4.217 1.745 0.148 0.566 0.714 0.714 CB 1.044 8 residues pruned to eliminate duplicates Z: 17 13.682 1.961 0.369 0.521 0.875 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 24 8.559 1.708 0.305 0.416 0.913 0.696 CB 0.957 19 residues pruned to eliminate duplicates Z: 6 2.897 1.232 0.758 0.655 1.000 0.600 N 0.518 Z: 10 3.178 1.365 -0.137 0.370 0.889 0.778 CB 1.163 10 residues pruned to eliminate duplicates Z: 10 4.240 1.708 0.283 0.307 0.778 0.667 CB 1.027 10 residues pruned to eliminate duplicates Z: 11 14.965 1.760 0.485 0.872 0.900 0.800 CA 1.467 11 residues pruned to eliminate duplicates Z: 6 2.981 1.428 0.662 0.636 0.600 0.600 CB 0.825 Z: 47 27.110 2.022 0.732 0.503 0.891 0.413 CB 1.276 47 residues pruned to eliminate duplicates Z: 7 7.612 1.791 0.481 0.655 0.833 0.833 CA 1.217 14 residues pruned to eliminate duplicates Z: 22 10.600 1.782 0.444 0.355 0.810 0.571 CB 1.300 22 residues pruned to eliminate duplicates Z: 6 5.885 1.693 0.542 0.447 0.800 0.400 CB 1.331 6 residues pruned to eliminate duplicates Z: 17 12.058 1.927 0.566 0.390 0.938 0.625 CB 1.197 22 residues pruned to eliminate duplicates Z: 9 15.395 1.745 0.832 0.854 1.000 0.625 CA 1.258 9 residues pruned to eliminate duplicates Z: 7 7.142 1.674 0.559 0.539 1.000 0.333 CA 1.076 7 residues pruned to eliminate duplicates Z: 7 5.282 1.791 -0.019 0.724 0.833 0.500 CB 1.204 Z: 20 26.832 2.035 0.539 0.920 1.000 0.789 CB 1.384 20 residues pruned to eliminate duplicates 6 1.574 1.621 0.679 0.694 0.800 0.600 CB 0.271 ? Z: 17 13.055 2.013 0.475 0.413 0.812 0.750 CA 1.482 18 residues pruned to eliminate duplicates Z: 13 16.626 2.017 0.771 0.525 0.917 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 8 2.735 1.321 0.689 0.462 0.571 0.429 C 0.842 Z: 8 6.960 1.584 0.350 0.540 1.000 0.571 CA 1.182 8 residues pruned to eliminate duplicates Z: 34 13.977 1.931 0.491 0.369 0.818 0.576 CB 1.189 29 residues pruned to eliminate duplicates Z: 9 13.498 1.814 0.730 0.864 1.000 0.750 CA 1.115 9 residues pruned to eliminate duplicates Z: 6 2.207 1.317 -0.106 0.425 1.000 0.600 O 0.906 Z: 39 27.242 1.948 0.602 0.580 0.947 0.684 CA 1.384 39 residues pruned to eliminate duplicates Z: 67 36.822 2.003 0.657 0.548 0.864 0.576 CB 1.509 67 residues pruned to eliminate duplicates Z: 34 19.306 2.021 0.536 0.348 0.879 0.424 CB 1.452 34 residues pruned to eliminate duplicates Z: 7 3.288 1.405 0.585 0.362 0.667 0.500 CA 1.049 Z: 7 6.029 1.521 0.419 0.463 1.000 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 11 8.595 1.743 0.628 0.465 1.000 0.600 CB 0.993 11 residues pruned to eliminate duplicates Z: 12 9.022 1.783 0.497 0.507 0.727 0.455 CB 1.391 12 residues pruned to eliminate duplicates Z: 15 12.268 1.965 0.389 0.567 0.929 0.786 CB 1.212 15 residues pruned to eliminate duplicates Z: 20 42.092 2.107 1.103 0.948 1.000 0.895 CB 1.505 20 residues pruned to eliminate duplicates Z: 14 8.051 1.627 0.711 0.439 0.769 0.462 CB 1.110 14 residues pruned to eliminate duplicates Z: 19 19.759 2.045 0.255 0.878 0.944 0.833 CB 1.395 19 residues pruned to eliminate duplicates Z: 15 13.641 1.810 0.480 0.837 0.929 0.786 CB 1.097 15 residues pruned to eliminate duplicates Z: 14 12.007 1.978 0.252 0.458 0.923 0.538 CB 1.519 14 residues pruned to eliminate duplicates Z: 24 13.423 1.853 0.428 0.401 0.870 0.565 CB 1.350 24 residues pruned to eliminate duplicates Z: 13 18.093 1.911 0.846 0.724 0.917 0.500 CB 1.320 13 residues pruned to eliminate duplicates Z: 7 2.071 1.503 0.284 0.093 0.833 0.167 CB 0.886 7 1.665 1.439 0.268 0.382 0.667 0.333 CB 0.633 ? Z: 12 8.595 1.897 0.225 0.492 0.727 0.455 CA 1.546 12 residues pruned to eliminate duplicates Z: 13 10.085 1.806 0.618 0.488 0.833 0.667 CA 1.210 13 residues pruned to eliminate duplicates Z: 13 9.885 1.853 0.344 0.512 0.917 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 21 16.637 2.014 0.432 0.496 0.950 0.550 CA 1.363 21 residues pruned to eliminate duplicates 6 1.364 1.320 0.274 0.415 0.600 0.600 CB 0.661 ? Z: 9 3.967 1.678 0.056 0.659 0.750 0.500 CB 0.911 7 residues pruned to eliminate duplicates Z: 18 27.045 2.190 0.649 0.852 0.882 0.588 CB 1.523 18 residues pruned to eliminate duplicates Z: 28 21.944 2.112 0.601 0.485 0.926 0.704 CB 1.370 28 residues pruned to eliminate duplicates Z: 29 19.748 2.014 0.413 0.509 0.964 0.643 CB 1.347 29 residues pruned to eliminate duplicates 6 1.747 1.367 -0.006 0.297 1.000 0.400 CB 0.721 ? Z: 9 6.017 1.388 0.637 0.651 0.875 0.500 CA 0.930 Z: 8 3.832 1.562 0.593 0.361 0.714 0.429 CB 0.946 Z: 16 4.482 1.538 0.147 0.294 0.800 0.533 N 1.032 18 residues pruned to eliminate duplicates Z: 7 2.610 1.634 -0.217 0.667 1.000 0.833 CB 0.713 Z: 9 2.270 1.457 0.358 0.266 0.500 0.250 CB 1.060 Z: 9 2.151 1.354 0.179 0.214 0.625 0.375 CB 1.067 Z: 6 3.890 1.822 0.280 0.643 0.800 0.800 CB 0.816 6 residues pruned to eliminate duplicates Z: 63 48.338 2.085 0.768 0.595 1.000 0.597 CA 1.520 41 residues pruned to eliminate duplicates Z: 33 35.667 2.156 0.742 0.719 1.000 0.719 CA 1.377 33 residues pruned to eliminate duplicates Z: 7 8.211 1.692 1.022 0.564 1.000 0.500 CB 0.921 Z: 7 7.068 1.905 -0.047 0.648 1.000 0.833 CA 1.384 7 residues pruned to eliminate duplicates Z: 13 3.342 1.626 0.360 0.155 0.750 0.583 CB 0.888 13 residues pruned to eliminate duplicates Z: 17 6.025 1.846 0.426 0.348 0.750 0.438 CB 0.899 17 residues pruned to eliminate duplicates Z: 9 5.505 1.737 0.105 0.453 1.000 0.500 CB 1.064 9 residues pruned to eliminate duplicates Z: 30 17.612 2.062 0.493 0.356 0.828 0.448 CB 1.500 30 residues pruned to eliminate duplicates Z: 8 5.275 1.693 -0.130 0.572 1.000 0.857 CB 1.262 8 residues pruned to eliminate duplicates Z: 35 29.814 2.026 0.927 0.543 0.882 0.647 CA 1.424 35 residues pruned to eliminate duplicates Z: 14 14.943 1.909 0.384 0.504 1.000 0.769 CA 1.563 14 residues pruned to eliminate duplicates Z: 9 8.861 1.981 0.170 0.502 1.000 0.500 CB 1.349 9 residues pruned to eliminate duplicates Z: 6 4.601 1.423 0.459 0.401 1.000 0.400 CB 1.100 Z: 33 17.311 2.021 0.613 0.422 0.781 0.438 CB 1.303 33 residues pruned to eliminate duplicates Z: 6 3.783 1.611 0.270 0.426 0.800 0.400 CB 1.117 6 residues pruned to eliminate duplicates 8 1.449 1.310 -0.135 0.493 0.714 0.571 C 0.682 ? Z: 52 40.377 2.153 0.676 0.660 0.941 0.569 CA 1.435 52 residues pruned to eliminate duplicates Z: 12 10.431 1.734 0.631 0.554 1.000 0.636 CB 1.054 10 residues pruned to eliminate duplicates Z: 6 2.267 1.569 0.411 0.437 0.600 0.400 CB 0.815 Z: 10 18.681 1.878 0.799 0.884 1.000 0.667 CB 1.331 10 residues pruned to eliminate duplicates Z: 8 2.694 1.318 0.385 0.322 0.714 0.571 CB 0.950 Z: 8 12.321 1.948 0.145 0.901 1.000 1.000 CA 1.491 8 residues pruned to eliminate duplicates Z: 33 22.704 2.091 0.493 0.460 0.969 0.656 CB 1.383 34 residues pruned to eliminate duplicates Z: 22 22.319 2.034 0.778 0.581 0.857 0.762 CB 1.454 22 residues pruned to eliminate duplicates Z: 8 7.957 1.715 0.691 0.811 0.714 0.571 CA 1.107 8 residues pruned to eliminate duplicates Z: 8 7.807 1.913 0.138 0.643 0.857 0.714 CB 1.385 8 residues pruned to eliminate duplicates Z: 17 11.938 1.936 0.482 0.504 0.812 0.562 CA 1.275 17 residues pruned to eliminate duplicates Z: 6 5.572 1.489 0.611 0.554 0.800 0.600 N 1.232 Z: 9 4.055 1.488 0.457 0.331 0.750 0.500 CB 1.061 Z: 8 7.655 1.504 0.861 0.504 0.857 0.857 CB 1.201 7 residues pruned to eliminate duplicates Z: 24 13.633 1.911 0.248 0.531 0.870 0.652 CA 1.329 24 residues pruned to eliminate duplicates Z: 18 17.225 2.110 0.417 0.425 0.882 0.471 CB 1.712 18 residues pruned to eliminate duplicates Z: 8 5.307 1.691 -0.227 0.584 1.000 0.571 O 1.416 9 residues pruned to eliminate duplicates Z: 8 12.146 2.018 0.122 0.871 1.000 1.000 CA 1.480 8 residues pruned to eliminate duplicates Z: 13 7.796 1.833 0.750 0.300 0.750 0.417 CB 1.170 13 residues pruned to eliminate duplicates Z: 9 5.278 1.705 0.271 0.446 0.875 0.500 CB 1.040 6 residues pruned to eliminate duplicates Z: 15 12.637 1.941 0.640 0.492 0.786 0.500 CA 1.362 15 residues pruned to eliminate duplicates Z: 12 7.447 1.779 0.465 0.305 0.727 0.455 CA 1.472 12 residues pruned to eliminate duplicates Z: 6 4.090 1.902 0.051 0.515 0.600 0.200 CB 1.502 6 residues pruned to eliminate duplicates Z: 24 9.729 1.686 0.420 0.443 0.957 0.696 CB 0.940 23 residues pruned to eliminate duplicates Z: 15 9.348 1.901 0.395 0.358 0.786 0.429 CA 1.398 15 residues pruned to eliminate duplicates 6 1.329 1.200 0.208 0.465 0.600 0.400 N 0.707 ? Z: 18 27.808 2.112 0.811 0.912 1.000 0.471 CB 1.249 18 residues pruned to eliminate duplicates Z: 11 5.020 1.323 0.565 0.345 0.900 0.500 CA 1.008 Z: 12 11.773 1.991 0.409 0.504 0.909 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 34 22.155 2.083 0.498 0.477 0.879 0.667 CB 1.439 34 residues pruned to eliminate duplicates Z: 14 13.343 2.057 0.461 0.488 0.923 0.769 CB 1.351 17 residues pruned to eliminate duplicates Z: 17 8.859 1.752 0.110 0.439 0.875 0.750 CB 1.386 17 residues pruned to eliminate duplicates Z: 6 5.627 1.547 0.315 0.760 1.000 1.000 CA 0.982 6 residues pruned to eliminate duplicates Z: 11 8.836 1.839 0.670 0.402 0.700 0.500 CB 1.441 11 residues pruned to eliminate duplicates Z: 63 32.226 2.078 0.545 0.429 0.887 0.548 CB 1.548 59 residues pruned to eliminate duplicates Z: 11 7.278 2.074 0.133 0.507 0.800 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 30 17.012 1.992 0.293 0.483 1.000 0.586 CA 1.248 30 residues pruned to eliminate duplicates Z: 25 10.386 1.787 0.572 0.276 0.792 0.333 CB 1.228 25 residues pruned to eliminate duplicates Z: 6 6.490 1.719 -0.083 0.859 1.000 0.800 O 1.355 Z: 37 20.884 1.966 0.511 0.431 0.889 0.556 CB 1.416 37 residues pruned to eliminate duplicates Z: 10 13.731 2.017 0.356 0.752 1.000 0.778 CB 1.336 10 residues pruned to eliminate duplicates Z: 7 2.682 1.640 -0.147 0.568 0.667 0.667 CB 1.100 Z: 7 5.573 1.561 0.910 0.250 0.833 0.333 CB 1.221 Z: 11 7.022 1.676 0.491 0.497 1.000 0.600 CB 0.891 10 residues pruned to eliminate duplicates Z: 31 22.041 1.873 0.549 0.641 0.900 0.633 CB 1.351 17 residues pruned to eliminate duplicates Z: 12 8.483 1.915 0.329 0.439 0.909 0.818 CA 1.176 12 residues pruned to eliminate duplicates Z: 13 13.137 1.921 0.748 0.422 0.917 0.667 CB 1.336 13 residues pruned to eliminate duplicates Z: 17 11.094 1.999 0.554 0.404 0.812 0.625 CB 1.215 17 residues pruned to eliminate duplicates Z: 21 33.986 2.025 0.905 0.909 1.000 0.450 CA 1.399 21 residues pruned to eliminate duplicates Z: 13 11.018 1.690 0.733 0.520 0.917 0.583 CB 1.162 10 residues pruned to eliminate duplicates 7 1.828 1.629 0.126 0.214 0.667 0.333 CB 0.855 ? Z: 7 6.205 1.759 0.101 0.562 0.833 0.667 CA 1.479 7 residues pruned to eliminate duplicates Z: 20 38.983 2.095 1.089 0.946 1.000 0.632 CB 1.413 20 residues pruned to eliminate duplicates Z: 11 7.886 1.771 0.327 0.473 0.800 0.500 CB 1.364 11 residues pruned to eliminate duplicates Z: 6 3.623 1.379 0.242 0.625 0.800 0.600 CA 1.051 Z: 9 8.977 1.554 0.529 0.633 1.000 0.500 CA 1.179 7 residues pruned to eliminate duplicates Z: 15 9.407 1.644 0.463 0.440 0.857 0.643 CA 1.298 15 residues pruned to eliminate duplicates Z: 7 6.726 1.874 0.609 0.551 0.667 0.500 CB 1.300 10 residues pruned to eliminate duplicates Z: 12 11.586 1.796 0.482 0.450 0.909 0.636 CA 1.520 12 residues pruned to eliminate duplicates Z: 6 2.603 1.351 0.206 0.370 0.800 0.400 N 1.026 Z: 65 39.030 2.052 0.703 0.594 0.891 0.641 CA 1.433 65 residues pruned to eliminate duplicates Z: 36 22.614 2.029 0.553 0.442 0.914 0.771 CB 1.410 36 residues pruned to eliminate duplicates Z: 28 15.446 2.086 0.447 0.354 0.815 0.481 CB 1.416 28 residues pruned to eliminate duplicates Z: 27 10.503 1.747 0.398 0.342 0.846 0.346 CB 1.184 24 residues pruned to eliminate duplicates Z: 6 2.707 1.250 0.242 0.708 1.000 0.600 CA 0.646 Z: 8 2.277 1.342 0.470 0.324 0.714 0.571 CB 0.741 Z: 6 2.929 1.466 0.309 0.622 0.800 0.600 CA 0.761 Z: 23 9.073 1.754 0.416 0.273 0.773 0.318 CA 1.303 23 residues pruned to eliminate duplicates Z: 11 17.495 1.969 0.581 0.870 1.000 0.600 CA 1.297 11 residues pruned to eliminate duplicates Z: 11 5.407 1.448 0.375 0.473 0.900 0.600 CA 0.981 11 residues pruned to eliminate duplicates Z: 10 9.220 1.677 0.665 0.616 0.778 0.556 CB 1.268 10 residues pruned to eliminate duplicates Z: 24 21.209 2.134 0.694 0.376 0.870 0.609 CA 1.605 24 residues pruned to eliminate duplicates Z: 32 17.746 2.030 0.583 0.382 0.806 0.548 CB 1.395 32 residues pruned to eliminate duplicates Z: 9 4.627 1.662 0.822 0.320 0.875 0.500 CB 0.753 15 residues pruned to eliminate duplicates Z: 9 2.918 1.550 0.288 0.296 0.625 0.500 CB 1.039 Z: 11 11.791 1.979 0.367 0.526 1.000 0.400 CB 1.343 11 residues pruned to eliminate duplicates Z: 11 3.741 1.598 0.153 0.367 0.600 0.500 CB 1.234 11 residues pruned to eliminate duplicates Z: 18 10.012 1.637 0.542 0.583 0.882 0.765 CB 1.007 17 residues pruned to eliminate duplicates Z: 11 3.687 1.598 0.549 0.421 0.700 0.500 CB 0.730 Z: 18 11.885 1.996 0.375 0.444 0.706 0.529 CA 1.575 18 residues pruned to eliminate duplicates Z: 10 4.809 1.459 0.755 0.384 0.667 0.444 CB 1.062 Z: 20 32.848 1.996 0.916 0.928 0.947 0.526 CA 1.457 20 residues pruned to eliminate duplicates Z: 22 37.779 2.071 1.010 0.911 1.000 0.619 CB 1.403 22 residues pruned to eliminate duplicates Z: 21 30.546 2.125 0.560 0.927 1.000 0.900 CB 1.445 21 residues pruned to eliminate duplicates Z: 19 18.173 2.151 0.539 0.547 0.944 0.667 CB 1.308 20 residues pruned to eliminate duplicates Z: 6 2.297 1.543 0.565 0.293 0.600 0.600 C 0.894 Z: 26 15.367 1.959 0.361 0.459 0.920 0.640 CA 1.306 26 residues pruned to eliminate duplicates Z: 10 10.295 1.906 0.574 0.484 1.000 0.778 CA 1.162 10 residues pruned to eliminate duplicates Z: 17 13.318 1.953 0.928 0.426 0.875 0.562 CA 1.091 17 residues pruned to eliminate duplicates Z: 7 6.606 1.690 -0.181 0.770 1.000 0.500 C 1.534 6 residues pruned to eliminate duplicates Z: 6 4.271 1.423 0.287 0.476 1.000 0.400 O 1.069 6 residues pruned to eliminate duplicates Z: 8 5.270 1.665 0.381 0.485 0.857 0.571 CB 1.026 Z: 40 30.483 1.942 0.600 0.629 1.000 0.795 CA 1.392 40 residues pruned to eliminate duplicates Z: 6 2.956 1.638 0.187 0.100 0.800 0.800 CB 1.416 Z: 9 10.662 1.829 0.479 0.714 0.875 0.625 CB 1.312 9 residues pruned to eliminate duplicates Z: 6 3.060 1.774 0.194 0.445 0.800 0.600 CB 0.854 Z: 18 14.152 2.093 0.187 0.837 0.882 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 8 8.853 1.815 0.380 0.625 1.000 0.429 CB 1.187 8 residues pruned to eliminate duplicates Z: 23 14.867 1.964 0.775 0.316 0.818 0.455 CB 1.361 23 residues pruned to eliminate duplicates Z: 20 34.074 2.001 1.021 0.915 0.947 0.316 CA 1.441 20 residues pruned to eliminate duplicates Z: 6 2.416 1.666 -0.145 0.379 0.800 0.400 CB 1.079 Z: 42 37.682 2.047 0.661 0.747 1.000 0.805 CA 1.389 42 residues pruned to eliminate duplicates Z: 10 11.367 1.903 0.571 0.422 1.000 0.556 CA 1.374 10 residues pruned to eliminate duplicates Z: 70 46.483 2.168 0.680 0.582 0.957 0.725 CB 1.484 70 residues pruned to eliminate duplicates Z: 61 30.531 2.070 0.518 0.417 0.900 0.583 CB 1.520 61 residues pruned to eliminate duplicates Z: 19 26.461 2.136 0.703 0.928 1.000 0.500 CB 1.200 19 residues pruned to eliminate duplicates Z: 31 14.219 1.801 0.387 0.409 0.900 0.667 CA 1.271 32 residues pruned to eliminate duplicates Z: 10 5.837 1.674 0.638 0.366 0.667 0.333 CA 1.230 8 residues pruned to eliminate duplicates Z: 6 10.084 1.750 0.468 0.814 1.000 0.800 CB 1.336 6 residues pruned to eliminate duplicates Z: 6 3.043 1.038 0.363 0.809 1.000 0.800 N 0.735 Z: 13 16.115 2.188 0.524 0.466 1.000 0.667 CA 1.444 13 residues pruned to eliminate duplicates Z: 6 2.948 1.361 0.698 0.299 0.800 0.600 CA 0.892 Z: 10 7.647 2.001 1.172 0.225 0.778 0.333 CB 1.040 10 residues pruned to eliminate duplicates Z: 6 5.321 1.520 0.409 0.703 1.000 0.400 CA 0.924 Z: 9 6.124 1.534 0.558 0.317 0.875 0.375 CA 1.267 9 residues pruned to eliminate duplicates Z: 18 33.774 2.054 0.874 0.922 1.000 0.588 CA 1.497 18 residues pruned to eliminate duplicates Z: 56 40.711 2.142 0.575 0.628 0.964 0.527 CA 1.497 56 residues pruned to eliminate duplicates Z: 8 8.126 2.047 0.586 0.248 1.000 0.429 CA 1.265 8 residues pruned to eliminate duplicates Z: 33 22.565 2.150 0.722 0.357 0.844 0.375 CB 1.489 33 residues pruned to eliminate duplicates Z: 11 4.958 1.746 0.307 0.354 0.800 0.600 CA 1.006 11 residues pruned to eliminate duplicates Z: 19 11.619 1.683 0.600 0.531 0.889 0.778 CB 1.110 19 residues pruned to eliminate duplicates Z: 7 2.995 1.254 0.323 0.559 1.000 0.500 CA 0.696 Z: 72 31.297 2.085 0.533 0.387 0.859 0.577 CB 1.525 63 residues pruned to eliminate duplicates Z: 43 33.479 2.120 0.684 0.689 0.905 0.571 CA 1.345 43 residues pruned to eliminate duplicates Z: 7 8.710 1.845 0.603 0.552 1.000 0.667 CA 1.143 7 residues pruned to eliminate duplicates Z: 33 19.345 1.816 0.520 0.602 0.875 0.500 CB 1.284 33 residues pruned to eliminate duplicates Z: 10 8.232 1.900 0.357 0.436 0.889 0.556 CB 1.280 10 residues pruned to eliminate duplicates Z: 19 12.088 1.758 0.292 0.569 0.944 0.611 CB 1.243 19 residues pruned to eliminate duplicates Z: 6 3.651 1.568 0.401 0.340 1.000 0.200 CB 0.885 7 residues pruned to eliminate duplicates Z: 22 31.134 2.044 0.744 0.934 1.000 0.810 CB 1.329 22 residues pruned to eliminate duplicates 6 0.889 1.179 -0.257 0.278 1.000 0.200 CB 0.583 ? Z: 57 31.353 1.994 0.470 0.616 0.946 0.679 CB 1.354 57 residues pruned to eliminate duplicates Z: 11 13.358 2.050 0.773 0.555 0.900 0.700 CA 1.225 11 residues pruned to eliminate duplicates Z: 14 6.186 1.502 0.323 0.427 0.846 0.615 CB 1.100 5 residues pruned to eliminate duplicates Z: 11 8.698 2.158 0.306 0.503 0.800 0.500 CB 1.217 11 residues pruned to eliminate duplicates 7 1.709 1.226 0.182 0.388 1.000 0.500 C 0.542 ? Z: 19 27.402 2.026 0.506 0.874 1.000 0.833 CA 1.540 19 residues pruned to eliminate duplicates Z: 6 2.549 1.432 0.143 0.418 0.800 0.400 N 0.948 Z: 6 10.632 1.923 0.656 0.639 1.000 0.600 CA 1.310 Z: 22 6.563 1.613 0.351 0.352 0.905 0.571 CB 0.853 20 residues pruned to eliminate duplicates Z: 9 8.627 1.791 0.362 0.628 0.875 0.750 N 1.267 9 residues pruned to eliminate duplicates Z: 16 6.485 1.564 0.418 0.427 0.800 0.600 N 1.017 16 residues pruned to eliminate duplicates Z: 7 4.294 1.660 0.256 0.508 1.000 0.333 CA 0.834 8 residues pruned to eliminate duplicates Z: 15 12.180 1.944 0.459 0.398 0.929 0.643 CA 1.377 15 residues pruned to eliminate duplicates Z: 7 2.103 1.295 0.219 0.406 0.833 0.333 CB 0.720 Z: 15 20.797 1.971 0.391 0.925 1.000 0.786 CA 1.423 15 residues pruned to eliminate duplicates Z: 14 2.986 1.373 0.176 0.221 0.769 0.462 CB 0.925 Z: 8 7.042 1.864 0.194 0.665 0.857 0.714 CA 1.198 8 residues pruned to eliminate duplicates Z: 7 2.006 1.446 0.174 0.362 0.667 0.500 CB 0.840 Z: 24 24.349 1.956 0.628 0.642 0.957 0.565 CB 1.459 24 residues pruned to eliminate duplicates Z: 6 3.127 1.411 0.151 0.564 0.800 0.600 CA 1.012 6 residues pruned to eliminate duplicates Z: 19 17.641 2.099 0.545 0.556 0.889 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 50 25.609 2.013 0.516 0.412 0.898 0.531 CB 1.464 50 residues pruned to eliminate duplicates Z: 10 7.559 1.526 0.248 0.573 0.889 0.444 O 1.388 6 residues pruned to eliminate duplicates Z: 8 13.745 1.860 0.719 0.850 0.857 0.571 CA 1.404 8 residues pruned to eliminate duplicates Z: 14 4.358 1.512 0.305 0.211 0.923 0.462 CB 0.933 14 residues pruned to eliminate duplicates Z: 8 12.754 1.958 0.208 0.902 1.000 1.000 CB 1.454 8 residues pruned to eliminate duplicates Z: 27 34.840 2.101 0.958 0.648 0.962 0.615 CB 1.504 27 residues pruned to eliminate duplicates Z: 15 8.285 1.844 0.490 0.327 0.786 0.429 CB 1.241 15 residues pruned to eliminate duplicates Z: 10 5.215 1.428 0.447 0.506 0.889 0.444 N 0.941 Z: 22 16.397 1.958 0.654 0.388 0.905 0.476 CB 1.375 22 residues pruned to eliminate duplicates 7 1.341 1.414 0.046 0.325 0.500 0.333 CB 0.897 ? Z: 13 5.797 1.427 0.456 0.376 0.833 0.583 N 1.103 Z: 6 4.247 1.707 0.247 0.588 0.800 0.600 CB 1.025 7 residues pruned to eliminate duplicates Z: 6 2.202 0.983 0.856 0.431 0.800 0.400 CB 0.724 Z: 9 5.305 1.873 0.523 0.284 0.875 0.500 CB 0.958 9 residues pruned to eliminate duplicates Z: 11 8.790 1.898 0.413 0.451 0.800 0.500 CA 1.363 11 residues pruned to eliminate duplicates Z: 6 4.407 1.530 0.364 0.615 1.000 0.800 CB 0.847 Z: 15 5.102 1.391 0.159 0.379 0.786 0.429 C 1.225 15 residues pruned to eliminate duplicates Z: 13 8.758 1.893 0.516 0.305 0.833 0.417 CB 1.314 13 residues pruned to eliminate duplicates Z: 6 4.086 1.714 0.213 0.476 0.800 0.600 CA 1.126 6 residues pruned to eliminate duplicates Z: 30 17.162 1.988 0.449 0.418 0.897 0.517 CA 1.345 30 residues pruned to eliminate duplicates Z: 59 45.191 2.171 0.661 0.618 0.966 0.724 CB 1.524 59 residues pruned to eliminate duplicates 6 1.730 1.415 0.322 0.109 0.600 0.200 O 1.132 ? Z: 10 7.347 1.765 0.472 0.383 1.000 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 9 4.372 1.167 0.473 0.642 0.875 0.625 C 0.900 Z: 15 13.127 1.993 0.390 0.542 0.929 0.643 CA 1.309 15 residues pruned to eliminate duplicates Z: 6 3.095 1.399 0.709 0.389 1.000 0.400 CA 0.651 Z: 9 3.825 1.398 0.670 0.302 0.750 0.500 CB 0.963 Z: 10 2.261 1.358 0.327 0.171 1.000 0.556 CB 0.623 Z: 27 13.340 1.914 0.555 0.367 0.769 0.423 CB 1.319 31 residues pruned to eliminate duplicates 7 1.427 1.440 0.049 0.217 0.667 0.333 C 0.806 ? Z: 7 4.908 1.622 0.359 0.451 1.000 0.333 CB 0.957 9 residues pruned to eliminate duplicates Z: 25 20.734 1.958 0.388 0.677 0.917 0.792 CB 1.443 25 residues pruned to eliminate duplicates Z: 8 3.322 1.507 0.376 0.390 0.857 0.571 CB 0.794 8 residues pruned to eliminate duplicates Z: 15 29.293 2.139 0.912 0.903 0.929 0.714 CA 1.469 15 residues pruned to eliminate duplicates Z: 19 18.505 2.016 0.543 0.607 0.889 0.444 CB 1.425 19 residues pruned to eliminate duplicates Z: 32 24.369 2.000 0.621 0.579 0.871 0.484 CA 1.437 32 residues pruned to eliminate duplicates Z: 8 7.255 1.898 0.749 0.547 0.857 0.714 CB 0.920 Z: 8 5.730 1.523 0.783 0.335 0.857 0.429 C 1.114 7 1.692 1.510 0.378 0.370 0.833 0.667 CB 0.458 ? Z: 27 14.581 2.057 0.567 0.319 0.808 0.538 CB 1.341 27 residues pruned to eliminate duplicates Z: 31 24.172 2.165 0.772 0.407 0.900 0.567 CB 1.409 31 residues pruned to eliminate duplicates Z: 6 2.135 1.428 0.185 0.296 0.800 0.600 CB 0.885 Z: 7 7.067 1.914 0.219 0.694 1.000 0.833 CB 1.035 7 residues pruned to eliminate duplicates Z: 10 9.932 1.722 0.487 0.682 1.000 0.889 CB 1.094 10 residues pruned to eliminate duplicates 8 1.986 1.019 0.349 0.495 0.857 0.429 CB 0.641 ? Z: 43 14.753 1.813 0.449 0.296 0.810 0.357 CB 1.344 43 residues pruned to eliminate duplicates Z: 19 12.243 1.871 0.395 0.512 0.889 0.722 CB 1.230 19 residues pruned to eliminate duplicates Z: 11 9.427 1.963 0.456 0.392 0.900 0.500 CB 1.300 10 residues pruned to eliminate duplicates 6 1.380 1.363 0.225 0.249 0.800 0.600 N 0.617 ? Z: 7 3.484 1.209 0.215 0.628 1.000 0.500 CB 0.858 Z: 7 6.502 1.846 0.250 0.366 0.833 0.667 C 1.594 7 residues pruned to eliminate duplicates Z: 8 2.953 1.507 0.520 0.497 0.857 0.429 CB 0.570 9 residues pruned to eliminate duplicates 6 1.932 1.380 0.705 0.450 0.800 0.400 CB 0.483 ? Z: 30 13.457 1.856 0.438 0.386 0.931 0.414 CB 1.135 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 5.674 1.809 -0.182 0.692 0.857 0.571 C 1.418 7 residues pruned to eliminate duplicates Z: 9 6.416 1.407 0.701 0.563 0.875 0.500 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 4.148 1.421 0.829 0.358 0.800 0.600 CA 1.040 7 residues pruned to eliminate duplicates Z: 6 5.045 1.469 0.441 0.408 1.000 0.600 CA 1.174 6 residues pruned to eliminate duplicates Z: 7 6.425 1.597 0.452 0.525 0.833 0.667 CA 1.324 7 residues pruned to eliminate duplicates Z: 9 3.111 1.836 0.345 0.062 0.875 0.500 CB 0.905 Z: 8 4.335 1.609 0.732 0.376 0.857 0.429 CB 0.783 8 residues pruned to eliminate duplicates Z: 6 3.381 1.428 0.241 0.523 0.800 0.400 CB 1.043 6 residues pruned to eliminate duplicates Z: 7 4.345 1.769 -0.011 0.574 0.667 0.500 CA 1.416 7 residues pruned to eliminate duplicates Z: 10 4.434 1.717 0.165 0.380 0.778 0.333 CB 1.080 9 residues pruned to eliminate duplicates Z: 8 4.603 1.858 -0.157 0.411 1.000 0.429 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 3.677 1.504 1.033 0.442 1.000 0.800 CA 0.571 6 residues pruned to eliminate duplicates Z: 12 8.573 1.748 0.395 0.474 0.909 0.545 CB 1.197 9 residues pruned to eliminate duplicates Z: 7 3.587 1.726 0.347 0.388 0.667 0.333 CA 1.064 7 residues pruned to eliminate duplicates Z: 44 22.767 2.023 0.549 0.357 0.907 0.605 CB 1.425 44 residues pruned to eliminate duplicates Z: 17 15.176 1.771 0.833 0.415 0.875 0.625 CB 1.460 14 residues pruned to eliminate duplicates Z: 6 3.969 1.638 0.549 0.294 0.800 0.600 C 1.102 6 residues pruned to eliminate duplicates Z: 13 11.872 1.929 0.822 0.400 0.833 0.750 CB 1.299 16 residues pruned to eliminate duplicates Z: 6 2.785 1.459 0.516 0.302 0.800 0.400 CA 0.878 6 residues pruned to eliminate duplicates Z: 18 12.617 1.806 0.698 0.283 0.882 0.529 CB 1.443 18 residues pruned to eliminate duplicates Z: 15 14.229 1.817 0.698 0.421 0.929 0.357 C 1.441 15 residues pruned to eliminate duplicates Z: 8 9.144 1.968 0.082 0.666 1.000 0.286 CB 1.392 8 residues pruned to eliminate duplicates Z: 8 10.715 1.895 0.338 0.677 1.000 0.571 CB 1.356 8 residues pruned to eliminate duplicates Z: 11 8.079 1.876 0.603 0.405 0.800 0.200 CB 1.173 11 residues pruned to eliminate duplicates Z: 23 15.136 1.968 0.415 0.430 0.909 0.591 CB 1.371 23 residues pruned to eliminate duplicates Z: 22 17.331 2.003 0.578 0.400 0.905 0.571 CB 1.469 22 residues pruned to eliminate duplicates Z: 22 15.022 1.926 0.497 0.398 0.905 0.429 CB 1.399 22 residues pruned to eliminate duplicates Z: 26 17.032 1.919 0.498 0.428 0.920 0.400 CB 1.387 26 residues pruned to eliminate duplicates Z: 29 16.317 1.831 0.522 0.448 0.893 0.643 CB 1.307 29 residues pruned to eliminate duplicates 6 0.970 1.133 0.722 0.192 1.000 0.400 CB 0.321 ? Z: 6 2.152 1.382 0.722 0.304 0.800 0.600 CA 0.629 6 residues pruned to eliminate duplicates Z: 27 16.380 1.927 0.379 0.457 0.923 0.615 CB 1.368 27 residues pruned to eliminate duplicates Z: 14 7.934 1.790 0.306 0.414 0.923 0.538 CB 1.116 11 residues pruned to eliminate duplicates Z: 6 2.906 1.393 0.138 0.446 1.000 1.000 O 0.866 6 residues pruned to eliminate duplicates Z: 24 13.383 1.957 0.462 0.351 0.826 0.348 CB 1.387 24 residues pruned to eliminate duplicates Z: 25 15.618 1.916 0.487 0.372 0.917 0.542 CB 1.401 25 residues pruned to eliminate duplicates Z: 27 15.562 1.925 0.475 0.423 0.885 0.462 CB 1.318 27 residues pruned to eliminate duplicates Z: 26 16.018 1.956 0.358 0.424 0.920 0.480 CB 1.419 27 residues pruned to eliminate duplicates Z: 7 2.919 1.426 0.484 0.285 0.833 0.000 CA 0.861 4 residues pruned to eliminate duplicates Z: 6 3.878 1.586 0.378 0.401 0.800 0.400 CA 1.101 Z: 7 5.762 1.864 0.187 0.624 0.833 0.833 CA 1.135 Z: 8 4.586 1.838 0.137 0.451 1.000 0.429 CA 0.873 7 residues pruned to eliminate duplicates Z: 9 5.061 1.778 0.261 0.403 1.000 0.500 CA 0.883 8 residues pruned to eliminate duplicates Z: 17 15.580 1.922 0.585 0.537 0.938 0.625 CB 1.315 35 residues pruned to eliminate duplicates Z: 6 6.966 1.902 0.452 0.573 1.000 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 17 15.320 1.932 0.478 0.551 1.000 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 18 13.599 1.930 0.273 0.553 1.000 0.529 CB 1.275 18 residues pruned to eliminate duplicates Z: 19 13.578 1.931 0.339 0.535 0.944 0.667 CB 1.267 19 residues pruned to eliminate duplicates Z: 18 13.404 1.955 0.242 0.524 1.000 0.588 CB 1.307 18 residues pruned to eliminate duplicates Z: 16 9.963 1.923 0.162 0.448 0.933 0.667 CB 1.301 16 residues pruned to eliminate duplicates Z: 19 15.851 1.946 0.438 0.545 0.944 0.667 CB 1.354 19 residues pruned to eliminate duplicates Z: 16 12.703 1.980 0.452 0.520 0.933 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 19 15.275 1.953 0.375 0.549 0.944 0.611 CB 1.353 19 residues pruned to eliminate duplicates Z: 12 8.600 1.900 0.298 0.543 0.818 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 6 3.681 1.700 0.856 0.205 0.800 0.400 CA 0.925 6 residues pruned to eliminate duplicates Z: 20 14.370 1.888 0.522 0.476 0.895 0.737 CA 1.314 20 residues pruned to eliminate duplicates Z: 20 13.536 1.921 0.345 0.469 0.895 0.579 CA 1.385 20 residues pruned to eliminate duplicates Z: 19 15.874 1.999 0.431 0.461 0.944 0.611 CA 1.441 20 residues pruned to eliminate duplicates 6 1.377 1.470 0.473 0.219 0.800 0.400 CA 0.495 ? Z: 6 5.584 1.606 0.526 0.471 1.000 0.600 CB 1.050 6 residues pruned to eliminate duplicates Z: 35 22.977 2.027 0.550 0.467 0.882 0.735 CB 1.471 35 residues pruned to eliminate duplicates Z: 36 23.287 2.042 0.539 0.464 0.914 0.514 CA 1.421 36 residues pruned to eliminate duplicates Z: 33 27.762 2.128 0.639 0.513 0.938 0.688 CB 1.481 33 residues pruned to eliminate duplicates Z: 35 25.308 2.053 0.599 0.465 0.941 0.559 CB 1.455 35 residues pruned to eliminate duplicates Z: 36 24.769 2.061 0.582 0.473 0.886 0.657 CA 1.490 36 residues pruned to eliminate duplicates Z: 30 14.150 1.850 0.358 0.360 0.931 0.517 CA 1.306 30 residues pruned to eliminate duplicates Z: 35 24.472 2.090 0.491 0.480 0.912 0.618 CB 1.508 35 residues pruned to eliminate duplicates Z: 34 22.195 2.089 0.483 0.461 0.909 0.515 CB 1.427 34 residues pruned to eliminate duplicates Z: 35 25.922 2.099 0.562 0.476 0.941 0.647 CB 1.476 35 residues pruned to eliminate duplicates Z: 35 24.336 2.103 0.538 0.463 0.912 0.529 CB 1.469 35 residues pruned to eliminate duplicates Z: 24 19.892 2.107 0.549 0.523 0.870 0.652 CB 1.429 24 residues pruned to eliminate duplicates Z: 35 21.011 2.058 0.563 0.438 0.853 0.588 CB 1.400 35 residues pruned to eliminate duplicates Z: 35 28.207 2.073 0.598 0.483 1.000 0.647 CA 1.486 35 residues pruned to eliminate duplicates Z: 34 25.033 2.081 0.499 0.478 0.970 0.667 CB 1.473 34 residues pruned to eliminate duplicates Z: 35 21.493 2.033 0.438 0.468 0.912 0.588 CB 1.429 35 residues pruned to eliminate duplicates Z: 33 21.984 2.092 0.462 0.441 0.938 0.625 CB 1.440 33 residues pruned to eliminate duplicates Z: 35 23.400 2.077 0.542 0.453 0.912 0.588 CB 1.442 35 residues pruned to eliminate duplicates Z: 23 21.554 2.155 0.457 0.552 0.955 0.636 CA 1.457 23 residues pruned to eliminate duplicates Z: 6 8.320 1.718 0.849 0.399 1.000 1.000 C 1.303 6 residues pruned to eliminate duplicates Z: 35 26.835 2.071 0.589 0.475 0.971 0.676 CB 1.478 36 residues pruned to eliminate duplicates Z: 10 14.355 1.925 0.559 0.699 0.889 0.778 CA 1.496 10 residues pruned to eliminate duplicates Z: 12 9.039 1.905 0.430 0.415 0.727 0.455 CB 1.505 12 residues pruned to eliminate duplicates Z: 17 11.587 1.992 0.480 0.480 0.750 0.375 CB 1.337 17 residues pruned to eliminate duplicates Z: 10 9.414 1.906 0.428 0.444 0.778 0.444 N 1.570 10 residues pruned to eliminate duplicates Z: 9 13.137 2.055 0.510 0.510 0.875 0.375 CA 1.694 9 residues pruned to eliminate duplicates Z: 20 18.532 2.146 0.649 0.411 0.895 0.368 CB 1.474 20 residues pruned to eliminate duplicates Z: 35 27.494 2.153 0.686 0.497 0.853 0.471 CB 1.528 35 residues pruned to eliminate duplicates Z: 19 19.196 2.115 0.799 0.358 0.889 0.389 CB 1.559 19 residues pruned to eliminate duplicates Z: 18 20.322 2.044 0.762 0.461 0.941 0.529 CB 1.514 18 residues pruned to eliminate duplicates Z: 18 14.666 2.021 0.586 0.415 0.824 0.588 CB 1.473 18 residues pruned to eliminate duplicates Z: 34 23.585 2.184 0.416 0.480 0.879 0.545 CB 1.542 34 residues pruned to eliminate duplicates Z: 43 27.822 2.111 0.598 0.515 0.833 0.500 CB 1.504 43 residues pruned to eliminate duplicates Z: 22 15.744 2.056 0.571 0.359 0.905 0.476 CB 1.368 22 residues pruned to eliminate duplicates Z: 22 13.563 2.074 0.514 0.346 0.810 0.429 CB 1.376 22 residues pruned to eliminate duplicates Z: 25 18.967 2.156 0.624 0.338 0.833 0.542 CB 1.584 25 residues pruned to eliminate duplicates Z: 13 12.894 2.194 0.493 0.241 1.000 0.417 CA 1.535 13 residues pruned to eliminate duplicates Z: 21 14.528 2.149 0.622 0.362 0.900 0.450 CB 1.201 21 residues pruned to eliminate duplicates Z: 36 28.028 2.147 0.665 0.475 0.914 0.457 CB 1.486 36 residues pruned to eliminate duplicates Z: 24 20.139 2.181 0.714 0.373 0.826 0.565 CB 1.558 24 residues pruned to eliminate duplicates Z: 42 22.793 2.098 0.520 0.354 0.878 0.512 CB 1.490 42 residues pruned to eliminate duplicates Z: 32 25.566 2.137 0.772 0.392 0.935 0.548 CB 1.454 32 residues pruned to eliminate duplicates Z: 22 19.069 2.223 0.724 0.339 0.810 0.429 CB 1.600 22 residues pruned to eliminate duplicates Z: 40 24.055 2.060 0.591 0.473 0.846 0.590 CB 1.427 40 residues pruned to eliminate duplicates Z: 37 24.292 2.070 0.678 0.456 0.861 0.556 CB 1.415 37 residues pruned to eliminate duplicates Z: 36 24.103 2.153 0.554 0.459 0.857 0.486 CB 1.482 36 residues pruned to eliminate duplicates Z: 35 27.442 2.169 0.655 0.475 0.882 0.588 CB 1.524 35 residues pruned to eliminate duplicates Z: 34 26.860 2.161 0.651 0.486 0.939 0.545 CB 1.414 34 residues pruned to eliminate duplicates Z: 65 32.443 2.075 0.583 0.465 0.781 0.453 CB 1.637 65 residues pruned to eliminate duplicates Z: 20 20.310 2.169 0.510 0.510 0.895 0.684 CB 1.574 20 residues pruned to eliminate duplicates Z: 8 11.989 1.795 0.645 0.787 1.000 0.714 CA 1.192 8 residues pruned to eliminate duplicates Z: 34 22.925 2.081 0.692 0.380 0.879 0.606 CA 1.465 33 residues pruned to eliminate duplicates Z: 6 9.019 1.962 0.394 0.848 0.800 0.600 CB 1.367 6 residues pruned to eliminate duplicates Z: 35 24.815 2.190 0.634 0.463 0.794 0.529 CB 1.556 35 residues pruned to eliminate duplicates Z: 34 27.117 2.176 0.575 0.479 0.939 0.485 CB 1.498 34 residues pruned to eliminate duplicates Z: 15 10.682 1.925 0.261 0.453 0.929 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 13 10.925 2.023 0.312 0.442 0.917 0.583 CB 1.376 13 residues pruned to eliminate duplicates Z: 18 8.212 1.891 0.257 0.318 0.824 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 16 10.111 1.908 0.425 0.424 0.867 0.733 CB 1.199 16 residues pruned to eliminate duplicates Z: 16 9.749 1.886 0.368 0.467 0.867 0.600 CB 1.164 16 residues pruned to eliminate duplicates Z: 16 10.755 1.900 0.399 0.382 0.867 0.600 CB 1.366 16 residues pruned to eliminate duplicates Z: 15 10.427 1.950 0.499 0.389 0.857 0.571 CB 1.251 15 residues pruned to eliminate duplicates Z: 16 12.937 1.969 0.537 0.447 0.867 0.600 CB 1.345 16 residues pruned to eliminate duplicates Z: 13 14.795 2.106 0.467 0.471 1.000 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 16 11.449 1.971 0.466 0.456 0.867 0.600 CB 1.235 16 residues pruned to eliminate duplicates Z: 15 14.239 2.026 0.648 0.414 0.929 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 15 8.783 1.960 0.318 0.388 0.786 0.643 CB 1.303 15 residues pruned to eliminate duplicates Z: 18 9.740 1.866 0.577 0.306 0.765 0.529 CB 1.303 18 residues pruned to eliminate duplicates Z: 15 7.753 1.799 0.698 0.262 0.643 0.214 CA 1.386 15 residues pruned to eliminate duplicates Z: 17 7.855 1.771 0.533 0.298 0.688 0.375 CB 1.319 17 residues pruned to eliminate duplicates Z: 31 10.302 1.654 0.593 0.373 0.767 0.433 CB 1.067 31 residues pruned to eliminate duplicates Z: 14 7.987 1.808 0.582 0.288 0.769 0.462 CA 1.277 14 residues pruned to eliminate duplicates Z: 10 10.809 1.982 0.566 0.437 0.778 0.333 CA 1.593 10 residues pruned to eliminate duplicates Z: 38 23.131 1.953 0.437 0.563 0.919 0.676 CA 1.387 38 residues pruned to eliminate duplicates Z: 48 30.064 1.999 0.550 0.565 0.915 0.511 CA 1.452 48 residues pruned to eliminate duplicates Z: 10 5.721 1.675 0.441 0.262 0.778 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 13 9.809 1.823 0.545 0.300 0.833 0.250 CA 1.508 13 residues pruned to eliminate duplicates Z: 24 15.598 1.969 0.439 0.417 0.826 0.522 CA 1.516 24 residues pruned to eliminate duplicates Z: 59 31.794 2.014 0.521 0.554 0.897 0.586 CA 1.441 59 residues pruned to eliminate duplicates Z: 24 13.557 1.976 0.358 0.429 0.783 0.565 CA 1.449 24 residues pruned to eliminate duplicates Z: 23 18.265 1.946 0.597 0.590 0.864 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 81 42.232 2.068 0.568 0.581 0.925 0.650 CA 1.457 81 residues pruned to eliminate duplicates Z: 64 37.702 2.044 0.534 0.587 0.937 0.683 CA 1.488 64 residues pruned to eliminate duplicates Z: 35 20.984 1.989 0.511 0.555 0.853 0.618 CA 1.330 35 residues pruned to eliminate duplicates Z: 56 35.963 2.015 0.563 0.622 1.000 0.782 CA 1.372 56 residues pruned to eliminate duplicates Z: 46 32.126 2.035 0.470 0.688 0.956 0.667 CA 1.411 46 residues pruned to eliminate duplicates Z: 44 36.476 2.052 0.585 0.702 1.000 0.651 CA 1.423 44 residues pruned to eliminate duplicates Z: 60 39.369 2.108 0.563 0.580 0.949 0.559 CA 1.518 60 residues pruned to eliminate duplicates Z: 36 30.027 2.063 0.593 0.645 0.914 0.714 CA 1.475 36 residues pruned to eliminate duplicates Z: 27 26.568 2.054 0.645 0.690 0.923 0.692 CA 1.404 27 residues pruned to eliminate duplicates Z: 79 42.581 2.051 0.582 0.565 0.962 0.603 CA 1.451 79 residues pruned to eliminate duplicates Z: 34 30.064 2.087 0.558 0.664 0.939 0.606 CA 1.473 34 residues pruned to eliminate duplicates Z: 35 28.629 2.050 0.637 0.638 0.882 0.588 CA 1.457 35 residues pruned to eliminate duplicates Z: 70 33.947 2.023 0.521 0.493 0.913 0.493 CA 1.464 70 residues pruned to eliminate duplicates Z: 54 37.316 2.038 0.671 0.621 0.943 0.604 CA 1.422 54 residues pruned to eliminate duplicates Z: 79 40.900 2.074 0.507 0.535 0.936 0.564 CB 1.529 79 residues pruned to eliminate duplicates Z: 53 40.897 2.011 0.753 0.694 0.923 0.731 CA 1.460 53 residues pruned to eliminate duplicates Z: 39 31.042 2.008 0.712 0.594 0.947 0.553 CA 1.413 39 residues pruned to eliminate duplicates Z: 56 42.280 2.047 0.660 0.633 0.982 0.600 CA 1.508 56 residues pruned to eliminate duplicates Z: 34 34.950 2.061 0.795 0.674 0.939 0.576 CA 1.490 34 residues pruned to eliminate duplicates Z: 53 37.960 2.042 0.693 0.613 0.942 0.635 CB 1.452 53 residues pruned to eliminate duplicates Z: 84 43.630 2.060 0.649 0.564 0.904 0.566 CA 1.466 84 residues pruned to eliminate duplicates Z: 57 45.302 2.080 0.757 0.629 0.964 0.518 CB 1.522 57 residues pruned to eliminate duplicates Z: 54 43.179 2.039 0.832 0.616 0.981 0.604 CA 1.451 54 residues pruned to eliminate duplicates Z: 45 30.311 2.049 0.559 0.574 0.886 0.432 CA 1.503 45 residues pruned to eliminate duplicates Z: 42 37.257 2.097 0.681 0.599 0.951 0.537 CA 1.579 42 residues pruned to eliminate duplicates Z: 86 42.079 2.044 0.661 0.514 0.906 0.553 CA 1.464 86 residues pruned to eliminate duplicates Z: 64 39.194 2.030 0.652 0.588 0.921 0.540 CA 1.470 64 residues pruned to eliminate duplicates Z: 55 33.419 1.977 0.667 0.570 0.907 0.481 CB 1.421 55 residues pruned to eliminate duplicates Z: 36 31.336 2.034 0.625 0.621 0.971 0.571 CA 1.472 36 residues pruned to eliminate duplicates Z: 28 29.658 2.119 0.758 0.668 0.926 0.630 CB 1.418 28 residues pruned to eliminate duplicates Z: 60 39.301 2.015 0.634 0.605 0.966 0.644 CB 1.456 60 residues pruned to eliminate duplicates Z: 76 42.167 2.097 0.596 0.536 0.933 0.480 CA 1.505 76 residues pruned to eliminate duplicates Z: 21 29.454 2.099 0.928 0.615 1.000 0.700 CA 1.460 21 residues pruned to eliminate duplicates Z: 26 26.903 2.067 0.721 0.532 1.000 0.440 CB 1.466 26 residues pruned to eliminate duplicates Z: 45 26.507 2.052 0.547 0.454 0.886 0.591 CB 1.488 45 residues pruned to eliminate duplicates Z: 40 27.569 2.089 0.647 0.493 0.872 0.487 CA 1.481 40 residues pruned to eliminate duplicates Z: 48 32.302 2.078 0.703 0.478 0.915 0.553 CA 1.489 48 residues pruned to eliminate duplicates Z: 48 29.177 2.060 0.587 0.468 0.915 0.638 CA 1.470 48 residues pruned to eliminate duplicates Z: 62 44.224 2.086 0.716 0.609 0.951 0.541 CA 1.501 62 residues pruned to eliminate duplicates Z: 80 45.990 2.086 0.691 0.559 0.911 0.582 CA 1.519 80 residues pruned to eliminate duplicates Z: 79 42.948 2.061 0.631 0.508 0.962 0.487 CA 1.493 79 residues pruned to eliminate duplicates Z: 85 42.903 2.066 0.603 0.538 0.905 0.500 CA 1.505 85 residues pruned to eliminate duplicates Z: 72 44.444 2.085 0.656 0.544 0.986 0.535 CB 1.485 72 residues pruned to eliminate duplicates Z: 86 39.902 2.041 0.497 0.530 0.941 0.529 CA 1.462 86 residues pruned to eliminate duplicates Z: 70 41.341 2.075 0.590 0.540 0.957 0.565 CA 1.516 70 residues pruned to eliminate duplicates Z: 76 42.180 2.086 0.639 0.522 0.947 0.453 CA 1.472 76 residues pruned to eliminate duplicates Z: 34 19.582 2.027 0.509 0.396 0.879 0.455 CA 1.414 34 residues pruned to eliminate duplicates Z: 46 24.887 2.047 0.618 0.406 0.844 0.489 CB 1.466 46 residues pruned to eliminate duplicates Z: 26 21.824 2.152 0.594 0.369 0.920 0.360 CB 1.592 26 residues pruned to eliminate duplicates Z: 24 20.424 2.115 0.582 0.365 0.913 0.435 CA 1.612 24 residues pruned to eliminate duplicates Z: 85 46.364 2.064 0.675 0.563 0.929 0.560 CA 1.483 85 residues pruned to eliminate duplicates Z: 77 43.435 2.088 0.596 0.546 0.921 0.513 CB 1.552 77 residues pruned to eliminate duplicates Z: 66 39.092 2.112 0.548 0.563 0.908 0.615 CA 1.537 66 residues pruned to eliminate duplicates Z: 24 18.765 2.115 0.403 0.462 0.870 0.522 CA 1.575 24 residues pruned to eliminate duplicates Z: 26 16.499 2.030 0.520 0.410 0.800 0.480 CA 1.468 28 residues pruned to eliminate duplicates Z: 8 8.952 1.798 0.945 0.266 0.857 0.571 CA 1.474 8 residues pruned to eliminate duplicates Z: 14 17.025 2.213 0.575 0.416 0.923 0.615 CA 1.602 14 residues pruned to eliminate duplicates Z: 84 43.694 2.056 0.659 0.553 0.916 0.627 CB 1.458 84 residues pruned to eliminate duplicates Z: 69 37.577 2.014 0.551 0.607 0.941 0.632 CA 1.400 69 residues pruned to eliminate duplicates Z: 47 29.687 2.059 0.563 0.472 0.935 0.500 CB 1.497 47 residues pruned to eliminate duplicates Z: 83 42.250 2.029 0.586 0.559 0.939 0.598 CB 1.458 83 residues pruned to eliminate duplicates Z: 23 14.091 1.982 0.578 0.413 0.727 0.500 CA 1.447 23 residues pruned to eliminate duplicates Z: 24 15.669 2.023 0.496 0.424 0.870 0.478 CA 1.345 24 residues pruned to eliminate duplicates Z: 18 17.825 2.067 0.616 0.571 0.882 0.588 CA 1.369 18 residues pruned to eliminate duplicates Z: 24 17.237 2.008 0.513 0.456 0.870 0.609 CA 1.423 24 residues pruned to eliminate duplicates Z: 8 3.227 1.638 0.412 0.338 0.571 0.286 CA 1.101 8 residues pruned to eliminate duplicates Z: 11 7.901 1.850 0.759 0.652 0.700 0.200 CA 0.951 11 residues pruned to eliminate duplicates Z: 79 37.655 2.027 0.648 0.532 0.872 0.500 CA 1.419 79 residues pruned to eliminate duplicates Z: 26 14.819 1.980 0.372 0.452 0.840 0.520 CA 1.364 25 residues pruned to eliminate duplicates Z: 6 2.859 1.465 0.275 0.245 1.000 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 10 7.127 1.810 0.680 0.204 0.889 0.444 CB 1.249 10 residues pruned to eliminate duplicates Z: 28 12.813 1.859 0.317 0.387 0.926 0.556 CB 1.226 28 residues pruned to eliminate duplicates Z: 13 5.541 1.676 0.456 0.152 0.917 0.333 CB 1.096 13 residues pruned to eliminate duplicates Z: 26 15.204 1.904 0.541 0.322 0.920 0.520 CB 1.370 26 residues pruned to eliminate duplicates Z: 38 20.192 1.984 0.474 0.353 0.919 0.514 CA 1.448 38 residues pruned to eliminate duplicates Z: 24 11.812 1.891 0.361 0.306 0.957 0.478 CB 1.241 24 residues pruned to eliminate duplicates Z: 31 12.785 1.905 0.252 0.371 0.867 0.433 CA 1.297 31 residues pruned to eliminate duplicates Z: 23 13.004 1.926 0.373 0.293 1.000 0.500 CB 1.322 23 residues pruned to eliminate duplicates Z: 22 9.977 1.828 0.533 0.316 0.810 0.619 CA 1.176 22 residues pruned to eliminate duplicates Z: 44 18.707 1.991 0.500 0.327 0.814 0.535 CB 1.419 44 residues pruned to eliminate duplicates Z: 14 12.678 2.012 0.477 0.397 1.000 0.615 CA 1.319 14 residues pruned to eliminate duplicates Z: 25 17.976 1.897 0.645 0.378 1.000 0.458 CB 1.339 25 residues pruned to eliminate duplicates Z: 15 11.457 2.011 0.531 0.286 0.929 0.571 CA 1.363 15 residues pruned to eliminate duplicates Z: 14 12.380 1.992 0.439 0.445 1.000 0.615 CA 1.267 14 residues pruned to eliminate duplicates Z: 28 17.991 1.939 0.505 0.368 0.963 0.481 CA 1.420 28 residues pruned to eliminate duplicates Z: 17 11.718 1.821 0.599 0.366 0.875 0.438 CA 1.327 17 residues pruned to eliminate duplicates Z: 31 17.010 2.041 0.413 0.372 0.900 0.433 CB 1.373 31 residues pruned to eliminate duplicates Z: 29 21.102 2.106 0.444 0.401 0.964 0.571 CA 1.509 29 residues pruned to eliminate duplicates Z: 39 20.470 2.043 0.449 0.375 0.921 0.579 CB 1.392 39 residues pruned to eliminate duplicates Z: 48 24.258 2.000 0.593 0.422 0.851 0.426 CB 1.415 48 residues pruned to eliminate duplicates Z: 7 7.007 1.755 1.105 0.480 1.000 0.667 CB 0.790 7 residues pruned to eliminate duplicates Z: 13 9.388 2.187 0.255 0.343 0.833 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 19 11.702 1.878 0.354 0.429 0.889 0.444 CB 1.313 19 residues pruned to eliminate duplicates Z: 16 10.763 2.006 0.448 0.309 0.867 0.333 CB 1.365 16 residues pruned to eliminate duplicates Z: 38 20.447 2.057 0.451 0.351 0.919 0.432 CB 1.440 38 residues pruned to eliminate duplicates Z: 34 12.854 1.959 0.280 0.354 0.758 0.424 CB 1.380 34 residues pruned to eliminate duplicates Z: 49 20.283 2.014 0.486 0.268 0.875 0.458 CB 1.457 49 residues pruned to eliminate duplicates Z: 25 12.080 2.049 0.448 0.260 0.750 0.333 CB 1.458 25 residues pruned to eliminate duplicates Z: 20 14.816 2.150 0.541 0.350 0.789 0.368 CB 1.530 20 residues pruned to eliminate duplicates Z: 25 14.222 2.040 0.521 0.290 0.792 0.458 CB 1.496 25 residues pruned to eliminate duplicates Z: 10 10.475 2.048 0.821 0.301 0.778 0.444 CA 1.502 10 residues pruned to eliminate duplicates Z: 10 8.678 1.837 0.558 0.417 0.778 0.556 N 1.417 10 residues pruned to eliminate duplicates Z: 41 14.757 1.994 0.335 0.315 0.800 0.500 CB 1.345 41 residues pruned to eliminate duplicates Z: 10 10.876 1.863 0.687 0.383 0.889 0.556 CB 1.470 10 residues pruned to eliminate duplicates Z: 12 8.772 1.960 0.493 0.293 0.818 0.364 CB 1.392 12 residues pruned to eliminate duplicates Z: 14 11.553 2.026 0.304 0.464 0.846 0.462 CA 1.487 14 residues pruned to eliminate duplicates Z: 47 23.613 1.995 0.298 0.548 0.891 0.652 CB 1.440 47 residues pruned to eliminate duplicates Z: 28 14.861 2.058 0.485 0.338 0.704 0.519 CB 1.589 28 residues pruned to eliminate duplicates Z: 32 28.067 2.039 0.457 0.694 0.935 0.742 CB 1.519 32 residues pruned to eliminate duplicates Z: 39 27.153 2.078 0.361 0.609 0.895 0.684 CB 1.569 39 residues pruned to eliminate duplicates Z: 34 31.346 2.045 0.410 0.721 0.970 0.788 CB 1.598 34 residues pruned to eliminate duplicates Z: 26 34.178 2.131 0.550 0.731 1.000 0.800 CB 1.681 26 residues pruned to eliminate duplicates Z: 30 30.318 2.102 0.347 0.732 0.966 0.828 CA 1.672 30 residues pruned to eliminate duplicates Z: 51 29.217 2.012 0.543 0.520 0.860 0.620 CB 1.518 51 residues pruned to eliminate duplicates Z: 39 24.617 1.960 0.338 0.604 0.947 0.605 CB 1.456 39 residues pruned to eliminate duplicates Z: 32 28.046 2.023 0.417 0.689 0.935 0.774 CB 1.580 32 residues pruned to eliminate duplicates Z: 38 33.390 2.136 0.539 0.619 0.919 0.730 CB 1.624 38 residues pruned to eliminate duplicates Z: 24 30.656 2.155 0.510 0.749 1.000 0.739 CB 1.573 24 residues pruned to eliminate duplicates Z: 53 30.482 2.090 0.519 0.532 0.827 0.615 CB 1.560 53 residues pruned to eliminate duplicates Z: 24 29.822 2.141 0.500 0.766 1.000 0.783 CB 1.529 24 residues pruned to eliminate duplicates Z: 35 29.800 2.036 0.495 0.661 0.941 0.735 CB 1.536 35 residues pruned to eliminate duplicates Z: 45 26.176 1.928 0.443 0.592 0.909 0.636 CB 1.428 45 residues pruned to eliminate duplicates Z: 28 30.851 2.104 0.449 0.753 1.000 0.778 CB 1.555 28 residues pruned to eliminate duplicates Z: 39 29.864 1.994 0.480 0.653 0.947 0.737 CB 1.504 39 residues pruned to eliminate duplicates Z: 25 27.511 2.130 0.540 0.723 0.917 0.750 CB 1.528 25 residues pruned to eliminate duplicates Z: 30 25.834 2.056 0.461 0.683 0.897 0.621 CB 1.507 30 residues pruned to eliminate duplicates Z: 24 28.558 2.137 0.583 0.741 0.913 0.826 CB 1.553 24 residues pruned to eliminate duplicates Z: 59 35.058 2.037 0.602 0.558 0.914 0.707 CB 1.459 59 residues pruned to eliminate duplicates Z: 52 30.030 1.991 0.441 0.533 0.922 0.608 CB 1.539 52 residues pruned to eliminate duplicates Z: 34 22.968 2.024 0.486 0.617 0.848 0.606 CB 1.402 34 residues pruned to eliminate duplicates Z: 29 28.726 2.065 0.577 0.691 0.929 0.714 CB 1.508 29 residues pruned to eliminate duplicates Z: 24 26.628 2.132 0.581 0.725 0.913 0.652 CB 1.473 24 residues pruned to eliminate duplicates Z: 39 32.390 1.969 0.690 0.641 0.921 0.605 CB 1.502 39 residues pruned to eliminate duplicates Z: 25 29.573 2.081 0.680 0.707 0.958 0.625 CB 1.492 25 residues pruned to eliminate duplicates Z: 36 26.013 1.968 0.420 0.668 0.886 0.457 CB 1.521 36 residues pruned to eliminate duplicates Z: 53 31.750 2.021 0.636 0.515 0.846 0.577 CB 1.551 53 residues pruned to eliminate duplicates Z: 17 13.871 1.769 0.433 0.627 0.938 0.562 CB 1.294 17 residues pruned to eliminate duplicates Z: 60 31.362 2.060 0.631 0.512 0.814 0.593 CB 1.477 60 residues pruned to eliminate duplicates Z: 8 2.445 1.500 -0.029 0.264 0.714 0.429 C 1.162 7 residues pruned to eliminate duplicates Z: 6 2.238 1.451 -0.079 0.359 1.000 0.400 O 0.873 6 residues pruned to eliminate duplicates Z: 15 11.795 1.734 0.547 0.474 0.857 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 36 24.528 2.014 0.496 0.550 0.886 0.514 CB 1.480 36 residues pruned to eliminate duplicates Z: 40 29.113 1.928 0.610 0.628 0.949 0.641 CB 1.403 40 residues pruned to eliminate duplicates Z: 17 11.540 1.721 0.468 0.396 0.875 0.500 CB 1.457 18 residues pruned to eliminate duplicates Z: 6 2.622 1.436 0.556 0.445 1.000 0.800 CA 0.555 6 residues pruned to eliminate duplicates Z: 7 6.595 1.786 0.517 0.633 0.833 0.667 CA 1.052 7 residues pruned to eliminate duplicates Z: 16 7.356 1.926 0.299 0.440 0.733 0.333 CB 1.103 16 residues pruned to eliminate duplicates Z: 37 16.029 2.016 0.544 0.307 0.778 0.361 CB 1.367 37 residues pruned to eliminate duplicates Z: 35 19.483 2.096 0.503 0.355 0.794 0.500 CB 1.563 35 residues pruned to eliminate duplicates Z: 36 13.809 2.017 0.518 0.296 0.743 0.429 CB 1.290 36 residues pruned to eliminate duplicates Z: 34 18.911 2.130 0.513 0.356 0.818 0.545 CB 1.458 34 residues pruned to eliminate duplicates Z: 34 20.549 2.139 0.476 0.375 0.879 0.576 CB 1.473 34 residues pruned to eliminate duplicates Z: 35 19.650 2.152 0.404 0.382 0.853 0.441 CB 1.483 35 residues pruned to eliminate duplicates Z: 36 17.893 2.046 0.550 0.327 0.743 0.486 CB 1.552 36 residues pruned to eliminate duplicates Z: 35 20.336 2.093 0.559 0.346 0.794 0.618 CB 1.591 18 residues pruned to eliminate duplicates Z: 6 5.932 1.781 0.207 0.407 1.000 0.600 CB 1.360 Z: 10 6.093 2.254 0.224 0.191 0.667 0.333 CB 1.597 10 residues pruned to eliminate duplicates Z: 14 8.123 2.176 0.365 0.251 0.692 0.308 CB 1.460 14 residues pruned to eliminate duplicates Z: 12 7.002 2.093 0.345 0.191 0.727 0.364 CB 1.493 12 residues pruned to eliminate duplicates Z: 15 9.976 2.039 0.608 0.301 0.714 0.429 CB 1.422 15 residues pruned to eliminate duplicates Z: 22 14.770 2.020 0.626 0.270 0.905 0.476 CB 1.409 18 residues pruned to eliminate duplicates Z: 6 2.508 1.616 0.338 0.375 0.600 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 34 18.146 2.161 0.495 0.314 0.818 0.515 CB 1.469 34 residues pruned to eliminate duplicates Z: 27 16.775 2.168 0.519 0.334 0.808 0.577 CB 1.483 27 residues pruned to eliminate duplicates Z: 38 16.255 2.064 0.498 0.296 0.757 0.405 CB 1.434 38 residues pruned to eliminate duplicates Z: 35 19.254 2.085 0.419 0.346 0.882 0.324 CB 1.496 35 residues pruned to eliminate duplicates Z: 35 17.331 2.133 0.573 0.318 0.794 0.353 CB 1.363 35 residues pruned to eliminate duplicates Z: 17 16.822 2.150 0.482 0.463 0.875 0.500 CB 1.566 17 residues pruned to eliminate duplicates Z: 27 15.766 2.193 0.417 0.314 0.808 0.500 CB 1.515 27 residues pruned to eliminate duplicates Z: 30 16.875 2.093 0.534 0.297 0.793 0.379 CB 1.544 30 residues pruned to eliminate duplicates Z: 35 18.483 2.139 0.428 0.349 0.765 0.412 CB 1.597 35 residues pruned to eliminate duplicates Z: 11 8.369 1.859 0.488 0.400 0.700 0.300 N 1.519 Z: 25 16.452 2.181 0.516 0.327 0.792 0.417 CB 1.551 36 residues pruned to eliminate duplicates Z: 15 7.695 2.107 0.423 0.342 0.571 0.286 CB 1.427 15 residues pruned to eliminate duplicates Z: 27 18.666 2.116 0.584 0.315 0.846 0.462 CA 1.583 27 residues pruned to eliminate duplicates Z: 6 3.389 1.540 0.510 0.193 0.800 0.400 CA 1.176 6 residues pruned to eliminate duplicates Z: 38 24.302 2.061 0.504 0.472 0.865 0.568 CA 1.533 38 residues pruned to eliminate duplicates Z: 54 23.695 2.071 0.438 0.374 0.811 0.566 CB 1.542 54 residues pruned to eliminate duplicates Z: 49 18.918 1.960 0.449 0.268 0.854 0.417 CB 1.465 49 residues pruned to eliminate duplicates Z: 30 20.598 2.005 0.546 0.435 0.862 0.586 CB 1.530 30 residues pruned to eliminate duplicates Z: 48 25.003 2.100 0.495 0.397 0.851 0.553 CA 1.520 48 residues pruned to eliminate duplicates Z: 25 14.708 1.914 0.402 0.404 0.875 0.542 CA 1.415 25 residues pruned to eliminate duplicates Z: 18 16.756 2.052 0.339 0.559 0.941 0.706 CA 1.484 18 residues pruned to eliminate duplicates Z: 50 20.217 2.066 0.445 0.341 0.755 0.490 CB 1.524 50 residues pruned to eliminate duplicates Z: 49 23.435 2.068 0.482 0.384 0.833 0.521 CB 1.499 49 residues pruned to eliminate duplicates Z: 15 15.067 1.830 0.641 0.397 1.000 0.500 CA 1.495 15 residues pruned to eliminate duplicates Z: 48 25.311 2.092 0.529 0.384 0.872 0.511 CA 1.497 48 residues pruned to eliminate duplicates Z: 48 20.896 2.036 0.508 0.346 0.830 0.489 CB 1.413 48 residues pruned to eliminate duplicates Z: 25 13.900 1.979 0.257 0.461 0.833 0.625 CA 1.425 25 residues pruned to eliminate duplicates Z: 55 24.092 2.106 0.427 0.369 0.870 0.519 CB 1.443 55 residues pruned to eliminate duplicates Z: 27 15.677 1.972 0.344 0.495 0.846 0.500 CB 1.378 27 residues pruned to eliminate duplicates Z: 57 25.159 2.063 0.504 0.365 0.821 0.500 CB 1.526 57 residues pruned to eliminate duplicates Z: 18 17.028 2.042 0.378 0.557 0.941 0.824 CA 1.476 18 residues pruned to eliminate duplicates Z: 57 24.042 2.069 0.474 0.384 0.821 0.554 CB 1.451 57 residues pruned to eliminate duplicates Z: 22 16.328 2.082 0.278 0.495 0.952 0.619 CB 1.413 22 residues pruned to eliminate duplicates Z: 49 22.422 2.055 0.491 0.373 0.833 0.521 CB 1.451 49 residues pruned to eliminate duplicates Z: 12 10.486 2.051 0.347 0.553 0.818 0.545 CA 1.328 12 residues pruned to eliminate duplicates Z: 27 16.234 2.051 0.193 0.441 0.923 0.692 CB 1.498 27 residues pruned to eliminate duplicates Z: 12 12.082 1.903 0.485 0.511 0.909 0.818 CB 1.403 12 residues pruned to eliminate duplicates Z: 12 9.773 2.004 0.414 0.489 0.818 0.636 CA 1.285 12 residues pruned to eliminate duplicates Z: 45 21.726 2.038 0.355 0.427 0.818 0.591 CA 1.564 45 residues pruned to eliminate duplicates Z: 23 23.202 2.073 0.534 0.541 0.955 0.682 CB 1.566 23 residues pruned to eliminate duplicates Z: 39 22.104 2.052 0.355 0.485 0.868 0.684 CB 1.507 39 residues pruned to eliminate duplicates Z: 15 16.770 2.008 0.533 0.495 1.000 0.714 CB 1.464 15 residues pruned to eliminate duplicates Z: 25 14.170 1.908 0.427 0.409 0.833 0.625 CB 1.403 25 residues pruned to eliminate duplicates Z: 13 17.891 2.151 0.532 0.622 1.000 0.833 CB 1.396 13 residues pruned to eliminate duplicates Z: 43 23.386 1.983 0.442 0.470 0.881 0.548 CA 1.476 43 residues pruned to eliminate duplicates Z: 45 24.098 1.949 0.431 0.478 0.886 0.659 CB 1.503 45 residues pruned to eliminate duplicates Z: 13 17.711 2.135 0.629 0.549 0.917 0.667 CB 1.529 13 residues pruned to eliminate duplicates Z: 25 20.960 2.044 0.445 0.546 0.917 0.750 CA 1.509 25 residues pruned to eliminate duplicates Z: 17 12.637 2.021 0.294 0.474 0.812 0.688 CB 1.526 17 residues pruned to eliminate duplicates Z: 13 16.368 2.070 0.656 0.579 1.000 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 36 25.768 2.049 0.477 0.525 0.914 0.657 CA 1.536 36 residues pruned to eliminate duplicates Z: 16 15.762 2.050 0.436 0.488 0.933 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 16 13.446 2.094 0.444 0.481 0.867 0.600 CB 1.350 16 residues pruned to eliminate duplicates Z: 83 49.700 2.142 0.675 0.584 0.939 0.671 CA 1.503 83 residues pruned to eliminate duplicates Z: 17 8.505 1.788 0.616 0.301 0.625 0.438 N 1.469 17 residues pruned to eliminate duplicates Z: 68 40.842 2.111 0.607 0.596 0.896 0.731 CB 1.498 68 residues pruned to eliminate duplicates Z: 14 8.556 1.947 0.604 0.419 0.692 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 66 28.107 1.977 0.488 0.425 0.862 0.569 CB 1.487 66 residues pruned to eliminate duplicates Z: 10 9.160 2.045 0.347 0.387 0.778 0.444 N 1.606 10 residues pruned to eliminate duplicates Z: 21 14.090 1.893 0.626 0.475 0.800 0.550 CB 1.313 31 residues pruned to eliminate duplicates Z: 13 5.794 1.832 0.345 0.320 0.583 0.250 N 1.419 13 residues pruned to eliminate duplicates Z: 41 35.572 2.124 0.712 0.624 0.900 0.750 CA 1.529 41 residues pruned to eliminate duplicates Z: 41 32.833 2.112 0.726 0.619 0.875 0.750 CA 1.455 41 residues pruned to eliminate duplicates Z: 73 53.266 2.181 0.762 0.611 0.958 0.597 CA 1.535 73 residues pruned to eliminate duplicates Z: 40 37.044 2.123 0.641 0.693 1.000 0.692 CA 1.426 40 residues pruned to eliminate duplicates Z: 55 37.808 2.176 0.551 0.601 0.944 0.648 CA 1.467 55 residues pruned to eliminate duplicates Z: 32 39.447 2.189 0.777 0.723 1.000 0.871 CA 1.489 32 residues pruned to eliminate duplicates Z: 72 47.868 2.168 0.615 0.580 0.986 0.676 CB 1.523 72 residues pruned to eliminate duplicates Z: 31 39.966 2.207 0.795 0.735 1.000 0.900 CA 1.491 31 residues pruned to eliminate duplicates Z: 31 38.924 2.192 0.864 0.736 1.000 0.800 CA 1.407 31 residues pruned to eliminate duplicates Z: 40 38.027 2.131 0.765 0.689 0.949 0.692 CA 1.436 40 residues pruned to eliminate duplicates Z: 84 51.148 2.133 0.726 0.595 0.928 0.675 CB 1.501 84 residues pruned to eliminate duplicates Z: 64 47.515 2.175 0.749 0.597 0.984 0.698 CA 1.458 64 residues pruned to eliminate duplicates Z: 40 35.028 2.121 0.686 0.674 0.974 0.744 CA 1.371 40 residues pruned to eliminate duplicates Z: 71 46.594 2.159 0.716 0.583 0.943 0.657 CB 1.472 71 residues pruned to eliminate duplicates Z: 39 42.957 2.162 0.825 0.704 0.974 0.789 CA 1.507 39 residues pruned to eliminate duplicates Z: 40 34.368 2.050 0.946 0.657 0.949 0.692 CA 1.257 40 residues pruned to eliminate duplicates Z: 73 54.627 2.195 0.742 0.628 0.958 0.667 CB 1.558 73 residues pruned to eliminate duplicates Z: 31 37.480 2.187 0.855 0.721 1.000 0.867 CA 1.381 31 residues pruned to eliminate duplicates Z: 45 47.056 2.133 0.836 0.725 1.000 0.818 CA 1.480 45 residues pruned to eliminate duplicates Z: 42 34.775 2.126 0.622 0.648 0.927 0.683 CA 1.481 42 residues pruned to eliminate duplicates Z: 65 46.387 2.164 0.740 0.602 0.938 0.719 CB 1.491 65 residues pruned to eliminate duplicates Z: 46 36.947 2.088 0.681 0.648 0.933 0.711 CA 1.464 46 residues pruned to eliminate duplicates Z: 73 50.909 2.187 0.745 0.621 0.931 0.653 CB 1.507 73 residues pruned to eliminate duplicates Z: 45 42.067 2.148 0.664 0.720 0.977 0.750 CA 1.488 45 residues pruned to eliminate duplicates Z: 65 42.832 2.151 0.657 0.536 0.938 0.562 CA 1.547 65 residues pruned to eliminate duplicates Z: 70 43.461 2.133 0.746 0.561 0.899 0.623 CB 1.474 70 residues pruned to eliminate duplicates Z: 41 37.402 2.052 0.774 0.655 1.000 0.675 CA 1.407 41 residues pruned to eliminate duplicates Z: 75 51.981 2.163 0.769 0.607 0.946 0.662 CB 1.508 75 residues pruned to eliminate duplicates Z: 43 40.025 2.158 0.640 0.720 1.000 0.738 CA 1.430 43 residues pruned to eliminate duplicates Z: 55 45.231 2.189 0.736 0.633 0.981 0.611 CA 1.457 55 residues pruned to eliminate duplicates Z: 49 37.447 2.124 0.660 0.614 0.896 0.604 CB 1.536 49 residues pruned to eliminate duplicates Z: 73 54.882 2.201 0.638 0.633 1.000 0.653 CA 1.584 73 residues pruned to eliminate duplicates Z: 70 53.659 2.188 0.731 0.619 0.971 0.667 CB 1.570 70 residues pruned to eliminate duplicates Z: 44 38.659 2.163 0.514 0.729 1.000 0.605 CA 1.465 44 residues pruned to eliminate duplicates Z: 68 43.547 2.176 0.593 0.588 0.925 0.597 CB 1.525 68 residues pruned to eliminate duplicates Z: 70 43.985 2.164 0.642 0.574 0.942 0.551 CB 1.473 70 residues pruned to eliminate duplicates Z: 45 42.158 2.138 0.801 0.663 0.955 0.636 CB 1.487 45 residues pruned to eliminate duplicates Z: 44 41.996 2.165 0.732 0.701 0.977 0.581 CA 1.457 44 residues pruned to eliminate duplicates Z: 44 43.610 2.178 0.698 0.710 1.000 0.744 CA 1.486 44 residues pruned to eliminate duplicates Z: 63 43.634 2.168 0.676 0.584 0.935 0.548 CA 1.505 63 residues pruned to eliminate duplicates Z: 47 40.201 2.115 0.692 0.696 0.978 0.652 CA 1.416 47 residues pruned to eliminate duplicates Z: 44 42.655 2.189 0.647 0.727 1.000 0.674 CA 1.470 44 residues pruned to eliminate duplicates Z: 56 42.087 2.125 0.680 0.666 0.927 0.655 CA 1.470 56 residues pruned to eliminate duplicates Z: 83 50.524 2.169 0.662 0.587 0.939 0.549 CB 1.516 83 residues pruned to eliminate duplicates Z: 72 50.589 2.192 0.707 0.594 0.972 0.521 CB 1.510 72 residues pruned to eliminate duplicates Z: 74 52.969 2.188 0.725 0.636 0.959 0.616 CB 1.508 74 residues pruned to eliminate duplicates Z: 54 42.248 2.183 0.613 0.620 0.981 0.642 CA 1.499 54 residues pruned to eliminate duplicates Z: 24 18.096 2.186 0.771 0.382 0.783 0.478 CB 1.412 24 residues pruned to eliminate duplicates Z: 29 25.825 2.227 0.654 0.497 0.893 0.607 CB 1.488 29 residues pruned to eliminate duplicates Z: 29 31.579 2.204 0.873 0.509 0.929 0.571 CB 1.544 29 residues pruned to eliminate duplicates Z: 74 47.704 2.171 0.636 0.599 0.945 0.575 CB 1.514 74 residues pruned to eliminate duplicates Z: 53 44.587 2.213 0.665 0.653 1.000 0.635 CA 1.456 53 residues pruned to eliminate duplicates Z: 63 47.546 2.202 0.704 0.611 0.952 0.565 CA 1.522 63 residues pruned to eliminate duplicates Z: 28 27.992 2.249 0.813 0.500 0.852 0.593 CB 1.551 28 residues pruned to eliminate duplicates Z: 31 26.739 2.148 0.742 0.473 0.900 0.567 CB 1.490 31 residues pruned to eliminate duplicates Z: 78 50.932 2.151 0.804 0.565 0.961 0.584 CB 1.461 78 residues pruned to eliminate duplicates Z: 64 47.256 2.181 0.745 0.603 0.937 0.635 CB 1.515 64 residues pruned to eliminate duplicates Z: 19 15.127 2.077 0.632 0.410 0.889 0.611 CB 1.300 19 residues pruned to eliminate duplicates Z: 64 48.280 2.216 0.714 0.598 0.952 0.603 CB 1.531 64 residues pruned to eliminate duplicates Z: 30 26.609 2.137 0.805 0.506 0.931 0.586 CB 1.368 30 residues pruned to eliminate duplicates Z: 71 41.888 2.146 0.647 0.576 0.914 0.614 CB 1.439 71 residues pruned to eliminate duplicates Z: 20 21.239 2.183 0.762 0.500 0.842 0.474 CB 1.504 20 residues pruned to eliminate duplicates Z: 31 24.244 2.156 0.847 0.459 0.833 0.600 CB 1.391 31 residues pruned to eliminate duplicates Z: 30 30.469 2.175 0.779 0.528 0.966 0.621 CB 1.473 30 residues pruned to eliminate duplicates Z: 13 11.983 1.914 0.321 0.648 0.917 0.667 CB 1.301 13 residues pruned to eliminate duplicates Z: 20 24.935 2.182 0.833 0.497 0.947 0.368 CB 1.515 20 residues pruned to eliminate duplicates Z: 14 23.551 2.065 0.784 0.721 0.923 0.692 CB 1.573 14 residues pruned to eliminate duplicates Z: 31 25.724 2.148 0.831 0.440 0.900 0.533 CB 1.411 31 residues pruned to eliminate duplicates Z: 16 24.679 1.931 0.906 0.706 0.933 0.733 CB 1.537 16 residues pruned to eliminate duplicates Z: 8 15.889 2.155 0.442 0.824 0.857 0.429 CA 1.702 8 residues pruned to eliminate duplicates Z: 17 13.633 1.909 0.563 0.513 0.875 0.562 CB 1.289 17 residues pruned to eliminate duplicates Z: 22 26.617 2.154 0.963 0.571 0.905 0.619 CB 1.418 22 residues pruned to eliminate duplicates Z: 73 52.194 2.183 0.694 0.648 0.944 0.583 CA 1.533 73 residues pruned to eliminate duplicates Z: 53 38.461 2.161 0.720 0.557 0.942 0.577 CB 1.441 53 residues pruned to eliminate duplicates Z: 14 7.041 1.698 0.451 0.213 0.923 0.462 CA 1.204 13 residues pruned to eliminate duplicates 6 1.324 1.401 0.291 0.412 1.000 0.400 CB 0.359 ? Z: 7 3.662 1.472 0.820 0.250 0.667 0.333 CA 1.115 7 residues pruned to eliminate duplicates Z: 66 36.661 2.024 0.678 0.557 0.938 0.585 CB 1.350 66 residues pruned to eliminate duplicates Z: 43 30.057 2.013 0.741 0.565 0.905 0.595 CB 1.373 43 residues pruned to eliminate duplicates Z: 44 30.143 1.956 0.665 0.588 0.953 0.721 CB 1.360 44 residues pruned to eliminate duplicates Z: 31 37.133 2.058 0.989 0.664 0.967 0.667 CB 1.471 31 residues pruned to eliminate duplicates Z: 34 38.309 2.118 0.840 0.686 0.970 0.818 CB 1.488 34 residues pruned to eliminate duplicates Z: 36 36.294 2.039 0.820 0.672 0.971 0.771 CB 1.452 36 residues pruned to eliminate duplicates Z: 37 30.948 1.992 0.878 0.611 0.889 0.583 CB 1.397 37 residues pruned to eliminate duplicates Z: 38 31.813 2.055 0.740 0.609 0.919 0.784 CB 1.436 38 residues pruned to eliminate duplicates Z: 38 32.861 2.030 0.746 0.619 0.946 0.568 CB 1.440 38 residues pruned to eliminate duplicates Z: 49 34.722 2.009 0.739 0.674 0.896 0.646 CB 1.363 49 residues pruned to eliminate duplicates Z: 39 33.313 2.020 0.857 0.612 0.947 0.632 CB 1.368 39 residues pruned to eliminate duplicates Z: 38 31.042 2.031 0.744 0.598 0.919 0.730 CB 1.428 38 residues pruned to eliminate duplicates Z: 65 44.159 2.075 0.806 0.607 0.969 0.656 CB 1.373 65 residues pruned to eliminate duplicates Z: 39 29.874 2.042 0.707 0.555 0.921 0.553 CB 1.431 39 residues pruned to eliminate duplicates Z: 39 35.260 2.055 0.755 0.593 0.947 0.579 CB 1.532 39 residues pruned to eliminate duplicates Z: 64 39.038 2.046 0.735 0.556 0.905 0.603 CB 1.451 62 residues pruned to eliminate duplicates Z: 23 34.925 2.052 0.823 0.825 1.000 0.591 CB 1.502 23 residues pruned to eliminate duplicates Z: 37 36.347 2.058 0.810 0.621 0.972 0.639 CB 1.492 37 residues pruned to eliminate duplicates Z: 36 36.093 2.019 0.784 0.680 1.000 0.743 CB 1.435 36 residues pruned to eliminate duplicates Z: 49 41.195 2.067 0.828 0.660 0.938 0.667 CB 1.447 49 residues pruned to eliminate duplicates Z: 18 13.971 1.856 0.472 0.634 0.882 0.529 CB 1.239 18 residues pruned to eliminate duplicates Z: 67 43.573 2.021 0.845 0.564 0.924 0.636 CB 1.463 67 residues pruned to eliminate duplicates Z: 46 41.175 2.064 0.715 0.711 0.978 0.644 CB 1.465 46 residues pruned to eliminate duplicates Z: 50 38.083 2.018 0.659 0.671 0.980 0.735 CB 1.416 50 residues pruned to eliminate duplicates Z: 13 13.563 1.898 0.771 0.723 0.917 0.500 CB 1.039 13 residues pruned to eliminate duplicates Z: 16 14.593 1.898 0.427 0.700 0.933 0.600 CB 1.242 16 residues pruned to eliminate duplicates Z: 47 39.363 2.057 0.745 0.692 0.935 0.717 CB 1.451 47 residues pruned to eliminate duplicates Z: 31 27.419 2.041 0.978 0.500 1.000 0.567 CB 1.240 31 residues pruned to eliminate duplicates Z: 64 40.380 2.046 0.719 0.563 0.937 0.635 CB 1.453 64 residues pruned to eliminate duplicates Z: 55 43.261 2.055 0.855 0.615 0.944 0.630 CB 1.466 55 residues pruned to eliminate duplicates Z: 67 42.568 2.028 0.872 0.606 0.939 0.606 CB 1.329 67 residues pruned to eliminate duplicates Z: 64 43.901 2.080 0.841 0.588 0.937 0.603 CB 1.417 64 residues pruned to eliminate duplicates Z: 63 36.091 2.019 0.639 0.550 0.968 0.629 CB 1.363 63 residues pruned to eliminate duplicates Z: 50 29.434 2.005 0.685 0.465 0.898 0.531 CB 1.436 50 residues pruned to eliminate duplicates Z: 64 44.197 2.066 0.825 0.604 0.937 0.651 CB 1.428 64 residues pruned to eliminate duplicates Z: 23 19.441 2.085 0.845 0.364 0.909 0.545 CB 1.371 23 residues pruned to eliminate duplicates Z: 32 25.731 2.049 0.642 0.513 0.968 0.581 CB 1.401 32 residues pruned to eliminate duplicates Z: 37 25.929 2.042 0.648 0.470 0.917 0.528 CB 1.443 37 residues pruned to eliminate duplicates Z: 63 42.460 2.082 0.746 0.574 0.952 0.710 CB 1.451 63 residues pruned to eliminate duplicates Z: 21 19.806 2.122 0.811 0.323 0.950 0.450 CB 1.475 21 residues pruned to eliminate duplicates Z: 19 16.962 2.092 0.792 0.387 0.833 0.556 CB 1.443 19 residues pruned to eliminate duplicates Z: 22 18.735 2.044 0.859 0.354 0.905 0.524 CB 1.393 22 residues pruned to eliminate duplicates Z: 21 19.383 2.081 0.969 0.386 0.900 0.600 CB 1.326 21 residues pruned to eliminate duplicates Z: 63 45.267 2.096 0.788 0.567 0.952 0.694 CB 1.511 63 residues pruned to eliminate duplicates Z: 18 15.170 2.117 0.773 0.368 0.765 0.588 CB 1.477 18 residues pruned to eliminate duplicates Z: 14 11.943 2.078 0.765 0.450 0.769 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 64 37.140 2.044 0.595 0.562 0.952 0.714 CB 1.419 22 residues pruned to eliminate duplicates Z: 6 3.147 1.417 1.139 0.381 0.800 0.400 CA 0.659 6 residues pruned to eliminate duplicates Z: 46 35.439 2.115 0.755 0.543 0.933 0.667 CB 1.462 31 residues pruned to eliminate duplicates Z: 6 3.938 1.667 0.986 0.426 0.600 0.600 CA 0.958 6 residues pruned to eliminate duplicates Z: 35 33.389 2.046 0.667 0.700 0.971 0.824 CB 1.442 35 residues pruned to eliminate duplicates Z: 36 33.195 2.107 0.646 0.623 0.943 0.657 CA 1.528 36 residues pruned to eliminate duplicates Z: 35 33.312 2.115 0.568 0.639 0.971 0.735 CB 1.558 35 residues pruned to eliminate duplicates Z: 33 25.410 2.039 0.494 0.638 0.938 0.719 CA 1.383 33 residues pruned to eliminate duplicates Z: 38 31.293 2.075 0.597 0.615 0.946 0.784 CB 1.472 38 residues pruned to eliminate duplicates Z: 36 33.970 2.028 0.579 0.715 0.971 0.800 CA 1.520 36 residues pruned to eliminate duplicates Z: 54 39.989 2.047 0.710 0.652 0.962 0.717 CB 1.416 50 residues pruned to eliminate duplicates Z: 24 29.276 2.043 0.531 0.844 1.000 0.913 CB 1.452 24 residues pruned to eliminate duplicates Z: 15 11.647 2.067 0.624 0.274 0.786 0.429 CB 1.525 15 residues pruned to eliminate duplicates Z: 6 4.147 1.508 0.814 0.158 0.800 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 14 14.713 2.063 0.847 0.356 0.846 0.462 CA 1.478 16 residues pruned to eliminate duplicates Z: 6 5.864 1.742 0.561 0.356 1.000 0.400 CA 1.127 6 residues pruned to eliminate duplicates Z: 14 8.780 2.010 0.504 0.280 0.769 0.308 CB 1.343 14 residues pruned to eliminate duplicates 7 1.752 1.595 -0.023 0.102 0.833 0.333 CB 0.914 ? 722 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 6 D: 6 E: 13 F: 8 G: 6 H: 6 I: 27 J: 8 K: 10 L: 7 M: 11 N: 17 O: 6 P: 11 Q: 19 R: 20 S: 39 T: 97 U: 127 V: 15 W: 156 X: 11 Y: 63 Z: 14 CC for partial structure against native data = 26.80 % ------------------------------------------------------------------------------ Global autotracing cycle 10 = 0.300, Contrast = 0.384, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.442, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.557, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6533 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1297 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 10.678 1.929 0.372 0.717 0.875 0.625 CB 1.340 B: 18 13.329 1.954 0.402 0.434 0.882 0.588 CB 1.432 C: 15 19.869 2.169 0.338 0.919 1.000 0.786 CB 1.290 D: 8 10.125 1.803 0.486 0.894 0.857 0.857 CA 1.195 7 residues pruned to eliminate duplicates E: 21 31.930 2.100 0.577 0.932 1.000 0.850 CB 1.506 F: 28 16.529 1.972 0.524 0.364 0.852 0.333 CA 1.439 G: 18 28.490 2.079 0.607 0.907 1.000 0.765 CA 1.470 H: 12 17.079 1.928 0.718 0.823 1.000 0.545 CA 1.176 I: 33 23.795 2.073 0.543 0.480 0.938 0.594 CB 1.432 J: 11 20.391 2.028 0.953 0.543 0.900 0.700 C 1.734 K: 26 15.241 1.937 0.413 0.411 0.840 0.440 CB 1.455 L: 14 8.062 1.659 0.456 0.508 0.692 0.308 CA 1.327 14 residues pruned to eliminate duplicates M: 36 19.805 1.968 0.427 0.441 0.943 0.629 CB 1.344 36 residues pruned to eliminate duplicates N: 27 15.109 2.066 0.371 0.313 0.846 0.538 CA 1.521 O: 22 15.289 2.164 0.545 0.281 0.810 0.524 CB 1.578 22 residues pruned to eliminate duplicates P: 20 26.110 1.969 0.722 0.790 0.947 0.579 CA 1.446 20 residues pruned to eliminate duplicates Q: 21 32.042 2.044 0.681 0.938 1.000 0.800 CB 1.450 21 residues pruned to eliminate duplicates R: 11 14.717 1.723 0.691 0.841 0.900 0.700 CA 1.323 S: 30 21.436 2.102 0.716 0.467 0.862 0.517 CB 1.323 10 residues pruned to eliminate duplicates T: 50 22.694 2.040 0.362 0.387 0.918 0.551 CB 1.432 28 residues pruned to eliminate duplicates U: 24 15.488 1.848 0.711 0.470 0.913 0.565 CB 1.153 V: 10 17.082 2.104 0.652 0.901 0.889 0.778 CA 1.316 10 residues pruned to eliminate duplicates W: 17 10.064 1.883 0.619 0.327 0.812 0.562 CB 1.229 17 residues pruned to eliminate duplicates X: 9 11.775 2.003 0.165 0.847 0.875 0.625 CA 1.514 10 residues pruned to eliminate duplicates Y: 47 21.770 2.083 0.408 0.354 0.848 0.565 CA 1.511 47 residues pruned to eliminate duplicates Z: 73 44.603 2.132 0.760 0.566 0.917 0.528 CB 1.433 21 residues pruned to eliminate duplicates Z: 21 34.824 2.100 0.854 0.929 1.000 0.750 CB 1.399 21 residues pruned to eliminate duplicates Z: 20 39.822 2.257 0.718 0.912 1.000 0.947 CB 1.669 20 residues pruned to eliminate duplicates Z: 17 15.763 1.910 0.528 0.439 1.000 0.625 CB 1.438 17 residues pruned to eliminate duplicates Z: 16 38.281 2.227 0.987 0.931 1.000 0.867 CB 1.560 16 residues pruned to eliminate duplicates Z: 21 31.314 2.083 0.695 0.921 1.000 0.850 CB 1.395 21 residues pruned to eliminate duplicates Z: 22 27.955 1.940 0.511 0.877 1.000 0.762 CB 1.512 22 residues pruned to eliminate duplicates Z: 12 16.106 1.803 0.560 0.857 1.000 0.636 CB 1.273 Z: 13 11.137 1.913 0.847 0.410 0.833 0.500 CB 1.199 11 residues pruned to eliminate duplicates Z: 22 38.534 2.151 0.838 0.896 1.000 0.905 CB 1.523 22 residues pruned to eliminate duplicates Z: 8 14.659 2.027 0.426 0.817 1.000 0.714 CB 1.456 8 residues pruned to eliminate duplicates Z: 14 16.078 1.887 0.632 0.862 0.846 0.769 CA 1.257 14 residues pruned to eliminate duplicates Z: 21 20.966 1.997 0.603 0.658 0.950 0.600 CB 1.332 12 residues pruned to eliminate duplicates Z: 34 26.799 2.153 0.533 0.502 0.909 0.545 CB 1.552 8 residues pruned to eliminate duplicates Z: 17 25.782 2.058 0.563 0.911 1.000 0.938 CA 1.420 17 residues pruned to eliminate duplicates Z: 23 20.606 2.036 0.520 0.473 0.909 0.591 CB 1.604 23 residues pruned to eliminate duplicates Z: 14 14.397 1.994 0.813 0.413 0.846 0.538 CB 1.430 13 residues pruned to eliminate duplicates Z: 21 39.714 2.179 0.905 0.935 0.950 0.550 CB 1.569 21 residues pruned to eliminate duplicates Z: 58 31.749 1.977 0.522 0.589 0.930 0.561 CA 1.381 45 residues pruned to eliminate duplicates Z: 30 10.708 1.891 0.450 0.351 0.793 0.414 CB 1.074 31 residues pruned to eliminate duplicates Z: 21 43.636 2.168 0.904 0.922 1.000 0.750 CB 1.663 21 residues pruned to eliminate duplicates Z: 17 12.202 1.850 0.432 0.453 0.875 0.438 CB 1.382 Z: 22 38.359 2.111 0.872 0.911 1.000 0.905 CB 1.501 22 residues pruned to eliminate duplicates Z: 10 5.392 1.776 0.408 0.451 0.778 0.667 CB 0.972 Z: 13 19.041 1.944 0.637 0.892 1.000 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 81 48.272 2.097 0.734 0.564 0.975 0.550 CB 1.431 80 residues pruned to eliminate duplicates Z: 7 4.539 1.578 0.516 0.553 0.833 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 23 16.311 2.101 0.371 0.538 0.818 0.682 CB 1.422 23 residues pruned to eliminate duplicates Z: 26 13.349 1.923 0.368 0.371 0.880 0.600 CB 1.324 24 residues pruned to eliminate duplicates Z: 22 39.697 2.153 0.861 0.891 1.000 0.952 CA 1.555 22 residues pruned to eliminate duplicates Z: 40 23.405 1.991 0.336 0.563 0.949 0.718 CB 1.397 26 residues pruned to eliminate duplicates Z: 21 33.811 2.218 0.782 0.887 0.900 0.600 CB 1.532 21 residues pruned to eliminate duplicates Z: 40 28.680 2.093 0.557 0.490 0.949 0.590 CB 1.500 39 residues pruned to eliminate duplicates Z: 15 15.937 2.052 0.378 0.501 0.929 0.643 CB 1.621 15 residues pruned to eliminate duplicates Z: 22 25.398 1.984 0.393 0.898 1.000 0.762 CB 1.434 22 residues pruned to eliminate duplicates Z: 7 11.900 2.110 0.443 0.819 1.000 0.667 CB 1.210 7 residues pruned to eliminate duplicates Z: 11 15.529 1.985 0.679 0.569 1.000 0.600 CA 1.378 Z: 35 15.609 1.975 0.330 0.396 0.824 0.441 CB 1.382 35 residues pruned to eliminate duplicates Z: 22 16.120 2.068 0.588 0.372 0.857 0.238 CB 1.432 22 residues pruned to eliminate duplicates Z: 21 33.635 2.155 0.611 0.905 1.000 0.800 CA 1.543 21 residues pruned to eliminate duplicates Z: 20 36.207 2.118 0.756 0.895 1.000 0.632 CB 1.601 20 residues pruned to eliminate duplicates Z: 39 29.202 2.091 0.536 0.493 0.947 0.553 CB 1.568 39 residues pruned to eliminate duplicates Z: 77 37.502 1.979 0.559 0.525 0.908 0.500 CA 1.499 76 residues pruned to eliminate duplicates Z: 36 28.202 2.079 0.671 0.478 0.943 0.543 CB 1.488 36 residues pruned to eliminate duplicates Z: 22 16.201 2.098 0.442 0.504 0.810 0.619 CB 1.438 22 residues pruned to eliminate duplicates Z: 22 37.764 2.112 0.944 0.889 1.000 0.619 CB 1.446 22 residues pruned to eliminate duplicates Z: 53 25.919 2.053 0.325 0.426 0.923 0.558 CB 1.545 54 residues pruned to eliminate duplicates Z: 19 19.177 2.076 0.394 0.872 0.944 0.611 CB 1.205 14 residues pruned to eliminate duplicates Z: 10 12.005 1.818 0.435 0.857 0.889 0.667 CA 1.272 11 residues pruned to eliminate duplicates Z: 33 20.844 2.054 0.435 0.466 1.000 0.625 CB 1.295 33 residues pruned to eliminate duplicates Z: 20 32.594 2.072 0.894 0.899 0.947 0.632 CB 1.438 20 residues pruned to eliminate duplicates Z: 18 31.773 2.069 0.874 0.894 1.000 0.353 CB 1.426 18 residues pruned to eliminate duplicates Z: 13 11.131 1.811 0.782 0.451 0.917 0.583 CB 1.142 13 residues pruned to eliminate duplicates Z: 31 21.300 2.024 0.529 0.438 0.933 0.533 CB 1.435 33 residues pruned to eliminate duplicates Z: 13 10.419 2.170 0.377 0.403 0.833 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 12 15.099 2.073 0.421 0.888 1.000 0.545 CB 1.113 12 residues pruned to eliminate duplicates Z: 12 17.280 1.960 0.754 0.829 1.000 0.727 CB 1.140 12 residues pruned to eliminate duplicates Z: 7 3.418 1.667 0.198 0.572 0.667 0.333 CB 0.978 7 residues pruned to eliminate duplicates Z: 21 23.696 2.069 0.481 0.923 1.000 0.700 CB 1.215 19 residues pruned to eliminate duplicates Z: 7 2.560 1.685 0.199 0.247 0.500 0.500 CB 1.386 7 residues pruned to eliminate duplicates Z: 10 15.471 1.905 0.535 0.915 0.889 0.778 CB 1.403 9 residues pruned to eliminate duplicates Z: 21 9.295 1.972 0.435 0.341 0.700 0.350 CB 1.247 21 residues pruned to eliminate duplicates Z: 37 22.072 2.060 0.243 0.492 0.972 0.583 CB 1.490 39 residues pruned to eliminate duplicates Z: 7 5.278 1.874 0.337 0.244 0.833 0.333 N 1.387 Z: 23 18.139 2.068 0.301 0.470 1.000 0.682 CB 1.483 23 residues pruned to eliminate duplicates Z: 7 9.110 1.925 0.485 0.870 0.833 0.667 CA 1.139 7 residues pruned to eliminate duplicates Z: 27 24.274 2.136 0.538 0.543 0.962 0.577 CB 1.445 27 residues pruned to eliminate duplicates Z: 28 11.792 1.892 0.244 0.394 0.963 0.593 CB 1.120 Z: 7 15.107 2.021 0.436 0.870 1.000 0.833 CB 1.551 7 residues pruned to eliminate duplicates Z: 12 14.138 2.027 0.223 0.864 0.909 0.545 CB 1.387 12 residues pruned to eliminate duplicates Z: 12 7.708 1.885 0.572 0.356 0.636 0.273 CB 1.441 11 residues pruned to eliminate duplicates Z: 22 36.245 2.139 0.774 0.889 0.905 0.381 CB 1.658 22 residues pruned to eliminate duplicates Z: 33 25.171 2.041 0.500 0.516 0.906 0.719 CB 1.578 34 residues pruned to eliminate duplicates Z: 35 17.308 2.019 0.478 0.428 0.824 0.647 CB 1.303 35 residues pruned to eliminate duplicates Z: 14 6.780 1.926 0.102 0.389 0.846 0.385 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 10.917 1.958 0.460 0.811 0.857 0.571 CA 1.284 8 residues pruned to eliminate duplicates Z: 19 11.954 1.875 0.462 0.518 0.833 0.611 CB 1.211 Z: 27 14.360 1.789 0.439 0.433 0.885 0.577 CA 1.325 22 residues pruned to eliminate duplicates Z: 10 9.358 2.012 0.630 0.432 0.667 0.444 CB 1.530 10 residues pruned to eliminate duplicates Z: 18 14.982 2.139 0.739 0.316 0.882 0.588 CB 1.357 18 residues pruned to eliminate duplicates Z: 12 14.623 2.014 0.601 0.575 1.000 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 9 13.704 1.837 0.482 0.833 1.000 0.875 CA 1.336 9 residues pruned to eliminate duplicates Z: 16 7.022 1.784 0.420 0.361 0.667 0.400 CB 1.246 16 residues pruned to eliminate duplicates Z: 19 27.497 2.050 0.665 0.931 1.000 0.778 CB 1.327 20 residues pruned to eliminate duplicates Z: 37 30.955 2.051 0.509 0.638 0.944 0.667 CA 1.551 38 residues pruned to eliminate duplicates Z: 11 10.933 1.829 0.187 0.909 1.000 0.900 CB 1.131 11 residues pruned to eliminate duplicates Z: 22 35.229 2.168 0.678 0.909 1.000 0.905 CB 1.500 22 residues pruned to eliminate duplicates Z: 9 13.456 2.017 0.691 0.711 1.000 0.625 CB 1.151 8 residues pruned to eliminate duplicates Z: 6 5.634 1.573 0.360 0.813 1.000 0.600 CA 0.897 6 residues pruned to eliminate duplicates Z: 36 15.773 2.073 0.415 0.326 0.743 0.457 CB 1.481 27 residues pruned to eliminate duplicates Z: 10 5.279 1.688 0.483 0.500 0.778 0.778 CB 0.904 Z: 21 10.426 1.713 0.588 0.374 0.900 0.450 CA 1.090 19 residues pruned to eliminate duplicates Z: 19 35.152 2.090 0.721 0.930 1.000 0.778 CA 1.612 19 residues pruned to eliminate duplicates Z: 22 20.879 2.016 0.236 0.915 1.000 0.905 CB 1.292 22 residues pruned to eliminate duplicates Z: 22 19.787 2.097 0.451 0.562 0.952 0.762 CB 1.403 22 residues pruned to eliminate duplicates Z: 12 18.113 1.774 0.590 0.928 1.000 0.909 CA 1.356 12 residues pruned to eliminate duplicates Z: 12 16.533 1.993 0.565 0.889 1.000 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 28 23.795 2.024 0.601 0.670 0.926 0.704 CA 1.305 28 residues pruned to eliminate duplicates Z: 19 29.267 2.121 0.781 0.882 0.944 0.667 CB 1.399 19 residues pruned to eliminate duplicates Z: 7 4.516 1.560 -0.043 0.685 1.000 0.500 CA 1.042 Z: 14 6.122 1.748 0.850 0.273 0.538 0.385 CB 1.262 14 residues pruned to eliminate duplicates Z: 13 16.301 1.929 0.534 0.882 1.000 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 36 18.381 1.974 0.399 0.471 0.886 0.657 CB 1.308 36 residues pruned to eliminate duplicates Z: 21 38.458 2.198 0.822 0.910 0.950 0.600 CB 1.602 21 residues pruned to eliminate duplicates Z: 14 23.340 1.896 0.949 0.840 0.923 0.769 CA 1.417 14 residues pruned to eliminate duplicates Z: 34 20.918 2.011 0.569 0.376 0.879 0.364 CA 1.498 34 residues pruned to eliminate duplicates Z: 11 5.435 1.600 0.248 0.409 0.900 0.500 CB 1.051 7 residues pruned to eliminate duplicates Z: 21 28.918 2.042 0.553 0.915 1.000 0.900 CB 1.441 21 residues pruned to eliminate duplicates Z: 79 44.175 2.117 0.678 0.553 0.885 0.551 CA 1.510 79 residues pruned to eliminate duplicates Z: 13 11.609 1.871 0.748 0.453 0.833 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 16 7.431 1.680 0.753 0.339 0.667 0.333 CB 1.165 Z: 9 4.824 1.651 0.093 0.457 1.000 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 22 23.812 1.976 0.829 0.648 1.000 0.714 CB 1.252 22 residues pruned to eliminate duplicates Z: 10 11.109 1.684 0.323 0.865 1.000 0.556 CA 1.218 10 residues pruned to eliminate duplicates Z: 22 32.083 1.959 0.800 0.893 1.000 0.905 CB 1.425 22 residues pruned to eliminate duplicates Z: 79 37.419 2.104 0.530 0.480 0.859 0.410 CB 1.564 85 residues pruned to eliminate duplicates Z: 10 9.082 1.911 0.456 0.446 0.889 0.667 CA 1.294 4 residues pruned to eliminate duplicates Z: 14 9.545 1.897 0.329 0.426 0.846 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 47 27.119 2.008 0.560 0.496 0.870 0.587 CB 1.474 47 residues pruned to eliminate duplicates Z: 19 17.963 2.107 0.539 0.607 0.889 0.444 CB 1.327 19 residues pruned to eliminate duplicates Z: 16 17.092 1.994 0.622 0.502 0.933 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 15 8.952 2.047 0.265 0.376 0.786 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 8 11.652 1.762 0.843 0.616 0.857 0.571 CB 1.418 9 residues pruned to eliminate duplicates Z: 10 16.246 2.042 0.702 0.610 1.000 0.667 CA 1.404 10 residues pruned to eliminate duplicates Z: 30 25.989 2.184 0.709 0.490 0.862 0.483 CB 1.514 30 residues pruned to eliminate duplicates Z: 6 3.777 1.734 0.125 0.520 0.800 0.600 CB 1.061 Z: 27 14.854 1.862 0.432 0.495 0.885 0.615 CB 1.242 10 residues pruned to eliminate duplicates Z: 41 18.051 1.999 0.414 0.355 0.875 0.525 CB 1.350 26 residues pruned to eliminate duplicates Z: 20 9.548 1.812 0.403 0.470 0.895 0.632 CB 0.993 19 residues pruned to eliminate duplicates Z: 18 24.574 2.071 0.432 0.924 0.941 0.588 CA 1.500 18 residues pruned to eliminate duplicates Z: 19 39.008 2.143 1.063 0.921 0.944 0.500 CB 1.550 19 residues pruned to eliminate duplicates Z: 6 9.034 1.893 0.924 0.421 0.800 0.400 N 1.506 Z: 24 17.156 1.968 0.327 0.506 0.913 0.565 CA 1.492 24 residues pruned to eliminate duplicates Z: 22 25.041 2.026 0.360 0.926 1.000 1.000 CB 1.391 22 residues pruned to eliminate duplicates Z: 15 11.291 1.872 0.584 0.461 0.857 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 13 9.433 2.001 0.353 0.405 0.750 0.667 CB 1.482 15 residues pruned to eliminate duplicates Z: 19 9.063 1.917 0.453 0.411 0.722 0.444 CB 1.166 19 residues pruned to eliminate duplicates Z: 65 40.752 2.024 0.749 0.632 0.938 0.625 CB 1.356 47 residues pruned to eliminate duplicates Z: 7 4.298 1.614 0.600 0.558 1.000 0.667 CB 0.642 Z: 16 14.527 2.077 0.340 0.449 0.933 0.867 CA 1.522 16 residues pruned to eliminate duplicates Z: 25 30.724 2.110 0.715 0.722 0.958 0.708 CA 1.480 30 residues pruned to eliminate duplicates Z: 20 9.391 1.701 0.712 0.305 0.737 0.368 CB 1.247 20 residues pruned to eliminate duplicates Z: 17 16.289 1.846 0.709 0.596 0.875 0.625 CA 1.346 23 residues pruned to eliminate duplicates Z: 35 16.406 2.051 0.406 0.349 0.794 0.382 CB 1.447 35 residues pruned to eliminate duplicates Z: 21 22.949 2.034 0.366 0.906 0.950 0.700 CB 1.383 21 residues pruned to eliminate duplicates Z: 8 14.449 1.845 0.727 0.801 1.000 0.429 CA 1.318 8 residues pruned to eliminate duplicates Z: 13 16.597 1.987 0.569 0.801 0.917 0.750 CB 1.289 13 residues pruned to eliminate duplicates Z: 23 12.838 2.029 0.453 0.339 0.818 0.500 CB 1.352 23 residues pruned to eliminate duplicates Z: 26 16.537 1.882 0.580 0.471 0.880 0.600 CB 1.301 27 residues pruned to eliminate duplicates Z: 15 7.598 2.035 0.469 0.298 0.643 0.357 CB 1.325 15 residues pruned to eliminate duplicates Z: 40 21.835 2.027 0.565 0.417 0.795 0.308 CB 1.511 40 residues pruned to eliminate duplicates Z: 6 3.959 1.552 0.628 0.662 0.800 0.800 CA 0.753 6 residues pruned to eliminate duplicates Z: 25 18.531 2.068 0.451 0.391 0.875 0.500 CB 1.617 25 residues pruned to eliminate duplicates Z: 16 13.055 2.049 0.308 0.449 0.933 0.800 CA 1.420 16 residues pruned to eliminate duplicates Z: 9 5.714 1.822 0.580 0.367 0.750 0.375 CA 1.080 10 residues pruned to eliminate duplicates Z: 21 12.245 1.775 0.576 0.459 0.850 0.650 CB 1.202 Z: 9 11.798 1.845 0.366 0.885 0.875 0.625 CA 1.366 9 residues pruned to eliminate duplicates Z: 18 16.320 1.908 0.383 0.878 0.941 0.765 CB 1.156 18 residues pruned to eliminate duplicates Z: 36 23.161 2.114 0.493 0.453 0.886 0.600 CB 1.469 36 residues pruned to eliminate duplicates Z: 7 2.029 1.921 0.206 0.321 0.667 0.500 CB 0.653 7 residues pruned to eliminate duplicates Z: 15 6.834 1.517 0.308 0.354 0.929 0.571 CB 1.161 11 residues pruned to eliminate duplicates Z: 35 19.122 2.095 0.483 0.383 0.824 0.588 CB 1.452 35 residues pruned to eliminate duplicates Z: 7 9.170 1.843 0.596 0.618 0.833 0.667 CA 1.366 7 residues pruned to eliminate duplicates Z: 6 3.607 1.189 0.337 0.778 1.000 0.800 CA 0.794 5 residues pruned to eliminate duplicates Z: 6 5.637 1.615 0.370 0.642 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 6 5.667 1.920 0.575 0.491 0.800 0.600 N 1.057 Z: 10 6.977 1.811 0.302 0.392 0.889 0.556 CB 1.244 Z: 21 34.871 2.099 0.906 0.921 1.000 0.700 CB 1.372 21 residues pruned to eliminate duplicates Z: 22 26.637 2.045 0.500 0.904 1.000 0.667 CB 1.350 22 residues pruned to eliminate duplicates Z: 7 3.948 1.673 0.208 0.299 0.833 0.333 CB 1.199 Z: 18 29.496 2.193 0.543 0.924 1.000 0.824 CB 1.485 18 residues pruned to eliminate duplicates Z: 14 8.443 1.767 0.159 0.384 0.923 0.615 CB 1.401 14 residues pruned to eliminate duplicates Z: 21 35.915 2.087 0.854 0.924 1.000 0.600 CB 1.458 21 residues pruned to eliminate duplicates Z: 17 12.919 1.880 0.540 0.515 0.938 0.688 CB 1.171 19 residues pruned to eliminate duplicates Z: 9 2.561 1.398 0.300 0.304 0.875 0.625 CB 0.708 Z: 6 5.217 1.612 0.579 0.573 1.000 0.800 CB 0.854 6 residues pruned to eliminate duplicates Z: 27 12.152 1.952 0.301 0.379 0.885 0.538 CB 1.207 27 residues pruned to eliminate duplicates Z: 14 15.518 1.950 0.585 0.527 0.923 0.769 CA 1.470 14 residues pruned to eliminate duplicates Z: 33 13.740 1.834 0.341 0.402 0.938 0.625 CB 1.168 28 residues pruned to eliminate duplicates Z: 9 8.359 1.765 0.591 0.403 0.875 0.625 CA 1.333 6 residues pruned to eliminate duplicates Z: 19 17.192 2.064 0.157 0.905 1.000 0.722 CB 1.208 19 residues pruned to eliminate duplicates Z: 20 26.274 2.044 0.789 0.938 0.947 0.421 CB 1.210 20 residues pruned to eliminate duplicates Z: 19 30.098 2.023 0.936 0.898 0.889 0.500 CA 1.457 19 residues pruned to eliminate duplicates Z: 12 6.552 2.021 0.036 0.405 0.727 0.545 CA 1.434 12 residues pruned to eliminate duplicates Z: 21 38.383 2.171 0.786 0.908 1.000 0.850 CA 1.572 21 residues pruned to eliminate duplicates Z: 19 22.636 2.031 0.538 0.926 0.889 0.778 CA 1.347 19 residues pruned to eliminate duplicates Z: 11 7.477 2.008 0.315 0.242 0.900 0.300 CB 1.340 11 residues pruned to eliminate duplicates Z: 27 14.496 1.961 0.631 0.300 0.808 0.423 CA 1.376 27 residues pruned to eliminate duplicates Z: 22 33.282 2.122 0.663 0.888 0.952 0.524 CB 1.557 22 residues pruned to eliminate duplicates Z: 39 23.474 1.982 0.385 0.548 0.921 0.711 CB 1.437 42 residues pruned to eliminate duplicates Z: 31 24.665 1.989 0.729 0.569 0.900 0.667 CA 1.361 32 residues pruned to eliminate duplicates Z: 11 7.710 1.764 0.770 0.416 0.700 0.400 N 1.218 9 residues pruned to eliminate duplicates Z: 34 20.185 2.022 0.555 0.418 0.818 0.485 CB 1.488 34 residues pruned to eliminate duplicates Z: 22 15.010 1.847 0.461 0.465 0.905 0.667 CB 1.390 Z: 6 6.570 1.803 0.870 0.764 1.000 0.800 CB 0.689 Z: 16 23.239 2.050 0.721 0.855 0.867 0.533 CA 1.448 16 residues pruned to eliminate duplicates Z: 13 14.302 1.970 0.481 0.513 1.000 0.750 CB 1.396 13 residues pruned to eliminate duplicates Z: 23 16.037 2.008 0.398 0.547 0.909 0.636 CB 1.280 23 residues pruned to eliminate duplicates Z: 64 40.992 2.031 0.834 0.588 0.937 0.476 CB 1.361 63 residues pruned to eliminate duplicates Z: 81 46.916 2.116 0.634 0.602 0.913 0.675 CA 1.509 81 residues pruned to eliminate duplicates Z: 7 6.887 1.612 0.580 0.559 1.000 0.667 N 1.042 5 residues pruned to eliminate duplicates Z: 12 5.548 1.794 0.169 0.376 0.727 0.545 CB 1.252 12 residues pruned to eliminate duplicates Z: 15 9.110 1.919 0.330 0.368 0.714 0.500 CA 1.539 15 residues pruned to eliminate duplicates Z: 15 24.389 2.063 0.760 0.882 1.000 0.643 CA 1.299 15 residues pruned to eliminate duplicates Z: 23 18.343 2.012 0.813 0.341 0.909 0.545 CB 1.403 23 residues pruned to eliminate duplicates Z: 13 10.587 1.837 0.370 0.517 0.917 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 15 11.434 2.063 0.290 0.439 0.857 0.500 CB 1.426 15 residues pruned to eliminate duplicates Z: 12 10.251 1.767 0.683 0.440 1.000 0.545 CB 1.106 Z: 33 17.773 2.115 0.427 0.354 0.812 0.500 CB 1.501 33 residues pruned to eliminate duplicates Z: 8 5.820 1.759 0.270 0.832 0.714 0.571 CA 1.035 8 residues pruned to eliminate duplicates Z: 29 14.953 1.899 0.411 0.443 0.929 0.643 CB 1.204 32 residues pruned to eliminate duplicates Z: 22 40.443 2.110 1.005 0.878 0.952 0.524 CB 1.590 22 residues pruned to eliminate duplicates Z: 8 6.099 1.697 -0.098 0.729 0.857 0.714 O 1.429 6 0.922 1.240 0.632 0.100 0.600 0.200 CB 0.566 ? Z: 11 6.368 1.812 0.136 0.368 0.800 0.400 CB 1.408 11 residues pruned to eliminate duplicates Z: 21 31.662 2.069 0.779 0.919 1.000 0.850 CB 1.356 21 residues pruned to eliminate duplicates Z: 18 7.676 1.753 0.090 0.367 0.941 0.471 CB 1.195 18 residues pruned to eliminate duplicates Z: 14 13.917 1.882 0.712 0.443 1.000 0.538 CB 1.271 14 residues pruned to eliminate duplicates Z: 31 24.397 2.148 0.684 0.425 0.867 0.600 CB 1.537 31 residues pruned to eliminate duplicates Z: 9 13.407 2.028 0.433 0.880 0.750 0.500 CA 1.577 9 residues pruned to eliminate duplicates Z: 9 4.271 1.662 -0.206 0.436 1.000 0.500 N 1.223 Z: 13 7.151 1.600 0.203 0.609 0.833 0.500 CB 1.160 13 residues pruned to eliminate duplicates Z: 12 10.195 1.868 0.333 0.646 0.818 0.364 CB 1.317 12 residues pruned to eliminate duplicates Z: 91 43.504 2.038 0.581 0.560 0.911 0.578 CB 1.474 93 residues pruned to eliminate duplicates Z: 7 6.793 1.691 0.232 0.453 1.000 0.667 C 1.396 Z: 18 12.802 1.927 0.441 0.511 0.941 0.412 CB 1.175 18 residues pruned to eliminate duplicates Z: 15 9.384 1.799 0.271 0.538 0.929 0.643 CA 1.139 15 residues pruned to eliminate duplicates Z: 14 6.431 1.659 0.198 0.417 0.846 0.538 CB 1.157 14 residues pruned to eliminate duplicates Z: 29 11.458 1.873 0.231 0.413 0.893 0.679 CB 1.152 29 residues pruned to eliminate duplicates Z: 6 3.668 1.474 1.041 0.456 0.800 0.600 N 0.713 6 residues pruned to eliminate duplicates Z: 29 14.800 1.951 0.488 0.339 0.857 0.464 CB 1.340 29 residues pruned to eliminate duplicates Z: 11 10.580 1.972 0.279 0.881 1.000 0.400 CB 0.961 11 residues pruned to eliminate duplicates Z: 19 11.976 1.933 0.533 0.287 0.889 0.444 CB 1.362 19 residues pruned to eliminate duplicates Z: 17 11.708 1.781 0.623 0.414 0.875 0.625 CB 1.266 17 residues pruned to eliminate duplicates Z: 20 19.641 2.080 0.576 0.541 0.895 0.526 CB 1.477 20 residues pruned to eliminate duplicates Z: 7 2.877 1.602 -0.215 0.607 0.833 0.667 CB 1.013 Z: 8 11.653 1.984 0.784 0.576 0.857 0.857 CB 1.350 8 residues pruned to eliminate duplicates Z: 22 30.699 1.925 0.743 0.881 1.000 0.667 CB 1.446 22 residues pruned to eliminate duplicates Z: 14 16.858 2.027 0.360 0.880 1.000 0.385 CB 1.229 14 residues pruned to eliminate duplicates Z: 17 22.158 2.016 0.671 0.902 0.812 0.375 CA 1.443 17 residues pruned to eliminate duplicates Z: 22 22.510 2.011 0.289 0.922 1.000 0.857 CB 1.332 22 residues pruned to eliminate duplicates Z: 19 31.287 2.050 0.848 0.888 1.000 0.611 CA 1.402 19 residues pruned to eliminate duplicates Z: 18 29.662 2.112 0.633 0.932 1.000 0.647 CA 1.456 18 residues pruned to eliminate duplicates Z: 14 14.382 1.834 0.640 0.606 0.923 0.769 CA 1.299 14 residues pruned to eliminate duplicates Z: 9 2.656 1.528 0.312 0.194 0.625 0.250 CB 1.080 9 residues pruned to eliminate duplicates Z: 37 17.882 1.963 0.451 0.376 0.833 0.583 CB 1.435 51 residues pruned to eliminate duplicates Z: 10 11.727 1.940 0.157 0.910 1.000 0.778 CA 1.236 10 residues pruned to eliminate duplicates Z: 10 13.873 2.034 0.568 0.827 1.000 0.778 CB 1.093 10 residues pruned to eliminate duplicates Z: 37 26.615 2.021 0.415 0.627 0.944 0.722 CA 1.458 37 residues pruned to eliminate duplicates Z: 22 39.352 2.176 0.788 0.920 1.000 0.762 CB 1.554 22 residues pruned to eliminate duplicates Z: 11 5.431 1.798 0.384 0.372 0.900 0.400 CA 0.880 11 residues pruned to eliminate duplicates Z: 17 10.298 1.698 0.352 0.440 0.875 0.500 CA 1.364 Z: 6 6.586 1.382 0.538 0.757 1.000 0.800 CA 1.102 6 residues pruned to eliminate duplicates Z: 21 31.635 2.057 0.754 0.938 1.000 0.750 CB 1.364 21 residues pruned to eliminate duplicates Z: 10 10.806 1.713 0.481 0.866 1.000 0.556 CA 1.039 10 residues pruned to eliminate duplicates Z: 10 10.618 2.044 0.951 0.625 0.889 0.667 CA 0.887 9 residues pruned to eliminate duplicates Z: 24 12.692 1.834 0.577 0.485 0.870 0.696 CB 1.068 24 residues pruned to eliminate duplicates Z: 8 4.327 1.644 0.418 0.327 0.714 0.714 CB 1.188 Z: 16 9.863 1.846 0.571 0.342 0.800 0.467 CB 1.304 16 residues pruned to eliminate duplicates Z: 7 4.199 1.334 0.379 0.515 0.833 0.500 CA 1.101 Z: 16 11.102 1.945 0.270 0.435 1.000 0.533 CB 1.240 16 residues pruned to eliminate duplicates Z: 20 11.303 1.888 0.410 0.334 0.737 0.526 CA 1.585 20 residues pruned to eliminate duplicates Z: 9 12.197 1.892 0.600 0.738 0.875 0.875 CA 1.315 9 residues pruned to eliminate duplicates Z: 20 19.492 2.049 0.255 0.935 0.947 0.842 CB 1.280 20 residues pruned to eliminate duplicates Z: 15 9.538 1.791 0.762 0.329 0.786 0.643 CB 1.241 Z: 7 6.604 2.137 0.746 0.521 0.833 0.167 CB 0.849 7 residues pruned to eliminate duplicates Z: 19 16.199 2.016 0.322 0.569 0.944 0.667 CA 1.419 19 residues pruned to eliminate duplicates Z: 18 15.108 2.040 0.706 0.411 0.882 0.471 CB 1.309 18 residues pruned to eliminate duplicates Z: 10 9.006 1.810 0.452 0.365 0.889 0.333 CB 1.485 9 residues pruned to eliminate duplicates Z: 13 8.203 1.828 0.635 0.468 0.833 0.583 CB 0.982 13 residues pruned to eliminate duplicates Z: 14 4.847 1.575 0.121 0.415 0.769 0.385 CB 1.082 Z: 14 10.349 1.887 0.530 0.376 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 6 2.845 1.614 0.018 0.460 0.800 0.600 CA 1.009 6 residues pruned to eliminate duplicates Z: 40 23.373 2.048 0.611 0.469 0.897 0.513 CB 1.304 40 residues pruned to eliminate duplicates Z: 36 26.430 2.086 0.605 0.497 0.886 0.543 CB 1.511 36 residues pruned to eliminate duplicates Z: 6 3.814 1.410 0.129 0.755 1.000 0.800 C 0.854 Z: 21 26.934 2.014 0.528 0.876 0.950 0.400 CB 1.497 21 residues pruned to eliminate duplicates Z: 16 8.125 1.812 0.418 0.368 0.800 0.667 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 11.872 1.876 0.244 0.831 1.000 0.727 CA 1.153 12 residues pruned to eliminate duplicates Z: 13 7.812 1.841 0.272 0.366 0.833 0.500 N 1.335 10 residues pruned to eliminate duplicates Z: 6 6.399 1.779 0.467 0.692 0.800 0.600 CB 1.150 6 residues pruned to eliminate duplicates Z: 26 17.330 2.113 0.514 0.325 0.880 0.600 CB 1.493 26 residues pruned to eliminate duplicates Z: 7 8.920 2.008 0.933 0.547 0.833 0.833 CB 1.075 6 residues pruned to eliminate duplicates Z: 19 25.120 1.890 0.909 0.723 1.000 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 38 26.724 2.018 0.383 0.581 0.973 0.568 CA 1.497 38 residues pruned to eliminate duplicates Z: 11 5.855 1.654 0.243 0.467 0.800 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 7 6.589 1.774 0.324 0.477 1.000 0.833 CB 1.172 7 residues pruned to eliminate duplicates Z: 26 22.662 2.060 0.405 0.528 0.960 0.760 CB 1.587 27 residues pruned to eliminate duplicates Z: 65 39.927 2.019 0.654 0.641 0.922 0.562 CB 1.421 65 residues pruned to eliminate duplicates Z: 14 14.182 2.074 0.814 0.386 0.846 0.385 CA 1.395 15 residues pruned to eliminate duplicates Z: 38 17.962 2.055 0.462 0.328 0.838 0.486 CB 1.418 38 residues pruned to eliminate duplicates Z: 34 14.677 2.082 0.378 0.343 0.788 0.545 CB 1.342 34 residues pruned to eliminate duplicates Z: 20 17.323 2.046 0.049 0.930 1.000 0.895 CB 1.295 20 residues pruned to eliminate duplicates Z: 11 4.994 1.658 0.558 0.295 1.000 0.400 CA 0.769 11 residues pruned to eliminate duplicates Z: 21 28.499 2.061 0.557 0.929 1.000 0.800 CB 1.390 21 residues pruned to eliminate duplicates Z: 13 11.952 1.969 0.754 0.429 0.833 0.417 CB 1.291 13 residues pruned to eliminate duplicates Z: 7 6.175 1.789 0.394 0.723 1.000 0.833 CB 0.826 7 residues pruned to eliminate duplicates Z: 17 14.650 1.951 0.676 0.378 0.938 0.562 CB 1.362 17 residues pruned to eliminate duplicates Z: 11 5.203 1.811 0.206 0.363 0.700 0.300 CB 1.248 11 residues pruned to eliminate duplicates Z: 6 5.931 1.749 0.311 0.713 1.000 0.600 CB 0.954 6 residues pruned to eliminate duplicates Z: 21 38.216 2.183 0.860 0.917 1.000 0.850 CB 1.484 21 residues pruned to eliminate duplicates Z: 21 11.572 1.956 0.353 0.362 0.800 0.550 CA 1.419 21 residues pruned to eliminate duplicates Z: 10 10.850 1.654 0.473 0.839 1.000 0.778 CA 1.109 10 residues pruned to eliminate duplicates Z: 10 2.846 1.516 0.131 0.285 0.667 0.556 CA 1.057 5 residues pruned to eliminate duplicates Z: 10 9.906 1.895 0.661 0.656 1.000 0.889 CB 0.908 10 residues pruned to eliminate duplicates Z: 21 9.759 1.871 0.184 0.352 0.950 0.350 CA 1.217 23 residues pruned to eliminate duplicates Z: 10 4.715 1.945 0.596 0.267 0.667 0.444 CB 0.990 10 residues pruned to eliminate duplicates Z: 7 2.801 1.578 -0.006 0.716 0.833 0.833 CB 0.719 Z: 7 11.128 1.802 0.524 0.711 1.000 0.833 CA 1.365 7 residues pruned to eliminate duplicates Z: 9 3.578 1.523 0.225 0.320 0.875 0.375 CA 0.945 Z: 11 6.377 1.845 0.275 0.383 0.700 0.600 CB 1.386 11 residues pruned to eliminate duplicates Z: 15 14.633 2.035 0.360 0.514 1.000 0.714 CA 1.393 15 residues pruned to eliminate duplicates Z: 15 6.745 1.752 0.443 0.297 0.786 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 8 11.299 1.886 0.691 0.573 1.000 0.714 CB 1.248 7 residues pruned to eliminate duplicates Z: 18 10.184 1.917 0.639 0.393 0.765 0.529 CB 1.151 18 residues pruned to eliminate duplicates Z: 6 3.310 1.534 0.072 0.404 0.800 0.400 N 1.245 Z: 12 7.605 1.698 0.227 0.488 0.909 0.818 CB 1.225 12 residues pruned to eliminate duplicates Z: 10 7.831 2.023 0.337 0.391 0.778 0.444 CB 1.392 10 residues pruned to eliminate duplicates Z: 30 29.139 2.138 0.474 0.732 0.931 0.828 CA 1.497 30 residues pruned to eliminate duplicates Z: 12 8.817 1.906 0.266 0.539 0.909 0.545 CB 1.167 12 residues pruned to eliminate duplicates Z: 21 27.110 2.027 0.652 0.927 1.000 0.650 CB 1.268 21 residues pruned to eliminate duplicates Z: 16 10.219 1.816 0.708 0.315 0.867 0.333 CB 1.205 16 residues pruned to eliminate duplicates Z: 10 17.572 2.058 0.816 0.869 1.000 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 14 6.666 1.656 0.567 0.332 0.769 0.615 CB 1.113 14 residues pruned to eliminate duplicates Z: 18 35.015 2.188 0.918 0.879 0.941 0.706 CB 1.559 18 residues pruned to eliminate duplicates Z: 7 6.581 1.960 0.507 0.402 0.667 0.667 CB 1.512 Z: 52 45.281 2.149 0.750 0.669 0.980 0.627 CB 1.472 52 residues pruned to eliminate duplicates Z: 6 2.918 1.941 -0.221 0.616 0.800 0.600 CB 0.966 5 residues pruned to eliminate duplicates Z: 9 12.112 1.933 0.307 0.889 1.000 0.875 CA 1.220 9 residues pruned to eliminate duplicates Z: 40 21.555 1.945 0.263 0.479 0.949 0.590 CB 1.513 40 residues pruned to eliminate duplicates Z: 22 21.596 2.069 0.372 0.830 0.905 0.667 CB 1.380 22 residues pruned to eliminate duplicates Z: 20 11.126 1.737 0.467 0.341 0.947 0.474 CB 1.258 20 residues pruned to eliminate duplicates Z: 12 10.442 1.841 0.476 0.792 1.000 0.545 CB 0.897 12 residues pruned to eliminate duplicates Z: 6 10.089 1.930 0.324 0.842 1.000 1.000 CA 1.316 Z: 33 12.905 1.799 0.295 0.435 0.906 0.656 CB 1.155 33 residues pruned to eliminate duplicates Z: 10 3.084 1.465 0.255 0.166 0.778 0.333 CB 1.080 Z: 8 6.379 1.331 0.635 0.797 1.000 0.571 CB 0.854 8 residues pruned to eliminate duplicates Z: 6 3.545 1.767 0.509 0.382 0.600 0.400 N 1.124 6 residues pruned to eliminate duplicates Z: 22 17.658 2.095 0.831 0.344 0.810 0.571 CB 1.469 22 residues pruned to eliminate duplicates Z: 9 7.757 1.823 0.563 0.396 0.875 0.375 CA 1.228 5 residues pruned to eliminate duplicates Z: 8 7.461 1.891 0.374 0.614 0.714 0.571 CB 1.364 13 residues pruned to eliminate duplicates Z: 7 12.224 2.128 0.612 0.700 1.000 1.000 CA 1.212 7 residues pruned to eliminate duplicates Z: 9 8.577 1.902 0.350 0.652 1.000 0.625 CB 1.025 9 residues pruned to eliminate duplicates Z: 9 4.753 1.767 -0.081 0.565 0.750 0.500 CA 1.295 9 residues pruned to eliminate duplicates Z: 25 12.663 1.809 0.601 0.389 0.875 0.583 CB 1.147 24 residues pruned to eliminate duplicates Z: 39 16.048 1.880 0.372 0.438 0.895 0.632 CB 1.203 46 residues pruned to eliminate duplicates Z: 51 33.229 2.000 0.692 0.627 0.900 0.560 CA 1.368 51 residues pruned to eliminate duplicates Z: 8 6.061 1.653 -0.046 0.553 1.000 0.286 CA 1.379 5 residues pruned to eliminate duplicates Z: 8 13.924 1.894 0.443 0.817 1.000 0.714 CA 1.462 8 residues pruned to eliminate duplicates Z: 6 5.240 1.784 -0.006 0.597 0.800 0.400 O 1.506 6 residues pruned to eliminate duplicates Z: 12 12.547 1.872 0.428 0.569 1.000 0.818 CA 1.323 12 residues pruned to eliminate duplicates Z: 21 12.285 1.944 0.309 0.373 0.950 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 29 24.858 1.924 0.530 0.713 0.929 0.714 CB 1.416 50 residues pruned to eliminate duplicates Z: 9 3.851 1.552 0.227 0.291 1.000 0.375 CB 0.904 9 residues pruned to eliminate duplicates Z: 17 9.119 1.757 0.463 0.334 0.875 0.500 CB 1.216 Z: 20 15.424 1.915 0.550 0.412 0.947 0.579 CB 1.380 20 residues pruned to eliminate duplicates Z: 18 18.338 1.899 0.625 0.582 0.941 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 19 31.725 2.012 0.764 0.861 0.944 0.444 CA 1.640 19 residues pruned to eliminate duplicates Z: 9 7.008 1.842 0.315 0.506 0.750 0.500 CA 1.356 9 residues pruned to eliminate duplicates Z: 12 3.728 1.510 0.345 0.216 0.727 0.273 N 1.063 Z: 32 25.918 2.188 0.638 0.434 0.935 0.548 CB 1.486 32 residues pruned to eliminate duplicates Z: 9 7.554 1.522 0.541 0.867 1.000 0.750 CA 0.833 9 residues pruned to eliminate duplicates Z: 17 13.376 1.993 0.286 0.506 0.875 0.625 CB 1.483 17 residues pruned to eliminate duplicates Z: 19 13.033 1.881 0.432 0.514 0.889 0.667 CA 1.266 23 residues pruned to eliminate duplicates Z: 13 8.404 1.777 0.148 0.448 0.917 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 6 9.213 1.715 0.618 0.810 1.000 0.600 CA 1.134 6 residues pruned to eliminate duplicates Z: 6 4.339 1.290 0.507 0.610 1.000 0.600 N 0.899 Z: 35 14.782 2.000 0.374 0.336 0.824 0.471 CB 1.341 35 residues pruned to eliminate duplicates Z: 7 3.175 1.594 0.221 0.412 0.667 0.333 C 1.096 Z: 19 21.725 2.074 0.371 0.853 0.944 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 8 6.977 1.719 0.480 0.391 0.857 0.286 CA 1.357 8 residues pruned to eliminate duplicates Z: 13 7.404 1.631 0.184 0.495 0.917 0.417 CB 1.213 10 residues pruned to eliminate duplicates Z: 7 3.376 1.351 0.209 0.478 0.833 0.667 C 1.036 Z: 7 2.735 1.615 0.082 0.377 0.667 0.333 CB 1.093 Z: 10 7.870 1.926 0.499 0.425 0.778 0.667 CA 1.263 10 residues pruned to eliminate duplicates Z: 22 12.063 1.855 0.319 0.364 0.952 0.667 CB 1.308 22 residues pruned to eliminate duplicates Z: 11 13.332 1.855 0.312 0.886 1.000 1.000 CB 1.250 11 residues pruned to eliminate duplicates 6 1.209 1.406 0.171 0.333 0.800 0.400 CA 0.493 ? Z: 18 24.975 2.125 0.451 0.901 1.000 0.765 CB 1.403 18 residues pruned to eliminate duplicates Z: 7 2.506 1.396 0.116 0.403 0.833 0.667 CB 0.873 Z: 6 3.796 1.550 0.171 0.520 0.800 0.600 O 1.146 Z: 25 12.834 2.028 0.575 0.357 0.708 0.500 CB 1.351 25 residues pruned to eliminate duplicates Z: 46 25.424 2.009 0.473 0.552 0.911 0.533 CA 1.337 46 residues pruned to eliminate duplicates Z: 9 3.841 1.486 0.880 0.374 0.625 0.625 CB 0.890 Z: 6 3.164 1.356 0.325 0.653 0.800 0.600 CB 0.854 6 residues pruned to eliminate duplicates Z: 9 10.441 1.846 0.475 0.877 1.000 0.875 CA 0.985 9 residues pruned to eliminate duplicates Z: 16 11.418 1.863 0.483 0.429 1.000 0.600 CB 1.148 16 residues pruned to eliminate duplicates Z: 6 2.217 1.486 -0.126 0.627 1.000 0.800 CB 0.677 Z: 7 2.654 1.486 -0.135 0.239 1.000 0.500 CA 1.141 Z: 6 7.496 1.469 0.905 0.542 1.000 0.600 CA 1.151 Z: 16 8.978 1.756 0.405 0.402 0.867 0.467 CB 1.201 16 residues pruned to eliminate duplicates Z: 7 2.862 1.293 1.107 0.302 0.667 0.333 CB 0.802 Z: 34 21.638 2.031 0.475 0.508 0.939 0.697 CB 1.329 36 residues pruned to eliminate duplicates Z: 6 2.185 1.472 0.424 0.510 0.800 0.600 CB 0.577 Z: 13 10.915 1.690 0.562 0.629 0.917 0.833 CA 1.153 13 residues pruned to eliminate duplicates Z: 37 29.590 2.020 0.487 0.537 1.000 0.778 CB 1.582 37 residues pruned to eliminate duplicates Z: 6 4.187 1.816 0.164 0.488 0.600 0.600 C 1.494 Z: 7 2.524 1.416 0.320 0.360 0.667 0.500 CB 0.962 Z: 6 7.315 1.563 0.559 0.795 1.000 0.600 CA 1.037 6 residues pruned to eliminate duplicates Z: 6 4.671 1.801 0.592 0.382 0.800 0.400 CB 1.033 6 residues pruned to eliminate duplicates Z: 6 7.213 1.881 0.518 0.625 0.800 0.600 CB 1.255 6 residues pruned to eliminate duplicates Z: 13 9.389 1.914 0.616 0.408 0.750 0.417 CA 1.287 13 residues pruned to eliminate duplicates Z: 36 21.160 1.973 0.474 0.484 0.971 0.629 CB 1.287 42 residues pruned to eliminate duplicates Z: 8 2.652 1.321 0.257 0.535 0.714 0.286 CB 0.817 Z: 25 13.195 1.915 0.453 0.368 0.875 0.417 CB 1.274 19 residues pruned to eliminate duplicates Z: 16 8.147 1.687 0.197 0.519 0.867 0.600 CA 1.179 16 residues pruned to eliminate duplicates Z: 7 3.512 1.544 0.634 0.248 0.667 0.500 CB 1.140 Z: 31 33.819 2.133 0.698 0.740 1.000 0.833 CA 1.375 31 residues pruned to eliminate duplicates Z: 12 11.902 1.876 0.604 0.434 0.909 0.545 CA 1.404 10 residues pruned to eliminate duplicates Z: 6 5.673 1.570 0.637 0.540 0.800 0.800 CA 1.186 Z: 6 2.619 1.421 0.356 0.292 0.800 0.400 CB 0.960 Z: 25 18.305 2.090 0.445 0.359 0.917 0.542 CB 1.572 25 residues pruned to eliminate duplicates Z: 13 8.516 1.825 0.859 0.390 0.667 0.500 CB 1.222 13 residues pruned to eliminate duplicates Z: 12 6.059 1.842 0.064 0.332 0.818 0.273 CB 1.369 12 residues pruned to eliminate duplicates Z: 15 14.455 1.994 0.615 0.456 0.857 0.714 CB 1.464 15 residues pruned to eliminate duplicates Z: 11 14.644 1.984 0.412 0.774 0.900 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 7 5.209 1.593 0.079 0.689 0.833 0.500 CA 1.248 Z: 16 12.538 1.906 0.568 0.360 0.933 0.667 CB 1.350 16 residues pruned to eliminate duplicates Z: 7 3.697 1.774 0.273 0.677 0.833 0.667 CB 0.682 7 residues pruned to eliminate duplicates Z: 6 6.230 2.014 0.367 0.278 0.800 0.400 C 1.625 6 residues pruned to eliminate duplicates Z: 11 9.348 1.900 0.367 0.435 0.900 0.600 CA 1.352 11 residues pruned to eliminate duplicates Z: 11 4.207 1.723 0.603 0.134 0.700 0.400 CA 1.086 18 residues pruned to eliminate duplicates Z: 9 9.185 1.834 -0.024 0.847 0.875 0.750 CB 1.540 9 residues pruned to eliminate duplicates Z: 23 14.567 1.906 0.506 0.440 0.909 0.591 CB 1.267 23 residues pruned to eliminate duplicates Z: 6 3.908 1.733 0.245 0.384 1.000 0.400 CA 0.916 8 residues pruned to eliminate duplicates 7 1.287 1.489 -0.331 0.346 1.000 0.667 CB 0.623 ? Z: 23 16.902 2.046 0.279 0.535 1.000 0.773 CB 1.330 24 residues pruned to eliminate duplicates Z: 16 9.750 1.665 0.698 0.497 0.733 0.467 CB 1.218 4 residues pruned to eliminate duplicates Z: 6 4.058 1.779 -0.121 0.432 1.000 1.000 CA 1.246 6 residues pruned to eliminate duplicates Z: 7 2.940 1.581 0.291 0.578 0.833 0.500 CB 0.655 Z: 16 18.442 2.034 0.503 0.645 1.000 0.533 CB 1.360 17 residues pruned to eliminate duplicates Z: 8 13.884 1.812 1.022 0.617 1.000 0.714 CA 1.282 10 residues pruned to eliminate duplicates Z: 75 41.339 2.099 0.626 0.558 0.892 0.622 CA 1.491 75 residues pruned to eliminate duplicates Z: 16 21.821 1.985 0.722 0.865 0.867 0.600 CB 1.394 16 residues pruned to eliminate duplicates Z: 8 3.291 1.264 0.454 0.476 0.714 0.286 C 0.970 Z: 22 24.361 1.873 0.746 0.864 0.857 0.429 CA 1.391 22 residues pruned to eliminate duplicates Z: 25 32.347 2.086 1.064 0.708 0.875 0.542 CB 1.451 25 residues pruned to eliminate duplicates Z: 7 6.829 1.797 0.479 0.572 1.000 0.833 CA 0.979 6 residues pruned to eliminate duplicates Z: 35 17.420 1.957 0.390 0.474 0.941 0.500 CB 1.198 35 residues pruned to eliminate duplicates Z: 28 15.158 1.910 0.448 0.398 0.815 0.556 CB 1.442 28 residues pruned to eliminate duplicates Z: 10 18.110 1.743 0.954 0.926 1.000 0.333 CA 1.243 10 residues pruned to eliminate duplicates Z: 10 3.978 1.819 0.172 0.215 0.778 0.556 CB 1.118 Z: 19 8.715 1.666 0.217 0.564 0.944 0.667 CB 1.008 19 residues pruned to eliminate duplicates 6 1.908 1.112 0.434 0.530 1.000 0.400 N 0.519 ? Z: 65 41.814 2.140 0.634 0.617 0.938 0.641 CB 1.428 65 residues pruned to eliminate duplicates Z: 6 4.832 1.820 0.008 0.485 1.000 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 10 13.574 1.923 0.751 0.500 1.000 0.778 CA 1.344 10 residues pruned to eliminate duplicates Z: 8 2.747 1.470 0.544 0.348 0.857 0.429 CB 0.629 8 residues pruned to eliminate duplicates Z: 39 27.863 2.035 0.593 0.521 0.947 0.711 CB 1.442 39 residues pruned to eliminate duplicates Z: 6 2.175 1.466 0.197 0.378 0.800 0.600 N 0.789 Z: 10 4.045 1.716 0.009 0.358 0.778 0.444 CA 1.166 10 residues pruned to eliminate duplicates Z: 13 5.698 1.343 0.616 0.389 0.833 0.500 CB 1.023 Z: 6 4.789 1.407 0.677 0.640 0.800 0.400 CA 0.995 Z: 14 10.248 1.915 0.355 0.437 0.923 0.538 CB 1.266 14 residues pruned to eliminate duplicates Z: 11 4.092 1.558 0.144 0.561 0.800 0.600 CB 0.855 11 residues pruned to eliminate duplicates Z: 24 14.090 1.772 0.539 0.484 0.913 0.609 CB 1.199 23 residues pruned to eliminate duplicates Z: 9 12.122 1.737 0.671 0.874 1.000 0.875 CA 1.074 9 residues pruned to eliminate duplicates Z: 6 2.346 1.346 0.584 0.480 0.800 0.400 CB 0.628 Z: 8 3.611 1.519 0.236 0.268 0.857 0.857 CB 1.105 Z: 9 4.746 1.751 0.047 0.235 1.000 0.500 CA 1.245 9 residues pruned to eliminate duplicates Z: 8 6.233 1.732 0.409 0.708 0.857 0.714 CB 0.932 8 residues pruned to eliminate duplicates Z: 9 7.411 1.620 0.285 0.545 0.875 0.625 C 1.377 Z: 18 9.623 1.622 0.622 0.401 0.824 0.412 CB 1.195 10 residues pruned to eliminate duplicates Z: 6 4.873 1.715 0.128 0.613 1.000 0.600 CA 1.013 6 residues pruned to eliminate duplicates Z: 15 7.123 1.788 0.377 0.454 0.714 0.429 CB 1.135 15 residues pruned to eliminate duplicates Z: 31 14.940 1.932 0.484 0.337 0.867 0.433 CB 1.312 31 residues pruned to eliminate duplicates Z: 14 11.623 1.807 0.716 0.416 0.846 0.462 CB 1.342 14 residues pruned to eliminate duplicates Z: 7 8.614 1.736 0.882 0.554 0.833 0.667 CB 1.225 7 residues pruned to eliminate duplicates Z: 12 10.193 1.934 0.590 0.432 0.818 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 26 12.944 1.924 0.280 0.445 0.840 0.600 CB 1.324 26 residues pruned to eliminate duplicates Z: 23 25.914 2.128 0.561 0.656 0.955 0.591 CA 1.507 23 residues pruned to eliminate duplicates Z: 6 2.737 1.606 0.532 0.619 1.000 0.600 CB 0.444 Z: 9 7.606 1.892 0.393 0.421 0.875 0.500 CA 1.266 9 residues pruned to eliminate duplicates Z: 8 3.157 1.423 0.245 0.384 0.857 0.429 C 0.889 Z: 8 2.603 1.242 1.006 0.296 0.571 0.429 N 0.869 Z: 15 10.694 1.896 0.430 0.425 1.000 0.643 CB 1.140 15 residues pruned to eliminate duplicates Z: 7 2.778 1.675 0.373 0.427 0.667 0.500 CB 0.798 7 residues pruned to eliminate duplicates Z: 28 21.866 2.185 0.712 0.383 0.778 0.370 CA 1.637 28 residues pruned to eliminate duplicates Z: 29 13.851 1.860 0.368 0.346 0.929 0.500 CB 1.310 29 residues pruned to eliminate duplicates Z: 6 5.012 1.379 0.761 0.541 1.000 0.600 N 0.886 Z: 20 15.381 2.045 0.379 0.516 0.842 0.526 CB 1.463 20 residues pruned to eliminate duplicates 6 1.112 1.291 0.281 0.454 0.800 0.400 CB 0.394 ? Z: 13 4.102 1.357 0.344 0.315 0.833 0.417 CB 0.956 Z: 18 12.272 2.100 0.385 0.354 0.882 0.588 CB 1.359 18 residues pruned to eliminate duplicates Z: 23 19.448 1.969 0.848 0.395 0.909 0.591 CA 1.400 23 residues pruned to eliminate duplicates Z: 11 7.596 1.961 0.664 0.516 0.700 0.400 CB 1.035 11 residues pruned to eliminate duplicates Z: 22 6.105 1.825 0.233 0.180 0.762 0.286 CB 1.143 13 residues pruned to eliminate duplicates Z: 6 3.104 1.612 -0.081 0.413 1.000 0.600 CB 1.027 Z: 13 17.701 1.844 0.759 0.866 1.000 0.583 CB 1.153 13 residues pruned to eliminate duplicates Z: 12 9.674 1.717 0.655 0.575 0.818 0.727 CA 1.168 12 residues pruned to eliminate duplicates Z: 6 2.092 1.602 -0.144 0.454 1.000 0.800 CB 0.716 Z: 18 12.787 2.067 0.543 0.277 0.824 0.353 CB 1.519 18 residues pruned to eliminate duplicates Z: 20 13.825 1.838 0.941 0.368 0.842 0.579 CA 1.216 20 residues pruned to eliminate duplicates Z: 9 11.843 1.789 0.554 0.833 0.875 0.625 CB 1.292 9 residues pruned to eliminate duplicates Z: 41 19.215 1.982 0.489 0.353 0.850 0.425 CB 1.421 41 residues pruned to eliminate duplicates 7 1.523 1.205 0.509 0.249 0.500 0.500 CA 0.912 ? Z: 36 17.337 1.923 0.296 0.445 0.914 0.543 CA 1.361 36 residues pruned to eliminate duplicates Z: 9 3.462 1.537 0.424 0.354 0.875 0.750 CB 0.749 5 residues pruned to eliminate duplicates 6 0.645 1.068 0.463 0.299 0.400 0.400 N 0.578 ? Z: 7 2.302 1.556 0.010 0.408 0.833 0.833 CB 0.790 Z: 8 10.358 1.793 0.692 0.762 0.714 0.286 C 1.432 8 residues pruned to eliminate duplicates Z: 28 17.691 1.953 0.639 0.312 0.815 0.519 N 1.609 28 residues pruned to eliminate duplicates Z: 7 2.617 1.674 -0.117 0.457 0.667 0.333 CB 1.133 7 residues pruned to eliminate duplicates Z: 8 6.439 1.687 0.519 0.485 0.857 0.286 CB 1.125 8 residues pruned to eliminate duplicates Z: 10 8.542 2.062 0.628 0.192 0.889 0.556 CA 1.380 10 residues pruned to eliminate duplicates Z: 8 7.310 2.037 0.076 0.495 1.000 0.143 CA 1.267 8 residues pruned to eliminate duplicates Z: 6 4.391 1.627 0.360 0.714 0.800 0.200 CA 0.913 6 residues pruned to eliminate duplicates Z: 7 3.361 1.754 0.376 0.346 0.667 0.500 CB 1.009 7 residues pruned to eliminate duplicates 6 1.588 1.143 0.303 0.411 0.600 0.400 N 0.873 ? Z: 25 8.289 1.767 0.218 0.390 0.833 0.625 CB 1.060 25 residues pruned to eliminate duplicates Z: 7 7.844 1.625 0.929 0.590 0.833 0.667 CB 1.124 6 residues pruned to eliminate duplicates Z: 9 4.603 1.396 0.344 0.566 1.000 0.625 CB 0.814 Z: 13 6.120 1.710 0.701 0.489 0.833 0.583 CB 0.737 Z: 10 6.149 1.733 0.766 0.523 0.667 0.556 CB 0.982 10 residues pruned to eliminate duplicates Z: 13 8.817 1.647 0.395 0.494 0.917 0.500 CA 1.216 18 residues pruned to eliminate duplicates Z: 9 12.977 1.844 0.298 0.906 1.000 0.875 CA 1.363 9 residues pruned to eliminate duplicates Z: 6 3.003 1.371 0.429 0.300 0.800 0.400 C 1.072 Z: 10 3.033 1.408 0.203 0.401 0.778 0.444 CB 0.852 10 residues pruned to eliminate duplicates Z: 10 6.806 1.544 0.406 0.343 1.000 0.556 N 1.240 10 residues pruned to eliminate duplicates 6 0.376 1.255 0.365 0.257 0.400 0.200 CB 0.325 ? Z: 21 36.236 2.082 0.986 0.933 1.000 0.450 CB 1.368 21 residues pruned to eliminate duplicates Z: 9 3.012 1.162 0.472 0.323 0.750 0.375 CA 1.009 Z: 10 7.116 1.838 0.316 0.447 0.889 0.222 CB 1.166 10 residues pruned to eliminate duplicates Z: 8 10.185 1.765 0.255 0.885 1.000 0.857 CA 1.254 8 residues pruned to eliminate duplicates Z: 6 3.091 1.469 -0.069 0.590 1.000 0.800 CB 0.927 Z: 8 13.719 1.689 1.087 0.625 0.857 0.571 O 1.526 8 residues pruned to eliminate duplicates Z: 6 4.311 1.713 0.371 0.518 0.800 0.600 CB 1.009 7 residues pruned to eliminate duplicates 6 1.328 1.207 0.384 0.329 0.600 0.200 CB 0.715 ? Z: 10 8.780 1.785 0.277 0.578 1.000 0.889 CB 1.192 10 residues pruned to eliminate duplicates Z: 30 21.590 1.843 0.679 0.557 0.931 0.517 CB 1.316 30 residues pruned to eliminate duplicates Z: 9 5.209 1.619 0.263 0.351 0.875 0.500 CA 1.210 9 residues pruned to eliminate duplicates Z: 11 2.655 1.439 0.277 0.063 0.800 0.300 CB 1.014 11 residues pruned to eliminate duplicates Z: 15 9.029 1.751 0.492 0.459 0.929 0.643 CB 1.038 15 residues pruned to eliminate duplicates Z: 21 19.034 1.958 0.553 0.889 0.750 0.550 CB 1.343 21 residues pruned to eliminate duplicates Z: 7 3.706 1.550 -0.007 0.624 0.833 0.667 CB 1.050 Z: 21 39.415 2.098 1.016 0.929 1.000 0.600 CB 1.458 21 residues pruned to eliminate duplicates Z: 23 13.325 1.749 0.365 0.550 0.864 0.773 CA 1.312 23 residues pruned to eliminate duplicates Z: 10 2.915 1.210 0.439 0.288 0.778 0.444 O 0.911 Z: 7 2.245 1.315 0.448 0.242 0.833 0.333 C 0.779 Z: 10 3.894 1.484 0.130 0.281 1.000 0.556 CB 0.991 7 residues pruned to eliminate duplicates Z: 20 9.922 1.868 0.198 0.363 0.947 0.789 CB 1.245 20 residues pruned to eliminate duplicates Z: 64 36.152 1.995 0.610 0.583 0.905 0.556 CA 1.447 64 residues pruned to eliminate duplicates Z: 24 9.931 1.786 0.123 0.476 0.870 0.609 CB 1.216 24 residues pruned to eliminate duplicates Z: 39 33.396 2.057 0.711 0.672 0.947 0.605 CA 1.386 39 residues pruned to eliminate duplicates Z: 7 3.309 1.419 0.120 0.387 1.000 0.333 CA 0.958 Z: 14 7.679 1.684 0.358 0.461 0.769 0.538 CB 1.259 14 residues pruned to eliminate duplicates Z: 10 4.131 1.690 -0.041 0.271 0.889 0.333 CA 1.240 10 residues pruned to eliminate duplicates Z: 27 11.971 1.921 0.316 0.450 0.962 0.654 CB 1.016 27 residues pruned to eliminate duplicates Z: 20 6.829 1.503 0.466 0.402 0.737 0.579 CB 1.069 20 residues pruned to eliminate duplicates Z: 44 42.498 2.164 0.726 0.659 0.977 0.674 CA 1.534 44 residues pruned to eliminate duplicates Z: 8 11.287 1.731 0.866 0.630 1.000 0.714 CB 1.169 7 residues pruned to eliminate duplicates Z: 10 14.202 1.848 0.673 0.821 0.889 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 8 4.127 1.549 0.026 0.475 0.857 0.857 CB 1.174 8 residues pruned to eliminate duplicates Z: 15 8.442 1.587 0.511 0.498 0.857 0.714 CB 1.100 15 residues pruned to eliminate duplicates Z: 9 4.232 1.623 0.143 0.300 1.000 0.750 CB 1.009 9 residues pruned to eliminate duplicates Z: 21 24.356 2.058 0.361 0.873 0.950 0.850 CB 1.491 21 residues pruned to eliminate duplicates Z: 6 9.035 1.882 0.489 0.819 1.000 0.800 CB 1.093 11 residues pruned to eliminate duplicates Z: 8 5.155 1.275 0.707 0.507 0.857 0.286 C 1.038 Z: 6 8.578 1.618 0.737 0.792 1.000 0.600 CB 1.056 6 residues pruned to eliminate duplicates Z: 13 30.489 2.030 1.191 0.829 1.000 0.750 CA 1.489 13 residues pruned to eliminate duplicates Z: 22 19.790 2.040 0.457 0.647 0.905 0.667 CB 1.401 22 residues pruned to eliminate duplicates Z: 14 12.569 1.858 0.496 0.493 1.000 0.846 CA 1.262 14 residues pruned to eliminate duplicates Z: 20 14.341 1.912 0.408 0.453 0.947 0.579 CA 1.354 20 residues pruned to eliminate duplicates Z: 7 2.501 1.269 0.117 0.241 1.000 0.667 N 0.972 Z: 9 3.535 1.796 0.325 0.150 0.750 0.500 CB 1.077 6 residues pruned to eliminate duplicates Z: 16 13.272 1.961 0.219 0.480 0.933 0.733 CB 1.568 16 residues pruned to eliminate duplicates Z: 22 9.761 1.694 0.273 0.413 0.905 0.571 CB 1.195 22 residues pruned to eliminate duplicates Z: 29 16.476 1.897 0.427 0.488 0.964 0.679 CB 1.208 29 residues pruned to eliminate duplicates Z: 11 5.374 1.720 0.322 0.236 0.800 0.100 N 1.270 11 residues pruned to eliminate duplicates Z: 15 4.270 1.503 0.143 0.249 0.786 0.500 CB 1.128 Z: 32 29.594 2.058 0.453 0.680 0.968 0.710 CB 1.556 32 residues pruned to eliminate duplicates Z: 6 4.689 1.780 -0.045 0.655 1.000 1.000 CA 1.067 Z: 6 9.108 1.969 0.758 0.596 0.800 0.600 CB 1.341 Z: 9 3.841 1.405 0.141 0.475 0.875 0.625 CA 0.992 Z: 41 16.979 1.936 0.434 0.366 0.825 0.525 CB 1.353 41 residues pruned to eliminate duplicates Z: 35 18.115 2.104 0.486 0.382 0.794 0.559 CB 1.419 41 residues pruned to eliminate duplicates Z: 6 2.826 1.425 0.224 0.454 0.800 0.600 O 0.949 Z: 9 4.521 1.465 0.132 0.579 0.875 0.625 CB 1.021 7 residues pruned to eliminate duplicates Z: 6 3.320 1.398 0.713 0.646 1.000 0.800 CB 0.541 Z: 10 8.610 1.662 0.801 0.656 0.778 0.778 CA 1.066 10 residues pruned to eliminate duplicates Z: 6 9.073 1.530 1.064 0.714 1.000 0.600 CB 1.058 Z: 6 3.250 1.553 -0.086 0.631 0.800 0.800 N 1.131 Z: 7 2.279 1.147 0.359 0.492 0.667 0.667 CB 0.903 Z: 28 21.744 2.043 0.661 0.415 0.926 0.630 CB 1.455 28 residues pruned to eliminate duplicates Z: 30 19.524 1.880 0.643 0.476 0.897 0.655 CB 1.341 30 residues pruned to eliminate duplicates Z: 21 25.904 1.967 0.530 0.882 1.000 0.800 CB 1.393 21 residues pruned to eliminate duplicates Z: 37 25.258 2.139 0.556 0.498 0.861 0.556 CB 1.472 37 residues pruned to eliminate duplicates Z: 11 15.979 1.942 0.737 0.869 1.000 0.800 CB 1.094 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.784 1.843 0.592 0.458 0.500 0.333 N 1.390 8 residues pruned to eliminate duplicates Z: 6 4.392 1.674 0.852 0.312 0.800 0.400 CA 0.975 6 residues pruned to eliminate duplicates Z: 14 10.507 1.838 0.688 0.349 0.846 0.462 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 13.985 1.995 0.579 0.526 0.909 0.455 CA 1.435 12 residues pruned to eliminate duplicates Z: 10 13.200 2.042 0.557 0.661 0.889 0.556 CA 1.341 10 residues pruned to eliminate duplicates Z: 11 11.291 1.990 0.484 0.542 0.900 0.500 CB 1.289 11 residues pruned to eliminate duplicates Z: 13 10.992 1.855 0.618 0.463 0.833 0.500 CB 1.317 13 residues pruned to eliminate duplicates Z: 11 13.699 2.029 0.704 0.530 0.900 0.500 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 14.098 2.052 0.686 0.543 0.900 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 11 19.088 2.046 0.724 0.605 1.000 0.500 CA 1.548 12 residues pruned to eliminate duplicates Z: 7 3.172 1.216 0.361 0.352 1.000 0.500 N 0.919 7 residues pruned to eliminate duplicates Z: 9 12.353 1.943 0.632 0.615 0.875 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 7 6.723 1.622 0.730 0.467 0.833 0.500 O 1.213 7 residues pruned to eliminate duplicates Z: 9 12.436 1.875 0.698 0.621 0.875 0.500 CB 1.409 9 residues pruned to eliminate duplicates Z: 23 16.096 1.919 0.330 0.624 1.000 0.682 CB 1.196 23 residues pruned to eliminate duplicates Z: 14 10.924 1.859 0.543 0.635 0.923 0.615 CB 1.008 14 residues pruned to eliminate duplicates Z: 15 9.451 1.765 0.529 0.599 0.857 0.500 CB 0.994 15 residues pruned to eliminate duplicates Z: 8 6.381 1.929 0.392 0.436 0.857 0.571 CA 1.119 8 residues pruned to eliminate duplicates Z: 22 14.266 1.856 0.629 0.476 0.905 0.571 CB 1.166 22 residues pruned to eliminate duplicates Z: 7 2.936 1.544 0.280 0.226 0.833 0.333 CA 1.003 7 residues pruned to eliminate duplicates Z: 12 10.880 1.687 0.450 0.532 1.000 0.455 CB 1.300 12 residues pruned to eliminate duplicates Z: 28 13.726 1.716 0.656 0.405 0.852 0.630 CA 1.206 28 residues pruned to eliminate duplicates Z: 10 11.179 1.908 0.908 0.530 0.889 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 15 8.313 1.779 0.499 0.390 0.857 0.500 CB 1.093 15 residues pruned to eliminate duplicates Z: 21 7.166 1.715 0.192 0.378 0.850 0.500 CB 1.050 21 residues pruned to eliminate duplicates Z: 10 6.243 1.823 0.212 0.412 0.778 0.333 CB 1.327 11 residues pruned to eliminate duplicates Z: 6 6.080 1.703 0.397 0.446 1.000 0.400 CA 1.208 6 residues pruned to eliminate duplicates Z: 10 6.369 1.906 0.405 0.313 0.778 0.444 CB 1.253 9 residues pruned to eliminate duplicates Z: 6 2.708 1.376 0.576 0.267 0.800 0.200 C 0.910 6 residues pruned to eliminate duplicates Z: 6 5.376 1.540 0.614 0.418 1.000 0.600 CA 1.054 6 residues pruned to eliminate duplicates Z: 7 9.458 1.913 0.838 0.466 1.000 0.167 CB 1.138 7 residues pruned to eliminate duplicates Z: 7 7.006 1.780 0.783 0.522 0.833 0.667 CB 1.058 7 residues pruned to eliminate duplicates Z: 28 13.954 1.862 0.360 0.411 0.926 0.704 CB 1.257 29 residues pruned to eliminate duplicates Z: 7 6.286 1.735 0.289 0.557 1.000 0.667 CB 1.085 7 residues pruned to eliminate duplicates Z: 28 14.072 1.933 0.283 0.382 1.000 0.556 CB 1.238 26 residues pruned to eliminate duplicates Z: 6 7.032 1.743 0.490 0.664 0.800 0.600 CB 1.300 6 residues pruned to eliminate duplicates Z: 29 13.803 1.911 0.284 0.418 0.929 0.607 CB 1.248 29 residues pruned to eliminate duplicates Z: 28 15.092 1.959 0.359 0.440 0.926 0.704 CB 1.254 28 residues pruned to eliminate duplicates Z: 30 11.924 1.871 0.345 0.420 0.828 0.621 CB 1.156 30 residues pruned to eliminate duplicates Z: 21 13.435 2.005 0.315 0.482 0.950 0.700 CB 1.221 21 residues pruned to eliminate duplicates Z: 32 14.587 1.844 0.347 0.419 0.968 0.645 CB 1.186 32 residues pruned to eliminate duplicates Z: 29 14.318 1.902 0.332 0.431 0.964 0.750 CB 1.189 29 residues pruned to eliminate duplicates Z: 33 13.793 1.837 0.255 0.392 0.969 0.594 CB 1.224 33 residues pruned to eliminate duplicates Z: 30 14.853 1.884 0.362 0.412 0.931 0.655 CB 1.265 30 residues pruned to eliminate duplicates Z: 6 7.930 1.558 0.863 0.728 1.000 0.200 CB 0.995 5 residues pruned to eliminate duplicates Z: 6 7.110 1.534 0.675 0.744 1.000 0.600 N 0.995 6 residues pruned to eliminate duplicates Z: 13 7.587 1.642 0.400 0.509 0.833 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 6.640 1.607 0.188 0.440 0.917 0.417 CA 1.166 13 residues pruned to eliminate duplicates Z: 15 4.802 1.587 0.348 0.373 0.786 0.500 CB 0.874 15 residues pruned to eliminate duplicates Z: 10 7.005 1.707 0.321 0.532 0.889 0.778 CB 1.128 10 residues pruned to eliminate duplicates Z: 13 7.051 1.664 0.146 0.375 0.917 0.333 CB 1.330 13 residues pruned to eliminate duplicates Z: 9 4.204 1.738 0.770 0.187 0.750 0.250 CB 0.938 9 residues pruned to eliminate duplicates Z: 11 3.447 1.743 0.376 0.137 0.700 0.100 CB 1.020 9 residues pruned to eliminate duplicates Z: 9 6.387 1.623 0.745 0.492 0.875 0.625 CB 0.919 10 residues pruned to eliminate duplicates Z: 6 5.819 1.613 0.880 0.636 0.800 0.600 CB 0.945 7 residues pruned to eliminate duplicates Z: 7 4.218 1.341 0.809 0.707 0.833 0.333 N 0.706 7 residues pruned to eliminate duplicates Z: 7 4.697 1.597 0.630 0.287 0.667 0.333 C 1.404 7 residues pruned to eliminate duplicates Z: 13 21.415 2.025 0.959 0.486 0.917 0.583 CB 1.723 19 residues pruned to eliminate duplicates Z: 6 5.335 1.660 1.151 0.300 0.800 0.600 CA 1.044 6 residues pruned to eliminate duplicates Z: 14 13.724 2.017 0.938 0.427 0.769 0.615 CB 1.365 14 residues pruned to eliminate duplicates Z: 13 18.856 2.035 0.807 0.452 0.917 0.583 CB 1.696 13 residues pruned to eliminate duplicates Z: 15 15.596 1.922 0.887 0.408 0.857 0.571 CB 1.477 15 residues pruned to eliminate duplicates Z: 14 13.072 1.990 0.826 0.385 0.846 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 14 12.436 1.990 0.863 0.418 0.769 0.462 CB 1.318 14 residues pruned to eliminate duplicates Z: 19 18.419 1.932 0.832 0.407 0.889 0.556 CB 1.521 13 residues pruned to eliminate duplicates Z: 23 16.567 1.934 0.480 0.473 0.955 0.727 CB 1.329 23 residues pruned to eliminate duplicates Z: 34 14.361 1.811 0.434 0.434 0.788 0.515 CB 1.308 34 residues pruned to eliminate duplicates Z: 6 8.596 1.920 0.619 0.550 1.000 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 25 13.845 1.864 0.398 0.477 0.917 0.667 CB 1.211 25 residues pruned to eliminate duplicates Z: 18 14.635 1.874 0.545 0.434 1.000 0.647 CB 1.312 18 residues pruned to eliminate duplicates Z: 25 17.767 1.852 0.548 0.462 0.958 0.625 CB 1.373 26 residues pruned to eliminate duplicates Z: 24 15.703 1.875 0.511 0.445 0.913 0.565 CB 1.339 24 residues pruned to eliminate duplicates Z: 25 13.758 1.861 0.572 0.457 0.833 0.625 CB 1.203 25 residues pruned to eliminate duplicates Z: 26 15.510 1.917 0.449 0.472 0.840 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 19 10.873 1.741 0.562 0.409 0.889 0.611 CB 1.167 19 residues pruned to eliminate duplicates Z: 26 17.099 1.915 0.497 0.469 0.920 0.520 CB 1.338 26 residues pruned to eliminate duplicates Z: 27 16.050 1.885 0.430 0.475 0.885 0.538 CB 1.354 27 residues pruned to eliminate duplicates Z: 24 13.611 1.823 0.521 0.425 0.913 0.652 CB 1.212 24 residues pruned to eliminate duplicates Z: 22 15.413 1.927 0.409 0.449 0.952 0.619 CB 1.371 22 residues pruned to eliminate duplicates Z: 26 16.142 1.920 0.431 0.449 0.960 0.640 CB 1.290 26 residues pruned to eliminate duplicates Z: 24 15.314 1.883 0.509 0.390 0.957 0.565 CB 1.321 24 residues pruned to eliminate duplicates Z: 26 15.729 1.900 0.440 0.443 0.920 0.440 CB 1.325 26 residues pruned to eliminate duplicates Z: 27 14.063 1.879 0.361 0.429 0.923 0.462 CB 1.258 27 residues pruned to eliminate duplicates Z: 12 9.023 1.890 0.452 0.356 0.909 0.636 CB 1.274 13 residues pruned to eliminate duplicates Z: 7 3.318 1.724 0.106 0.337 0.833 0.167 CA 1.018 7 residues pruned to eliminate duplicates Z: 12 5.841 1.778 0.394 0.383 0.727 0.364 CA 1.106 12 residues pruned to eliminate duplicates Z: 11 7.873 1.953 0.263 0.445 0.900 0.400 CA 1.187 11 residues pruned to eliminate duplicates Z: 9 6.698 1.695 0.638 0.539 0.875 0.250 CA 0.939 9 residues pruned to eliminate duplicates Z: 18 13.837 1.877 0.537 0.541 0.941 0.588 CB 1.188 18 residues pruned to eliminate duplicates Z: 18 13.483 1.880 0.426 0.580 1.000 0.647 CB 1.129 18 residues pruned to eliminate duplicates Z: 16 13.473 1.927 0.489 0.527 1.000 0.600 CB 1.180 16 residues pruned to eliminate duplicates Z: 18 14.181 1.906 0.447 0.529 1.000 0.647 CB 1.212 19 residues pruned to eliminate duplicates Z: 6 6.688 1.875 0.736 0.529 0.800 0.600 CA 1.116 6 residues pruned to eliminate duplicates Z: 18 12.881 1.929 0.351 0.517 0.941 0.529 CB 1.252 17 residues pruned to eliminate duplicates Z: 6 5.076 1.365 0.635 0.404 1.000 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 16 9.675 1.923 0.329 0.512 0.867 0.533 CB 1.114 16 residues pruned to eliminate duplicates Z: 11 8.134 1.903 0.431 0.516 0.900 0.800 CB 1.034 11 residues pruned to eliminate duplicates Z: 11 9.866 1.911 0.291 0.545 1.000 0.500 CB 1.210 11 residues pruned to eliminate duplicates 6 1.847 1.612 0.276 0.100 0.800 0.200 CA 0.837 ? Z: 6 2.497 1.680 0.574 0.115 0.800 0.200 CA 0.858 Z: 7 2.910 1.313 0.632 0.257 0.833 0.500 CA 0.880 5 residues pruned to eliminate duplicates Z: 6 3.868 1.485 0.363 0.459 1.000 0.600 CA 0.891 6 residues pruned to eliminate duplicates Z: 17 14.000 2.011 0.292 0.523 0.875 0.500 CA 1.504 21 residues pruned to eliminate duplicates Z: 21 13.309 1.931 0.378 0.411 0.850 0.550 CB 1.445 21 residues pruned to eliminate duplicates Z: 19 11.881 1.871 0.281 0.485 0.944 0.611 CB 1.256 19 residues pruned to eliminate duplicates Z: 13 10.176 1.928 0.115 0.504 1.000 0.583 CB 1.362 13 residues pruned to eliminate duplicates Z: 19 11.368 1.862 0.207 0.453 0.944 0.500 CA 1.325 19 residues pruned to eliminate duplicates Z: 16 11.755 1.891 0.185 0.507 1.000 0.600 CA 1.346 16 residues pruned to eliminate duplicates Z: 10 7.579 1.829 0.033 0.667 1.000 0.667 CB 1.146 12 residues pruned to eliminate duplicates Z: 10 6.333 1.824 0.006 0.724 1.000 0.444 CB 0.940 14 residues pruned to eliminate duplicates Z: 9 4.830 1.762 0.125 0.572 0.750 0.375 CB 1.071 9 residues pruned to eliminate duplicates Z: 10 5.758 1.743 0.212 0.408 0.778 0.222 CB 1.286 8 residues pruned to eliminate duplicates Z: 10 3.799 1.767 0.002 0.504 0.778 0.222 CB 0.916 10 residues pruned to eliminate duplicates Z: 9 6.022 1.696 0.235 0.502 1.000 0.375 CB 1.014 9 residues pruned to eliminate duplicates Z: 11 5.023 1.723 0.246 0.425 0.800 0.200 CB 0.999 10 residues pruned to eliminate duplicates Z: 11 5.170 1.705 0.160 0.312 0.800 0.100 N 1.273 11 residues pruned to eliminate duplicates Z: 6 2.597 1.613 0.428 0.238 0.600 0.200 CB 1.139 6 1.662 1.327 0.313 0.264 0.600 0.200 CB 0.931 ? Z: 6 6.547 1.794 0.757 0.286 1.000 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 35 20.130 2.043 0.546 0.428 0.882 0.618 CB 1.334 35 residues pruned to eliminate duplicates Z: 34 19.162 2.048 0.324 0.464 0.970 0.515 CB 1.317 33 residues pruned to eliminate duplicates Z: 36 21.974 2.033 0.476 0.443 0.943 0.686 CB 1.391 43 residues pruned to eliminate duplicates Z: 27 14.502 1.852 0.437 0.353 0.885 0.500 CB 1.417 23 residues pruned to eliminate duplicates Z: 33 19.224 1.994 0.551 0.434 0.875 0.594 CB 1.345 33 residues pruned to eliminate duplicates Z: 37 20.827 2.013 0.423 0.434 0.889 0.611 CB 1.460 37 residues pruned to eliminate duplicates Z: 34 22.732 2.069 0.460 0.469 0.939 0.697 CB 1.439 34 residues pruned to eliminate duplicates Z: 34 21.246 2.063 0.447 0.450 0.939 0.636 CB 1.389 39 residues pruned to eliminate duplicates Z: 26 18.738 2.028 0.456 0.428 0.960 0.560 CA 1.425 26 residues pruned to eliminate duplicates Z: 34 23.210 2.062 0.510 0.483 0.939 0.606 CB 1.405 35 residues pruned to eliminate duplicates Z: 33 19.265 1.998 0.382 0.443 0.906 0.594 CB 1.443 33 residues pruned to eliminate duplicates Z: 32 21.192 2.079 0.457 0.471 0.935 0.645 CB 1.383 32 residues pruned to eliminate duplicates Z: 36 21.023 1.968 0.475 0.453 0.943 0.657 CB 1.362 36 residues pruned to eliminate duplicates Z: 35 20.682 1.992 0.502 0.448 0.912 0.529 CB 1.372 35 residues pruned to eliminate duplicates Z: 34 22.304 2.077 0.428 0.477 0.970 0.636 CB 1.382 34 residues pruned to eliminate duplicates Z: 33 19.525 2.084 0.451 0.467 0.875 0.594 CB 1.350 33 residues pruned to eliminate duplicates Z: 32 20.186 2.085 0.424 0.472 0.871 0.613 CB 1.442 32 residues pruned to eliminate duplicates Z: 32 20.283 2.075 0.489 0.466 0.903 0.548 CB 1.352 32 residues pruned to eliminate duplicates Z: 35 17.510 2.015 0.371 0.448 0.941 0.529 CB 1.219 35 residues pruned to eliminate duplicates Z: 24 18.572 2.079 0.472 0.542 0.870 0.652 CB 1.397 24 residues pruned to eliminate duplicates Z: 23 20.025 2.127 0.414 0.532 0.955 0.545 CB 1.442 23 residues pruned to eliminate duplicates Z: 15 9.484 1.966 0.241 0.387 0.857 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 15 12.895 1.953 0.386 0.474 0.929 0.500 CB 1.408 14 residues pruned to eliminate duplicates Z: 7 8.436 1.712 0.543 0.469 1.000 0.667 CA 1.345 7 residues pruned to eliminate duplicates Z: 19 9.921 1.828 0.383 0.382 0.778 0.444 CB 1.348 19 residues pruned to eliminate duplicates Z: 14 11.858 1.980 0.317 0.438 0.923 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 19 7.799 1.782 0.284 0.330 0.722 0.556 CB 1.340 19 residues pruned to eliminate duplicates Z: 15 10.073 1.899 0.324 0.367 0.929 0.500 CB 1.329 15 residues pruned to eliminate duplicates Z: 13 10.374 2.033 0.341 0.424 0.833 0.583 CB 1.426 13 residues pruned to eliminate duplicates Z: 15 8.036 1.861 0.253 0.340 0.786 0.429 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 9.700 1.935 0.362 0.394 0.786 0.571 CB 1.400 15 residues pruned to eliminate duplicates Z: 18 8.664 1.858 0.344 0.295 0.765 0.471 CB 1.383 18 residues pruned to eliminate duplicates Z: 12 8.787 1.886 0.702 0.303 0.727 0.455 CA 1.414 12 residues pruned to eliminate duplicates Z: 25 12.921 1.956 0.504 0.366 0.750 0.458 CB 1.380 25 residues pruned to eliminate duplicates Z: 21 11.184 1.891 0.422 0.392 0.750 0.450 CB 1.390 21 residues pruned to eliminate duplicates Z: 9 9.577 1.922 0.440 0.485 0.750 0.375 N 1.657 9 residues pruned to eliminate duplicates Z: 11 10.046 1.809 0.821 0.293 0.800 0.400 CA 1.520 11 residues pruned to eliminate duplicates Z: 10 9.515 1.782 0.506 0.442 0.889 0.444 CA 1.412 10 residues pruned to eliminate duplicates Z: 23 16.287 1.993 0.493 0.459 0.864 0.636 CA 1.409 23 residues pruned to eliminate duplicates Z: 21 18.554 2.050 0.433 0.473 0.950 0.700 CA 1.528 21 residues pruned to eliminate duplicates Z: 20 10.612 1.994 0.219 0.377 0.842 0.632 CA 1.356 20 residues pruned to eliminate duplicates Z: 23 17.785 2.049 0.503 0.457 0.864 0.727 CA 1.489 23 residues pruned to eliminate duplicates Z: 65 39.595 2.025 0.563 0.650 0.922 0.656 CB 1.474 65 residues pruned to eliminate duplicates Z: 19 11.140 1.853 0.435 0.415 0.944 0.611 CA 1.143 19 residues pruned to eliminate duplicates Z: 23 14.145 2.017 0.332 0.410 0.818 0.682 CA 1.507 23 residues pruned to eliminate duplicates Z: 32 17.075 1.985 0.307 0.510 0.839 0.581 CB 1.395 32 residues pruned to eliminate duplicates Z: 27 28.733 2.066 0.599 0.710 0.962 0.731 CA 1.467 27 residues pruned to eliminate duplicates Z: 29 27.329 2.035 0.493 0.698 1.000 0.750 CA 1.419 29 residues pruned to eliminate duplicates Z: 65 41.693 2.092 0.587 0.574 0.969 0.531 CA 1.509 65 residues pruned to eliminate duplicates Z: 44 30.551 2.032 0.566 0.630 0.930 0.581 CA 1.392 44 residues pruned to eliminate duplicates Z: 43 29.888 2.013 0.445 0.642 0.905 0.619 CB 1.534 43 residues pruned to eliminate duplicates Z: 34 30.898 2.078 0.499 0.657 0.970 0.697 CA 1.540 34 residues pruned to eliminate duplicates Z: 90 42.482 2.031 0.576 0.564 0.899 0.674 CB 1.471 90 residues pruned to eliminate duplicates Z: 47 28.398 2.030 0.441 0.529 0.935 0.413 CA 1.487 47 residues pruned to eliminate duplicates Z: 43 29.125 2.021 0.498 0.628 0.881 0.548 CA 1.494 43 residues pruned to eliminate duplicates Z: 46 34.243 1.965 0.716 0.693 0.956 0.622 CA 1.327 46 residues pruned to eliminate duplicates Z: 66 37.163 2.040 0.528 0.582 0.923 0.585 CB 1.480 66 residues pruned to eliminate duplicates Z: 85 40.153 2.031 0.567 0.521 0.905 0.595 CA 1.491 85 residues pruned to eliminate duplicates Z: 35 29.171 2.071 0.513 0.631 0.941 0.676 CA 1.499 35 residues pruned to eliminate duplicates Z: 34 26.026 2.000 0.730 0.588 0.879 0.545 CA 1.371 34 residues pruned to eliminate duplicates Z: 36 29.390 2.005 0.492 0.634 1.000 0.600 CA 1.465 36 residues pruned to eliminate duplicates Z: 87 44.778 2.045 0.596 0.571 0.942 0.512 CB 1.467 95 residues pruned to eliminate duplicates Z: 18 29.274 2.085 0.811 0.890 0.941 0.588 CA 1.438 18 residues pruned to eliminate duplicates Z: 71 38.701 2.035 0.590 0.548 0.943 0.686 CB 1.447 64 residues pruned to eliminate duplicates Z: 17 25.345 2.059 0.857 0.812 0.812 0.500 CA 1.555 17 residues pruned to eliminate duplicates Z: 46 29.880 2.009 0.609 0.589 0.889 0.644 CB 1.423 46 residues pruned to eliminate duplicates Z: 46 30.011 2.013 0.555 0.558 0.933 0.556 CA 1.447 46 residues pruned to eliminate duplicates Z: 92 38.846 2.020 0.474 0.535 0.912 0.571 CB 1.448 92 residues pruned to eliminate duplicates Z: 84 41.536 2.036 0.618 0.566 0.892 0.542 CA 1.456 84 residues pruned to eliminate duplicates Z: 44 30.413 2.041 0.578 0.551 0.907 0.465 CA 1.512 44 residues pruned to eliminate duplicates Z: 44 32.139 2.046 0.570 0.598 0.930 0.558 CA 1.492 44 residues pruned to eliminate duplicates Z: 23 21.717 1.908 0.854 0.594 1.000 0.591 CB 1.196 23 residues pruned to eliminate duplicates Z: 45 27.870 2.067 0.523 0.493 0.909 0.523 CB 1.477 45 residues pruned to eliminate duplicates Z: 40 19.906 2.016 0.493 0.365 0.897 0.462 CB 1.365 40 residues pruned to eliminate duplicates Z: 46 28.335 2.022 0.524 0.516 0.956 0.533 CB 1.411 46 residues pruned to eliminate duplicates Z: 79 41.828 2.033 0.526 0.562 0.962 0.564 CA 1.496 79 residues pruned to eliminate duplicates Z: 41 40.932 2.080 0.696 0.720 1.000 0.600 CA 1.504 41 residues pruned to eliminate duplicates Z: 22 22.506 1.973 0.640 0.618 1.000 0.667 CB 1.357 22 residues pruned to eliminate duplicates Z: 20 21.270 2.026 0.607 0.617 0.947 0.579 CB 1.416 20 residues pruned to eliminate duplicates Z: 58 39.373 2.017 0.647 0.647 0.912 0.526 CA 1.500 58 residues pruned to eliminate duplicates Z: 53 35.699 2.014 0.648 0.608 0.923 0.519 CA 1.457 53 residues pruned to eliminate duplicates Z: 82 42.975 2.055 0.653 0.555 0.889 0.543 CB 1.499 82 residues pruned to eliminate duplicates Z: 78 41.103 2.067 0.616 0.528 0.909 0.506 CA 1.500 78 residues pruned to eliminate duplicates Z: 85 40.385 2.029 0.605 0.536 0.893 0.524 CA 1.463 85 residues pruned to eliminate duplicates Z: 61 38.934 2.029 0.664 0.562 0.917 0.467 CA 1.529 61 residues pruned to eliminate duplicates Z: 92 44.082 2.041 0.625 0.555 0.901 0.582 CB 1.466 92 residues pruned to eliminate duplicates Z: 66 42.811 2.055 0.684 0.562 0.985 0.462 CB 1.467 66 residues pruned to eliminate duplicates Z: 33 20.009 2.015 0.489 0.418 0.875 0.438 CB 1.467 33 residues pruned to eliminate duplicates Z: 46 27.038 2.035 0.590 0.484 0.911 0.578 CB 1.389 46 residues pruned to eliminate duplicates Z: 77 39.625 2.005 0.591 0.513 0.934 0.461 CB 1.506 77 residues pruned to eliminate duplicates Z: 76 38.959 2.038 0.590 0.551 0.880 0.467 CA 1.501 76 residues pruned to eliminate duplicates Z: 46 23.856 2.019 0.486 0.470 0.867 0.467 CA 1.410 46 residues pruned to eliminate duplicates Z: 46 26.581 2.047 0.526 0.467 0.933 0.489 CB 1.406 46 residues pruned to eliminate duplicates Z: 25 17.191 2.028 0.469 0.401 0.875 0.500 CA 1.494 25 residues pruned to eliminate duplicates Z: 30 18.103 2.050 0.455 0.378 0.828 0.483 CB 1.550 30 residues pruned to eliminate duplicates Z: 22 19.982 2.021 0.514 0.453 0.905 0.429 CB 1.653 22 residues pruned to eliminate duplicates Z: 78 42.229 2.044 0.583 0.549 0.935 0.571 CA 1.516 78 residues pruned to eliminate duplicates Z: 6 6.999 1.625 0.622 0.528 1.000 0.400 CA 1.154 6 residues pruned to eliminate duplicates Z: 32 21.177 2.021 0.508 0.377 0.935 0.452 CA 1.521 31 residues pruned to eliminate duplicates Z: 6 3.628 1.646 0.181 0.382 0.800 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 45 24.731 2.029 0.570 0.442 0.841 0.432 CB 1.477 45 residues pruned to eliminate duplicates Z: 19 14.630 2.088 0.421 0.402 0.833 0.444 CA 1.545 19 residues pruned to eliminate duplicates Z: 32 20.434 2.068 0.443 0.426 0.903 0.452 CA 1.471 32 residues pruned to eliminate duplicates Z: 18 16.986 2.036 0.556 0.506 0.941 0.588 CA 1.373 19 residues pruned to eliminate duplicates Z: 10 11.680 1.650 0.691 0.787 1.000 0.778 CA 1.085 10 residues pruned to eliminate duplicates Z: 46 31.647 2.062 0.676 0.516 0.911 0.489 CA 1.475 46 residues pruned to eliminate duplicates Z: 45 26.788 2.067 0.575 0.499 0.886 0.545 CA 1.401 45 residues pruned to eliminate duplicates Z: 33 20.166 1.957 0.566 0.472 0.906 0.500 CA 1.322 33 residues pruned to eliminate duplicates Z: 32 21.410 2.071 0.487 0.455 0.935 0.581 CA 1.397 32 residues pruned to eliminate duplicates Z: 45 25.076 1.966 0.573 0.472 0.909 0.591 CA 1.383 44 residues pruned to eliminate duplicates Z: 6 3.669 1.498 0.796 0.169 1.000 0.600 CA 0.912 6 residues pruned to eliminate duplicates Z: 8 5.131 1.702 0.132 0.736 0.714 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 24 10.150 1.699 0.577 0.322 0.826 0.652 CB 1.163 24 residues pruned to eliminate duplicates Z: 22 10.897 1.707 0.485 0.496 0.714 0.429 CB 1.318 22 residues pruned to eliminate duplicates Z: 15 12.767 1.847 0.505 0.423 0.929 0.786 CB 1.431 15 residues pruned to eliminate duplicates Z: 15 9.069 1.839 0.294 0.373 0.786 0.429 CB 1.485 15 residues pruned to eliminate duplicates Z: 17 8.394 1.704 0.238 0.400 0.875 0.375 CB 1.264 17 residues pruned to eliminate duplicates Z: 12 8.805 1.812 0.336 0.487 0.818 0.455 CB 1.358 12 residues pruned to eliminate duplicates Z: 12 7.323 1.794 0.203 0.417 0.909 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 14 7.399 1.706 0.315 0.420 0.846 0.462 CB 1.175 14 residues pruned to eliminate duplicates Z: 9 6.385 1.691 0.749 0.356 1.000 0.500 CA 0.892 9 residues pruned to eliminate duplicates Z: 7 7.435 1.869 0.463 0.419 0.833 0.833 CA 1.449 7 residues pruned to eliminate duplicates Z: 41 15.540 1.848 0.382 0.383 0.850 0.500 CB 1.282 41 residues pruned to eliminate duplicates Z: 43 16.361 1.813 0.463 0.366 0.857 0.500 CB 1.283 43 residues pruned to eliminate duplicates Z: 28 10.697 1.817 0.365 0.326 0.815 0.519 CB 1.233 28 residues pruned to eliminate duplicates Z: 27 12.870 1.810 0.362 0.337 0.885 0.538 CB 1.383 27 residues pruned to eliminate duplicates Z: 28 14.073 1.916 0.370 0.325 0.889 0.519 CB 1.406 28 residues pruned to eliminate duplicates Z: 38 16.584 1.898 0.434 0.353 0.946 0.486 CB 1.242 38 residues pruned to eliminate duplicates Z: 20 7.539 1.765 0.372 0.194 0.789 0.316 CB 1.302 20 residues pruned to eliminate duplicates Z: 22 10.373 1.896 0.273 0.304 0.857 0.476 CA 1.361 22 residues pruned to eliminate duplicates Z: 10 3.530 1.736 0.082 0.155 0.778 0.333 CB 1.230 10 residues pruned to eliminate duplicates Z: 21 13.125 1.924 0.419 0.349 1.000 0.500 CB 1.267 21 residues pruned to eliminate duplicates Z: 21 10.416 1.914 0.531 0.292 0.850 0.500 CA 1.180 21 residues pruned to eliminate duplicates Z: 23 10.006 1.906 0.297 0.354 0.818 0.500 CB 1.235 23 residues pruned to eliminate duplicates Z: 21 11.490 1.923 0.300 0.352 0.900 0.550 CB 1.341 21 residues pruned to eliminate duplicates Z: 29 13.367 1.887 0.384 0.377 0.893 0.357 CB 1.235 29 residues pruned to eliminate duplicates Z: 21 11.253 1.877 0.434 0.319 0.850 0.600 CB 1.343 21 residues pruned to eliminate duplicates Z: 26 11.439 1.792 0.476 0.307 0.800 0.520 CB 1.340 26 residues pruned to eliminate duplicates Z: 13 10.675 1.888 0.450 0.398 0.833 0.750 CA 1.504 13 residues pruned to eliminate duplicates Z: 13 13.470 2.017 0.659 0.398 0.917 0.667 CB 1.411 13 residues pruned to eliminate duplicates Z: 14 8.614 1.966 0.393 0.407 0.846 0.538 CB 1.137 14 residues pruned to eliminate duplicates Z: 12 8.632 2.001 0.198 0.448 0.909 0.727 CA 1.260 12 residues pruned to eliminate duplicates Z: 22 14.288 1.945 0.425 0.343 1.000 0.571 CB 1.334 22 residues pruned to eliminate duplicates Z: 14 11.814 1.849 0.586 0.426 0.923 0.462 CB 1.308 14 residues pruned to eliminate duplicates Z: 23 11.741 1.875 0.340 0.320 0.955 0.455 CB 1.272 23 residues pruned to eliminate duplicates Z: 14 11.038 1.818 0.486 0.361 1.000 0.769 N 1.317 14 residues pruned to eliminate duplicates Z: 22 11.629 1.908 0.412 0.336 0.857 0.476 CA 1.314 22 residues pruned to eliminate duplicates Z: 18 14.799 1.964 0.472 0.459 0.941 0.471 CB 1.375 18 residues pruned to eliminate duplicates Z: 16 8.287 2.013 0.647 0.335 0.667 0.533 CB 1.159 16 residues pruned to eliminate duplicates Z: 13 5.482 1.898 0.272 0.376 0.833 0.417 CB 0.899 13 residues pruned to eliminate duplicates Z: 19 9.375 1.877 0.340 0.416 0.833 0.556 CB 1.151 19 residues pruned to eliminate duplicates Z: 16 8.684 2.121 0.207 0.427 0.800 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 14 8.536 2.180 0.187 0.372 0.769 0.462 CB 1.364 14 residues pruned to eliminate duplicates Z: 14 9.321 2.026 0.553 0.388 0.769 0.462 CB 1.203 14 residues pruned to eliminate duplicates Z: 33 14.204 1.921 0.411 0.374 0.844 0.531 CA 1.256 33 residues pruned to eliminate duplicates Z: 16 8.223 2.110 0.224 0.363 0.733 0.333 CB 1.299 16 residues pruned to eliminate duplicates Z: 16 11.691 2.058 0.489 0.406 0.800 0.467 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 10.632 2.062 0.402 0.361 0.857 0.429 CB 1.332 15 residues pruned to eliminate duplicates Z: 14 9.571 2.155 0.413 0.344 0.769 0.538 CB 1.343 14 residues pruned to eliminate duplicates Z: 14 10.910 2.149 0.495 0.387 0.769 0.538 CB 1.381 14 residues pruned to eliminate duplicates Z: 15 6.054 2.021 0.278 0.274 0.571 0.357 CB 1.416 15 residues pruned to eliminate duplicates Z: 13 8.226 2.160 0.343 0.363 0.750 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 26 11.256 2.000 0.487 0.331 0.680 0.480 CB 1.339 26 residues pruned to eliminate duplicates Z: 25 13.074 2.129 0.286 0.289 0.792 0.417 CA 1.562 25 residues pruned to eliminate duplicates Z: 23 17.329 2.130 0.630 0.347 0.773 0.455 CA 1.625 23 residues pruned to eliminate duplicates Z: 44 18.119 2.001 0.510 0.341 0.791 0.442 CB 1.376 44 residues pruned to eliminate duplicates Z: 11 7.451 1.839 0.377 0.279 0.900 0.300 CB 1.327 11 residues pruned to eliminate duplicates Z: 28 18.396 2.077 0.503 0.367 0.852 0.481 CB 1.534 28 residues pruned to eliminate duplicates Z: 26 14.254 2.027 0.482 0.294 0.800 0.480 CB 1.495 26 residues pruned to eliminate duplicates Z: 28 13.052 1.981 0.391 0.310 0.815 0.407 CB 1.382 28 residues pruned to eliminate duplicates Z: 8 9.668 2.087 0.570 0.457 0.714 0.429 CA 1.632 17 residues pruned to eliminate duplicates Z: 32 26.837 2.071 0.381 0.569 0.968 0.742 CA 1.629 32 residues pruned to eliminate duplicates Z: 43 23.605 1.952 0.332 0.558 0.929 0.619 CB 1.427 43 residues pruned to eliminate duplicates Z: 38 30.736 2.047 0.524 0.604 0.946 0.676 CA 1.551 38 residues pruned to eliminate duplicates Z: 6 5.770 1.755 0.263 0.457 1.000 0.600 N 1.216 6 residues pruned to eliminate duplicates Z: 44 19.932 2.043 0.434 0.374 0.791 0.465 CA 1.501 44 residues pruned to eliminate duplicates Z: 27 28.727 2.035 0.470 0.711 1.000 0.885 CB 1.556 27 residues pruned to eliminate duplicates Z: 31 22.776 2.004 0.386 0.619 0.900 0.633 CB 1.487 31 residues pruned to eliminate duplicates Z: 43 24.170 2.074 0.395 0.488 0.857 0.524 CA 1.523 43 residues pruned to eliminate duplicates Z: 23 22.826 2.130 0.295 0.665 0.955 0.773 CA 1.587 23 residues pruned to eliminate duplicates Z: 24 21.704 2.065 0.368 0.700 0.913 0.652 CB 1.463 24 residues pruned to eliminate duplicates Z: 24 25.058 2.083 0.555 0.710 0.913 0.609 CB 1.460 24 residues pruned to eliminate duplicates Z: 25 24.875 2.080 0.540 0.693 0.917 0.667 CB 1.450 25 residues pruned to eliminate duplicates Z: 21 19.060 2.146 0.228 0.708 0.850 0.650 CB 1.575 21 residues pruned to eliminate duplicates Z: 19 21.989 2.105 0.418 0.690 0.944 0.556 CB 1.545 19 residues pruned to eliminate duplicates Z: 24 24.564 2.050 0.479 0.703 0.957 0.609 CB 1.468 24 residues pruned to eliminate duplicates Z: 18 23.220 2.185 0.542 0.711 0.941 0.529 CB 1.467 18 residues pruned to eliminate duplicates Z: 27 22.237 1.999 0.585 0.669 0.885 0.615 CB 1.331 27 residues pruned to eliminate duplicates Z: 19 23.204 2.074 0.656 0.668 0.944 0.500 CB 1.443 19 residues pruned to eliminate duplicates Z: 15 21.063 2.196 0.524 0.645 0.929 0.571 CB 1.582 15 residues pruned to eliminate duplicates Z: 22 30.674 2.108 0.702 0.805 1.000 0.714 CB 1.430 22 residues pruned to eliminate duplicates Z: 54 33.801 2.035 0.615 0.558 0.906 0.491 CB 1.474 54 residues pruned to eliminate duplicates Z: 18 24.964 2.201 0.801 0.706 0.882 0.588 CB 1.435 18 residues pruned to eliminate duplicates Z: 24 19.041 1.971 0.569 0.576 0.870 0.391 CB 1.372 24 residues pruned to eliminate duplicates Z: 27 31.114 2.048 0.618 0.789 0.962 0.577 CB 1.486 27 residues pruned to eliminate duplicates Z: 14 18.657 1.961 0.736 0.835 0.923 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 11 9.650 1.889 0.662 0.762 0.700 0.000 CB 1.101 11 residues pruned to eliminate duplicates Z: 25 25.015 2.012 0.690 0.645 0.875 0.292 CB 1.499 25 residues pruned to eliminate duplicates Z: 10 9.295 1.889 0.432 0.607 0.778 0.111 CB 1.330 10 residues pruned to eliminate duplicates Z: 22 26.810 2.151 0.612 0.713 0.905 0.333 CB 1.537 22 residues pruned to eliminate duplicates Z: 22 11.053 2.051 0.524 0.240 0.714 0.381 CB 1.459 22 residues pruned to eliminate duplicates Z: 11 9.714 1.942 0.256 0.509 0.800 0.300 CA 1.560 11 residues pruned to eliminate duplicates Z: 10 6.125 1.867 0.075 0.505 0.667 0.222 CB 1.518 10 residues pruned to eliminate duplicates Z: 8 12.756 2.088 0.558 0.595 0.857 0.857 CA 1.580 8 residues pruned to eliminate duplicates Z: 7 11.426 2.063 0.391 0.666 1.000 0.667 CA 1.394 7 residues pruned to eliminate duplicates Z: 54 29.052 1.974 0.676 0.489 0.887 0.472 CB 1.374 54 residues pruned to eliminate duplicates Z: 31 11.915 1.737 0.515 0.284 0.733 0.467 N 1.438 31 residues pruned to eliminate duplicates Z: 20 18.596 2.109 0.702 0.360 0.895 0.579 CB 1.544 20 residues pruned to eliminate duplicates Z: 20 15.614 2.144 0.635 0.355 0.789 0.316 CB 1.514 20 residues pruned to eliminate duplicates Z: 21 16.918 2.071 0.763 0.352 0.900 0.500 CB 1.351 21 residues pruned to eliminate duplicates Z: 35 24.669 2.109 0.610 0.458 0.853 0.529 CA 1.524 35 residues pruned to eliminate duplicates Z: 44 26.695 2.104 0.579 0.486 0.860 0.465 CB 1.444 44 residues pruned to eliminate duplicates Z: 11 11.992 2.286 0.642 0.225 0.900 0.400 CB 1.548 11 residues pruned to eliminate duplicates Z: 42 31.159 2.141 0.731 0.531 0.854 0.390 CB 1.493 42 residues pruned to eliminate duplicates Z: 32 23.639 2.102 0.534 0.483 0.968 0.548 CB 1.385 32 residues pruned to eliminate duplicates Z: 32 20.574 2.141 0.723 0.380 0.742 0.484 CB 1.535 32 residues pruned to eliminate duplicates Z: 70 37.690 2.061 0.695 0.504 0.812 0.449 CB 1.594 70 residues pruned to eliminate duplicates Z: 31 23.782 2.122 0.776 0.412 0.867 0.533 CB 1.458 31 residues pruned to eliminate duplicates Z: 36 25.040 2.100 0.616 0.463 0.886 0.514 CB 1.462 36 residues pruned to eliminate duplicates Z: 21 20.627 2.153 0.440 0.548 0.900 0.650 CA 1.577 21 residues pruned to eliminate duplicates Z: 22 19.659 2.121 0.471 0.520 0.905 0.571 CB 1.490 22 residues pruned to eliminate duplicates Z: 33 19.571 2.106 0.679 0.349 0.812 0.500 CB 1.419 33 residues pruned to eliminate duplicates Z: 27 24.831 2.189 0.500 0.481 0.962 0.654 CB 1.573 27 residues pruned to eliminate duplicates Z: 30 26.724 2.181 0.742 0.424 0.897 0.552 CB 1.577 30 residues pruned to eliminate duplicates Z: 34 21.797 2.053 0.621 0.439 0.788 0.485 CB 1.541 34 residues pruned to eliminate duplicates Z: 36 30.036 2.144 0.640 0.497 0.943 0.486 CB 1.535 36 residues pruned to eliminate duplicates Z: 64 36.707 2.102 0.543 0.554 0.873 0.556 CB 1.550 64 residues pruned to eliminate duplicates Z: 30 22.001 2.128 0.598 0.415 0.862 0.483 CB 1.523 30 residues pruned to eliminate duplicates Z: 20 21.230 2.152 0.514 0.556 0.947 0.579 CB 1.495 39 residues pruned to eliminate duplicates Z: 10 9.775 1.769 0.316 0.645 1.000 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 15 12.710 1.852 0.562 0.568 0.929 0.571 CB 1.184 15 residues pruned to eliminate duplicates Z: 36 26.938 2.127 0.733 0.471 0.886 0.457 CB 1.436 36 residues pruned to eliminate duplicates Z: 39 25.877 2.071 0.628 0.464 0.921 0.526 CB 1.403 39 residues pruned to eliminate duplicates Z: 35 27.512 2.112 0.669 0.468 0.941 0.529 CB 1.469 35 residues pruned to eliminate duplicates Z: 35 26.157 2.104 0.642 0.471 0.882 0.441 CA 1.515 35 residues pruned to eliminate duplicates Z: 36 24.424 2.090 0.659 0.444 0.829 0.514 CB 1.521 36 residues pruned to eliminate duplicates Z: 19 7.281 1.735 0.141 0.408 0.722 0.500 CB 1.322 19 residues pruned to eliminate duplicates Z: 19 11.027 1.678 0.350 0.491 0.889 0.556 CA 1.303 18 residues pruned to eliminate duplicates Z: 6 2.717 1.490 0.698 0.270 0.800 0.200 CB 0.780 6 residues pruned to eliminate duplicates Z: 19 7.393 1.652 0.345 0.424 0.778 0.389 CB 1.092 19 residues pruned to eliminate duplicates Z: 6 7.354 1.855 0.649 0.473 0.800 0.400 CB 1.381 6 residues pruned to eliminate duplicates Z: 36 14.696 2.065 0.489 0.316 0.714 0.429 CB 1.385 36 residues pruned to eliminate duplicates Z: 34 19.601 2.152 0.431 0.351 0.848 0.485 CB 1.536 34 residues pruned to eliminate duplicates Z: 24 19.713 2.107 0.514 0.448 0.826 0.652 CA 1.644 24 residues pruned to eliminate duplicates Z: 38 17.621 2.011 0.486 0.317 0.865 0.459 CB 1.373 18 residues pruned to eliminate duplicates Z: 6 2.652 1.977 0.445 0.465 0.400 0.400 CB 1.075 6 residues pruned to eliminate duplicates Z: 36 16.094 2.070 0.440 0.346 0.743 0.457 CB 1.452 36 residues pruned to eliminate duplicates Z: 11 7.169 2.116 0.343 0.193 0.800 0.400 CA 1.439 11 residues pruned to eliminate duplicates Z: 12 6.112 2.053 0.401 0.149 0.636 0.273 CA 1.550 12 residues pruned to eliminate duplicates Z: 36 15.883 2.067 0.317 0.308 0.829 0.543 CB 1.473 36 residues pruned to eliminate duplicates Z: 36 16.147 2.029 0.325 0.349 0.800 0.514 CA 1.494 36 residues pruned to eliminate duplicates Z: 27 12.502 2.107 0.379 0.291 0.769 0.577 CB 1.386 27 residues pruned to eliminate duplicates Z: 10 8.165 2.255 0.393 0.166 0.889 0.222 CB 1.463 10 residues pruned to eliminate duplicates Z: 30 15.647 2.048 0.504 0.289 0.828 0.483 CB 1.445 30 residues pruned to eliminate duplicates Z: 65 26.982 2.045 0.324 0.392 0.906 0.547 CB 1.541 65 residues pruned to eliminate duplicates Z: 63 27.551 2.070 0.314 0.401 0.935 0.613 CB 1.526 67 residues pruned to eliminate duplicates Z: 6 3.824 1.749 0.750 0.313 0.800 0.800 CA 0.859 6 residues pruned to eliminate duplicates Z: 39 19.880 2.025 0.337 0.403 0.895 0.500 CB 1.474 39 residues pruned to eliminate duplicates Z: 19 13.185 1.989 0.415 0.440 0.833 0.722 CB 1.409 19 residues pruned to eliminate duplicates Z: 29 14.706 2.097 0.393 0.294 0.821 0.429 CB 1.458 29 residues pruned to eliminate duplicates Z: 17 13.893 2.032 0.424 0.451 0.875 0.688 CA 1.443 17 residues pruned to eliminate duplicates Z: 73 26.770 2.038 0.360 0.395 0.875 0.403 CB 1.454 73 residues pruned to eliminate duplicates Z: 27 14.658 2.082 0.345 0.323 0.846 0.423 CA 1.473 27 residues pruned to eliminate duplicates Z: 17 15.037 2.110 0.430 0.421 0.875 0.625 CB 1.546 17 residues pruned to eliminate duplicates Z: 26 16.800 2.079 0.476 0.395 0.800 0.520 CB 1.530 26 residues pruned to eliminate duplicates Z: 17 13.126 2.024 0.537 0.426 0.875 0.688 CA 1.302 17 residues pruned to eliminate duplicates Z: 36 16.480 2.108 0.437 0.314 0.800 0.371 CB 1.412 36 residues pruned to eliminate duplicates Z: 63 25.450 2.070 0.351 0.380 0.871 0.532 CB 1.508 63 residues pruned to eliminate duplicates Z: 56 24.251 2.097 0.498 0.358 0.855 0.509 CB 1.419 56 residues pruned to eliminate duplicates Z: 51 21.985 2.039 0.415 0.374 0.840 0.540 CB 1.469 51 residues pruned to eliminate duplicates Z: 48 22.115 2.060 0.425 0.384 0.830 0.574 CA 1.498 48 residues pruned to eliminate duplicates Z: 64 25.003 2.071 0.331 0.365 0.889 0.540 CB 1.486 64 residues pruned to eliminate duplicates Z: 51 18.630 2.031 0.331 0.338 0.820 0.500 CA 1.418 51 residues pruned to eliminate duplicates Z: 40 23.445 1.970 0.368 0.470 0.949 0.615 CB 1.513 40 residues pruned to eliminate duplicates Z: 24 15.217 1.942 0.347 0.409 0.957 0.565 CA 1.395 24 residues pruned to eliminate duplicates Z: 57 24.480 2.091 0.404 0.392 0.839 0.554 CB 1.488 57 residues pruned to eliminate duplicates Z: 28 13.424 1.925 0.141 0.433 0.889 0.481 CA 1.419 28 residues pruned to eliminate duplicates Z: 40 21.744 2.002 0.360 0.416 0.949 0.513 CB 1.471 40 residues pruned to eliminate duplicates Z: 58 22.324 2.012 0.400 0.340 0.877 0.561 CB 1.424 58 residues pruned to eliminate duplicates Z: 56 23.212 2.106 0.441 0.375 0.782 0.527 CB 1.507 56 residues pruned to eliminate duplicates Z: 44 23.638 2.051 0.257 0.427 0.977 0.628 CB 1.544 44 residues pruned to eliminate duplicates Z: 33 16.000 1.894 0.432 0.422 0.844 0.594 CB 1.340 33 residues pruned to eliminate duplicates Z: 22 15.984 1.974 0.277 0.500 1.000 0.524 CA 1.384 22 residues pruned to eliminate duplicates Z: 17 16.658 2.076 0.463 0.501 0.875 0.438 CA 1.565 17 residues pruned to eliminate duplicates Z: 23 15.773 1.909 0.371 0.492 0.955 0.545 CA 1.356 23 residues pruned to eliminate duplicates Z: 22 17.590 1.948 0.499 0.488 0.952 0.667 CA 1.398 22 residues pruned to eliminate duplicates Z: 38 24.542 2.014 0.361 0.475 1.000 0.676 CB 1.510 38 residues pruned to eliminate duplicates Z: 13 11.299 1.971 0.417 0.521 0.750 0.417 CA 1.526 13 residues pruned to eliminate duplicates Z: 49 21.366 1.955 0.323 0.406 0.896 0.583 CB 1.469 49 residues pruned to eliminate duplicates Z: 68 26.601 2.073 0.365 0.380 0.866 0.582 CB 1.508 68 residues pruned to eliminate duplicates Z: 27 15.880 1.949 0.288 0.466 0.885 0.577 CA 1.451 27 residues pruned to eliminate duplicates Z: 59 23.996 1.942 0.410 0.403 0.897 0.517 CB 1.422 59 residues pruned to eliminate duplicates Z: 15 8.146 1.844 0.418 0.265 0.857 0.500 CA 1.270 15 residues pruned to eliminate duplicates Z: 39 21.810 1.949 0.449 0.443 0.974 0.632 CB 1.364 39 residues pruned to eliminate duplicates Z: 54 29.321 2.034 0.457 0.444 0.906 0.604 CB 1.590 54 residues pruned to eliminate duplicates Z: 16 15.631 2.015 0.591 0.496 1.000 0.533 CB 1.264 16 residues pruned to eliminate duplicates Z: 15 15.442 2.022 0.604 0.516 0.929 0.643 CB 1.348 15 residues pruned to eliminate duplicates Z: 61 22.975 2.003 0.438 0.350 0.833 0.550 CB 1.454 61 residues pruned to eliminate duplicates Z: 15 17.612 2.010 0.591 0.530 1.000 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 66 29.377 2.047 0.450 0.403 0.892 0.600 CB 1.523 66 residues pruned to eliminate duplicates Z: 15 18.739 2.039 0.657 0.550 0.929 0.714 CB 1.519 15 residues pruned to eliminate duplicates Z: 16 15.856 2.077 0.391 0.485 0.933 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 18 18.582 1.990 0.662 0.521 0.941 0.765 CB 1.418 18 residues pruned to eliminate duplicates Z: 65 26.707 2.002 0.475 0.403 0.875 0.562 CB 1.431 65 residues pruned to eliminate duplicates Z: 13 16.569 2.075 0.578 0.559 0.917 0.667 CB 1.504 13 residues pruned to eliminate duplicates Z: 17 11.925 2.008 0.344 0.437 0.750 0.688 CB 1.572 17 residues pruned to eliminate duplicates Z: 72 29.239 2.083 0.478 0.404 0.831 0.535 CB 1.501 72 residues pruned to eliminate duplicates Z: 14 11.242 1.970 0.713 0.460 0.769 0.538 CB 1.251 14 residues pruned to eliminate duplicates Z: 15 9.619 1.921 0.674 0.416 0.786 0.714 CB 1.110 15 residues pruned to eliminate duplicates Z: 12 8.191 1.850 0.538 0.408 0.727 0.455 CB 1.315 12 residues pruned to eliminate duplicates Z: 10 10.109 2.082 0.689 0.335 0.778 0.667 CB 1.475 10 residues pruned to eliminate duplicates Z: 8 9.463 2.037 0.644 0.459 0.714 0.571 CA 1.558 8 residues pruned to eliminate duplicates Z: 42 33.916 2.079 0.738 0.615 0.927 0.634 CB 1.418 42 residues pruned to eliminate duplicates Z: 21 13.441 1.844 0.718 0.470 0.800 0.550 CB 1.223 21 residues pruned to eliminate duplicates Z: 47 32.272 2.087 0.636 0.572 0.913 0.630 CA 1.424 47 residues pruned to eliminate duplicates Z: 57 37.526 2.084 0.675 0.554 0.893 0.643 CB 1.527 57 residues pruned to eliminate duplicates Z: 75 28.380 2.040 0.475 0.392 0.838 0.527 CB 1.467 75 residues pruned to eliminate duplicates Z: 82 47.954 2.124 0.686 0.560 0.926 0.617 CB 1.515 82 residues pruned to eliminate duplicates Z: 40 35.488 2.087 0.767 0.633 0.949 0.769 CA 1.433 40 residues pruned to eliminate duplicates Z: 32 35.800 2.142 0.713 0.708 1.000 0.677 CA 1.450 32 residues pruned to eliminate duplicates Z: 41 36.122 2.110 0.804 0.637 0.925 0.775 CA 1.426 41 residues pruned to eliminate duplicates Z: 48 32.726 2.083 0.647 0.566 0.894 0.574 CA 1.460 48 residues pruned to eliminate duplicates Z: 30 38.257 2.157 0.794 0.778 1.000 0.724 CA 1.437 30 residues pruned to eliminate duplicates Z: 51 38.424 2.103 0.564 0.672 0.980 0.720 CA 1.438 51 residues pruned to eliminate duplicates Z: 76 45.253 2.150 0.669 0.559 0.920 0.693 CB 1.495 76 residues pruned to eliminate duplicates Z: 89 45.063 2.058 0.577 0.547 0.932 0.682 CA 1.518 89 residues pruned to eliminate duplicates Z: 31 36.081 2.155 0.819 0.702 1.000 0.900 CA 1.398 31 residues pruned to eliminate duplicates Z: 83 47.630 2.115 0.636 0.585 0.927 0.659 CB 1.512 83 residues pruned to eliminate duplicates Z: 32 38.269 2.142 0.901 0.732 0.968 0.774 CA 1.416 32 residues pruned to eliminate duplicates Z: 55 40.516 2.097 0.767 0.622 0.907 0.648 CA 1.462 55 residues pruned to eliminate duplicates Z: 31 34.050 2.092 0.731 0.717 0.967 0.633 CA 1.460 31 residues pruned to eliminate duplicates Z: 73 50.573 2.157 0.677 0.642 0.958 0.708 CB 1.506 73 residues pruned to eliminate duplicates Z: 21 40.089 2.258 0.735 0.895 1.000 0.750 CB 1.641 21 residues pruned to eliminate duplicates Z: 76 44.980 2.131 0.686 0.570 0.933 0.587 CB 1.447 76 residues pruned to eliminate duplicates Z: 34 40.680 2.111 0.957 0.726 0.970 0.667 CA 1.441 34 residues pruned to eliminate duplicates Z: 34 38.308 2.134 0.849 0.681 1.000 0.727 CA 1.431 34 residues pruned to eliminate duplicates Z: 31 39.511 2.153 0.941 0.759 0.967 0.700 CA 1.418 31 residues pruned to eliminate duplicates Z: 72 47.223 2.135 0.678 0.612 0.944 0.563 CA 1.490 72 residues pruned to eliminate duplicates Z: 40 35.460 2.095 0.880 0.621 0.897 0.641 CA 1.433 40 residues pruned to eliminate duplicates Z: 31 38.467 2.156 0.852 0.721 1.000 0.667 CA 1.441 31 residues pruned to eliminate duplicates Z: 55 36.556 2.090 0.693 0.549 0.944 0.611 CB 1.419 55 residues pruned to eliminate duplicates Z: 42 38.209 2.116 0.815 0.624 0.927 0.805 CA 1.491 42 residues pruned to eliminate duplicates Z: 74 48.244 2.133 0.690 0.597 0.945 0.644 CB 1.511 74 residues pruned to eliminate duplicates Z: 84 50.146 2.137 0.717 0.581 0.928 0.663 CB 1.496 84 residues pruned to eliminate duplicates Z: 21 40.541 2.214 0.795 0.888 1.000 0.600 CB 1.643 21 residues pruned to eliminate duplicates Z: 40 35.039 2.134 0.592 0.681 0.974 0.667 CA 1.435 40 residues pruned to eliminate duplicates Z: 70 45.828 2.158 0.633 0.590 0.957 0.696 CA 1.501 70 residues pruned to eliminate duplicates Z: 79 49.088 2.166 0.731 0.553 0.923 0.577 CB 1.525 79 residues pruned to eliminate duplicates Z: 44 35.147 2.153 0.559 0.611 0.930 0.488 CB 1.545 44 residues pruned to eliminate duplicates Z: 45 36.672 2.105 0.592 0.676 0.977 0.682 CA 1.435 45 residues pruned to eliminate duplicates Z: 45 35.798 2.133 0.593 0.674 0.977 0.682 CA 1.385 45 residues pruned to eliminate duplicates Z: 53 42.588 2.138 0.743 0.644 0.923 0.635 CA 1.501 53 residues pruned to eliminate duplicates Z: 13 16.704 2.107 0.380 0.712 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 55 44.617 2.112 0.785 0.645 0.944 0.611 CA 1.489 55 residues pruned to eliminate duplicates Z: 53 40.625 2.113 0.739 0.649 0.942 0.615 CA 1.416 53 residues pruned to eliminate duplicates Z: 55 42.215 2.103 0.716 0.639 0.926 0.593 CB 1.509 55 residues pruned to eliminate duplicates Z: 82 49.468 2.133 0.761 0.567 0.926 0.593 CB 1.481 82 residues pruned to eliminate duplicates Z: 35 25.752 2.137 0.758 0.485 0.882 0.471 CB 1.353 35 residues pruned to eliminate duplicates Z: 71 44.025 2.157 0.656 0.564 0.914 0.500 CB 1.514 71 residues pruned to eliminate duplicates Z: 67 43.126 2.151 0.684 0.586 0.924 0.576 CB 1.461 67 residues pruned to eliminate duplicates Z: 79 47.341 2.151 0.773 0.543 0.897 0.551 CB 1.502 79 residues pruned to eliminate duplicates Z: 25 22.945 2.168 0.671 0.520 0.917 0.542 CB 1.382 25 residues pruned to eliminate duplicates Z: 66 47.976 2.165 0.737 0.589 0.954 0.508 CB 1.524 66 residues pruned to eliminate duplicates Z: 28 15.328 2.033 0.763 0.349 0.815 0.556 CB 1.190 28 residues pruned to eliminate duplicates Z: 76 48.490 2.151 0.810 0.555 0.920 0.560 CB 1.482 76 residues pruned to eliminate duplicates Z: 19 13.228 2.105 0.686 0.363 0.889 0.500 CB 1.146 19 residues pruned to eliminate duplicates Z: 38 25.700 2.170 0.502 0.485 0.919 0.459 CB 1.433 38 residues pruned to eliminate duplicates Z: 57 46.242 2.176 0.737 0.600 0.982 0.571 CA 1.514 57 residues pruned to eliminate duplicates Z: 30 28.333 2.161 0.858 0.466 0.931 0.655 CB 1.456 30 residues pruned to eliminate duplicates Z: 7 5.936 1.907 0.539 0.356 0.833 0.500 CA 1.157 7 residues pruned to eliminate duplicates Z: 69 44.898 2.139 0.846 0.566 0.912 0.471 CB 1.419 69 residues pruned to eliminate duplicates Z: 76 44.332 2.095 0.797 0.548 0.907 0.507 CB 1.432 76 residues pruned to eliminate duplicates Z: 30 24.091 2.149 0.719 0.480 0.931 0.517 CB 1.327 30 residues pruned to eliminate duplicates Z: 20 16.557 2.069 0.785 0.314 0.947 0.474 CB 1.333 20 residues pruned to eliminate duplicates Z: 18 20.231 2.109 0.686 0.626 0.882 0.647 CB 1.389 18 residues pruned to eliminate duplicates Z: 73 48.848 2.145 0.737 0.594 0.958 0.639 CB 1.473 73 residues pruned to eliminate duplicates Z: 7 6.529 1.491 0.986 0.395 0.833 0.500 CB 1.207 7 residues pruned to eliminate duplicates Z: 40 24.580 2.127 0.580 0.476 0.846 0.615 CB 1.418 40 residues pruned to eliminate duplicates Z: 30 20.000 2.128 0.696 0.341 0.897 0.552 CB 1.366 30 residues pruned to eliminate duplicates Z: 70 44.219 2.166 0.740 0.538 0.928 0.420 CB 1.466 70 residues pruned to eliminate duplicates Z: 37 26.622 2.127 0.718 0.472 0.889 0.444 CB 1.405 37 residues pruned to eliminate duplicates Z: 19 21.986 2.209 0.725 0.521 0.944 0.556 CB 1.410 21 residues pruned to eliminate duplicates Z: 11 13.477 1.734 0.632 0.757 1.000 0.600 CA 1.198 9 residues pruned to eliminate duplicates Z: 9 15.634 1.878 0.652 0.825 1.000 0.500 CA 1.344 9 residues pruned to eliminate duplicates Z: 31 24.885 2.119 0.807 0.469 0.933 0.600 CB 1.312 31 residues pruned to eliminate duplicates Z: 17 16.937 1.918 0.552 0.632 1.000 0.688 CB 1.256 17 residues pruned to eliminate duplicates Z: 10 15.512 1.943 0.540 0.844 0.889 0.556 CB 1.447 10 residues pruned to eliminate duplicates Z: 10 12.519 1.838 0.535 0.831 0.889 0.778 CA 1.250 10 residues pruned to eliminate duplicates Z: 31 22.948 2.111 0.681 0.456 0.900 0.500 CB 1.372 31 residues pruned to eliminate duplicates Z: 17 5.716 1.712 0.206 0.150 0.875 0.375 CB 1.217 13 residues pruned to eliminate duplicates Z: 6 3.955 1.651 0.208 0.307 1.000 0.400 N 1.098 6 residues pruned to eliminate duplicates Z: 64 41.090 2.051 0.721 0.589 0.921 0.714 CB 1.463 64 residues pruned to eliminate duplicates Z: 23 13.449 1.892 0.715 0.288 0.864 0.455 CA 1.298 23 residues pruned to eliminate duplicates Z: 31 24.026 2.008 0.843 0.453 0.933 0.600 CB 1.333 31 residues pruned to eliminate duplicates Z: 16 14.001 2.023 0.831 0.325 0.867 0.333 CB 1.365 16 residues pruned to eliminate duplicates Z: 20 20.133 2.107 0.979 0.351 0.895 0.579 CA 1.454 20 residues pruned to eliminate duplicates Z: 21 15.698 2.065 0.689 0.283 0.850 0.450 CA 1.513 21 residues pruned to eliminate duplicates Z: 63 40.289 2.075 0.649 0.572 0.919 0.661 CB 1.517 37 residues pruned to eliminate duplicates Z: 6 2.824 1.825 0.220 0.284 0.800 0.800 CA 0.904 Z: 36 31.242 2.106 0.534 0.637 0.914 0.800 CA 1.572 42 residues pruned to eliminate duplicates Z: 6 4.413 1.668 0.848 0.359 1.000 0.600 CA 0.745 6 residues pruned to eliminate duplicates Z: 37 27.908 1.998 0.582 0.637 0.917 0.806 CB 1.412 35 residues pruned to eliminate duplicates Z: 23 25.519 2.033 0.406 0.843 1.000 0.909 CB 1.418 23 residues pruned to eliminate duplicates Z: 31 32.056 2.084 0.768 0.650 0.933 0.700 CB 1.480 31 residues pruned to eliminate duplicates Z: 74 37.957 1.996 0.735 0.516 0.918 0.589 CA 1.376 73 residues pruned to eliminate duplicates Z: 21 33.260 2.021 0.756 0.896 1.000 0.700 CB 1.500 21 residues pruned to eliminate duplicates Z: 64 41.603 2.073 0.782 0.566 0.905 0.476 CB 1.471 65 residues pruned to eliminate duplicates Z: 21 32.501 2.061 0.743 0.907 1.000 0.750 CB 1.439 25 residues pruned to eliminate duplicates Z: 21 32.863 2.076 0.696 0.928 1.000 0.750 CB 1.462 21 residues pruned to eliminate duplicates Z: 35 35.776 2.091 0.770 0.649 0.971 0.794 CB 1.487 33 residues pruned to eliminate duplicates Z: 19 29.658 2.068 0.727 0.921 1.000 0.778 CB 1.378 19 residues pruned to eliminate duplicates Z: 66 38.104 1.986 0.631 0.606 0.969 0.708 CB 1.361 33 residues pruned to eliminate duplicates Z: 21 34.417 2.105 0.927 0.903 0.950 0.750 CB 1.424 21 residues pruned to eliminate duplicates Z: 36 32.998 2.067 0.801 0.598 0.943 0.543 CB 1.447 36 residues pruned to eliminate duplicates Z: 36 31.927 2.079 0.714 0.618 0.914 0.714 CB 1.481 36 residues pruned to eliminate duplicates Z: 38 31.074 2.047 0.650 0.629 0.919 0.568 CB 1.458 38 residues pruned to eliminate duplicates Z: 36 33.469 2.076 0.758 0.645 0.943 0.600 CB 1.436 36 residues pruned to eliminate duplicates Z: 37 30.441 2.068 0.755 0.600 0.861 0.611 CB 1.476 37 residues pruned to eliminate duplicates Z: 36 36.312 2.083 0.900 0.629 0.943 0.600 CB 1.457 36 residues pruned to eliminate duplicates Z: 35 33.101 2.055 0.687 0.646 0.941 0.647 CB 1.519 35 residues pruned to eliminate duplicates Z: 41 29.759 2.034 0.698 0.572 0.925 0.650 CB 1.374 41 residues pruned to eliminate duplicates Z: 28 27.299 2.014 0.725 0.684 0.926 0.630 CB 1.380 28 residues pruned to eliminate duplicates Z: 36 33.840 2.104 0.720 0.637 0.914 0.514 CB 1.520 36 residues pruned to eliminate duplicates Z: 46 40.154 2.055 0.793 0.702 0.956 0.667 CB 1.414 46 residues pruned to eliminate duplicates Z: 42 32.903 2.015 0.712 0.581 0.927 0.634 CB 1.486 42 residues pruned to eliminate duplicates Z: 37 31.035 2.064 0.718 0.601 0.944 0.639 CB 1.403 37 residues pruned to eliminate duplicates Z: 19 14.293 1.838 0.501 0.601 0.833 0.778 CB 1.331 19 residues pruned to eliminate duplicates Z: 49 39.393 2.045 0.819 0.659 0.938 0.625 CB 1.407 49 residues pruned to eliminate duplicates Z: 74 38.243 1.970 0.798 0.551 0.890 0.589 CB 1.350 74 residues pruned to eliminate duplicates Z: 50 38.404 2.024 0.702 0.656 0.980 0.673 CB 1.406 50 residues pruned to eliminate duplicates Z: 30 28.632 2.056 0.905 0.554 0.931 0.621 CB 1.383 30 residues pruned to eliminate duplicates Z: 16 27.050 2.021 1.058 0.685 1.000 0.667 CB 1.417 16 residues pruned to eliminate duplicates Z: 23 14.647 1.828 0.566 0.597 0.864 0.682 CB 1.151 23 residues pruned to eliminate duplicates Z: 35 22.576 1.916 0.668 0.464 0.912 0.529 CB 1.379 35 residues pruned to eliminate duplicates Z: 64 41.032 2.044 0.643 0.578 0.952 0.683 CB 1.499 64 residues pruned to eliminate duplicates Z: 54 42.129 2.020 0.842 0.623 0.925 0.660 CB 1.499 54 residues pruned to eliminate duplicates Z: 16 24.665 1.991 0.992 0.685 1.000 0.600 CA 1.355 16 residues pruned to eliminate duplicates Z: 31 28.814 2.024 0.862 0.526 0.933 0.667 CB 1.457 31 residues pruned to eliminate duplicates Z: 65 43.437 2.040 0.834 0.575 0.953 0.578 CB 1.417 65 residues pruned to eliminate duplicates Z: 64 44.492 2.057 0.787 0.594 0.968 0.651 CB 1.440 64 residues pruned to eliminate duplicates Z: 7 6.390 1.965 0.497 0.505 0.667 0.333 N 1.325 Z: 30 19.979 1.960 0.857 0.348 0.793 0.483 CB 1.515 30 residues pruned to eliminate duplicates 727 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 7 E: 9 F: 6 G: 7 H: 11 I: 6 J: 8 K: 6 L: 26 M: 19 N: 44 O: 33 P: 98 Q: 147 R: 15 S: 156 T: 7 U: 14 V: 63 W: 27 CC for partial structure against native data = 28.14 % ------------------------------------------------------------------------------ Global autotracing cycle 11 = 0.300, Contrast = 0.388, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6566 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1281 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 18.813 2.026 0.447 0.556 0.944 0.778 CB 1.516 B: 11 13.640 1.663 0.601 0.872 1.000 0.800 CB 1.181 C: 34 20.950 2.067 0.484 0.458 0.848 0.606 CB 1.463 D: 34 24.462 2.058 0.554 0.476 0.939 0.455 CB 1.453 35 residues pruned to eliminate duplicates E: 11 12.784 1.973 0.514 0.889 0.900 0.800 CA 1.083 F: 21 21.702 1.985 0.391 0.883 1.000 0.600 CB 1.271 G: 21 40.615 2.262 0.687 0.912 1.000 0.850 CB 1.685 H: 9 15.897 2.028 0.329 0.896 1.000 0.875 CA 1.494 I: 21 29.584 2.123 0.724 0.859 0.800 0.600 CA 1.662 22 residues pruned to eliminate duplicates J: 35 13.875 2.044 0.356 0.313 0.765 0.441 CB 1.382 K: 13 6.045 1.732 0.564 0.425 0.583 0.333 CB 1.193 13 residues pruned to eliminate duplicates L: 22 29.644 2.169 0.439 0.882 0.952 0.762 CB 1.574 21 residues pruned to eliminate duplicates M: 8 14.791 2.050 0.557 0.704 0.857 0.714 CA 1.697 N: 12 5.242 1.723 0.529 0.293 0.818 0.364 CB 0.924 O: 38 22.336 2.114 0.429 0.476 0.838 0.405 CB 1.486 13 residues pruned to eliminate duplicates P: 22 31.987 1.987 0.800 0.873 1.000 0.810 CB 1.422 9 residues pruned to eliminate duplicates Q: 20 25.813 2.008 0.695 0.900 0.947 0.737 CA 1.312 R: 10 11.667 1.851 0.561 0.769 0.778 0.444 CB 1.363 10 residues pruned to eliminate duplicates S: 21 41.772 2.243 0.871 0.935 0.950 0.750 CB 1.632 21 residues pruned to eliminate duplicates T: 24 17.908 2.055 0.410 0.448 0.870 0.565 CB 1.563 7 residues pruned to eliminate duplicates U: 11 21.266 2.090 0.917 0.908 0.900 0.800 CA 1.325 11 residues pruned to eliminate duplicates V: 21 28.565 2.089 0.704 0.902 0.900 0.500 CB 1.422 21 residues pruned to eliminate duplicates W: 29 26.752 2.235 0.759 0.462 0.893 0.607 CB 1.496 X: 29 25.001 2.203 0.702 0.459 0.857 0.429 CB 1.533 29 residues pruned to eliminate duplicates 6 1.317 1.345 0.250 0.100 0.600 0.200 O 0.973 ? Y: 15 8.747 2.006 0.502 0.271 0.786 0.500 CA 1.280 15 residues pruned to eliminate duplicates Z: 10 11.999 1.853 0.603 0.580 0.889 0.444 CB 1.402 Z: 7 2.497 1.633 0.011 0.244 0.667 0.333 C 1.245 7 residues pruned to eliminate duplicates Z: 13 12.308 1.993 0.534 0.324 1.000 0.750 CB 1.409 Z: 15 18.163 2.003 0.635 0.591 0.857 0.571 CB 1.585 7 residues pruned to eliminate duplicates Z: 16 27.899 2.123 0.603 0.913 1.000 0.667 CA 1.498 17 residues pruned to eliminate duplicates Z: 35 27.842 2.051 0.522 0.652 0.941 0.824 CA 1.411 24 residues pruned to eliminate duplicates Z: 10 13.527 1.921 0.382 0.852 0.889 0.778 CB 1.413 9 residues pruned to eliminate duplicates Z: 16 11.165 2.100 0.152 0.500 0.867 0.600 CB 1.374 Z: 22 14.691 1.918 0.568 0.450 0.810 0.619 CB 1.386 18 residues pruned to eliminate duplicates Z: 34 23.070 2.046 0.463 0.486 0.939 0.606 CB 1.448 34 residues pruned to eliminate duplicates Z: 23 16.820 2.098 0.430 0.531 0.818 0.591 CB 1.417 23 residues pruned to eliminate duplicates Z: 84 44.022 2.046 0.595 0.557 0.964 0.614 CA 1.453 51 residues pruned to eliminate duplicates Z: 14 6.219 1.908 0.251 0.386 0.692 0.308 CB 1.178 14 residues pruned to eliminate duplicates Z: 22 33.331 2.007 0.666 0.897 1.000 0.810 CB 1.557 22 residues pruned to eliminate duplicates Z: 13 17.054 1.914 0.785 0.482 0.917 0.750 CB 1.601 10 residues pruned to eliminate duplicates Z: 10 13.459 1.938 0.356 0.798 0.889 0.444 CA 1.480 10 residues pruned to eliminate duplicates Z: 9 8.236 1.625 0.616 0.542 0.875 0.500 CB 1.216 Z: 9 11.786 2.004 0.182 0.843 0.875 0.750 CB 1.497 9 residues pruned to eliminate duplicates Z: 22 44.831 2.154 0.969 0.878 1.000 0.524 CB 1.673 21 residues pruned to eliminate duplicates Z: 24 17.123 2.096 0.385 0.523 0.913 0.609 CB 1.317 24 residues pruned to eliminate duplicates Z: 22 42.110 2.190 0.796 0.930 1.000 0.952 CB 1.633 22 residues pruned to eliminate duplicates Z: 22 33.139 1.994 0.788 0.912 1.000 0.857 CB 1.437 22 residues pruned to eliminate duplicates Z: 21 43.212 2.254 0.809 0.931 1.000 0.700 CA 1.656 22 residues pruned to eliminate duplicates Z: 14 6.917 1.767 0.582 0.326 0.923 0.308 CB 0.900 11 residues pruned to eliminate duplicates Z: 24 15.605 2.005 0.450 0.439 0.826 0.609 CB 1.444 24 residues pruned to eliminate duplicates Z: 14 27.827 2.208 0.807 0.919 0.923 0.769 CB 1.477 14 residues pruned to eliminate duplicates Z: 27 15.003 1.924 0.348 0.365 0.923 0.500 CB 1.421 27 residues pruned to eliminate duplicates Z: 14 9.970 1.842 0.777 0.434 0.846 0.692 CB 1.070 14 residues pruned to eliminate duplicates Z: 72 46.678 2.132 0.713 0.595 0.958 0.634 CB 1.446 48 residues pruned to eliminate duplicates Z: 12 19.369 1.737 0.647 0.926 1.000 0.727 CA 1.431 Z: 11 9.417 1.868 0.578 0.415 0.900 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 80 41.907 2.045 0.579 0.566 0.924 0.608 CA 1.484 80 residues pruned to eliminate duplicates Z: 21 40.917 2.202 0.773 0.908 1.000 0.850 CB 1.664 21 residues pruned to eliminate duplicates Z: 9 17.027 2.120 0.800 0.801 1.000 0.875 CB 1.212 9 residues pruned to eliminate duplicates Z: 21 30.514 1.956 0.749 0.898 1.000 0.700 CB 1.427 21 residues pruned to eliminate duplicates Z: 19 21.538 2.082 0.392 0.888 0.944 0.722 CB 1.337 21 residues pruned to eliminate duplicates Z: 13 11.072 1.936 0.419 0.394 0.917 0.667 CB 1.419 13 residues pruned to eliminate duplicates Z: 22 35.630 2.186 0.615 0.930 1.000 0.810 CB 1.540 22 residues pruned to eliminate duplicates Z: 9 11.926 1.953 0.055 0.895 1.000 0.875 CA 1.468 9 residues pruned to eliminate duplicates Z: 9 12.688 1.889 0.468 0.864 0.875 0.750 CB 1.356 9 residues pruned to eliminate duplicates Z: 20 18.197 1.986 0.447 0.886 0.895 0.579 CB 1.172 20 residues pruned to eliminate duplicates Z: 18 21.560 2.049 0.505 0.884 0.941 0.882 CA 1.302 18 residues pruned to eliminate duplicates Z: 29 24.113 2.046 0.775 0.496 0.893 0.536 CB 1.412 11 residues pruned to eliminate duplicates Z: 21 26.940 2.026 0.389 0.904 1.000 0.950 CB 1.525 22 residues pruned to eliminate duplicates Z: 9 11.074 1.937 0.536 0.645 0.875 0.625 CA 1.313 Z: 22 19.582 1.961 0.315 0.880 1.000 0.810 CB 1.201 21 residues pruned to eliminate duplicates Z: 7 6.877 1.984 0.532 0.518 0.667 0.500 N 1.361 Z: 13 15.010 2.021 0.464 0.822 0.917 0.750 CB 1.208 13 residues pruned to eliminate duplicates Z: 21 30.027 2.041 0.486 0.903 1.000 0.850 CA 1.578 20 residues pruned to eliminate duplicates Z: 9 10.483 1.910 0.396 0.778 0.875 0.625 CA 1.243 9 residues pruned to eliminate duplicates Z: 16 12.034 1.793 0.307 0.621 0.933 0.400 CB 1.267 16 residues pruned to eliminate duplicates Z: 14 28.878 2.180 0.971 0.905 0.923 0.846 CB 1.437 14 residues pruned to eliminate duplicates Z: 27 13.899 1.918 0.320 0.351 0.885 0.538 CA 1.430 27 residues pruned to eliminate duplicates Z: 17 11.718 1.914 0.526 0.417 0.875 0.438 CB 1.251 17 residues pruned to eliminate duplicates Z: 26 22.433 1.996 0.665 0.513 0.960 0.560 CB 1.388 26 residues pruned to eliminate duplicates Z: 37 21.617 2.052 0.474 0.539 0.833 0.556 CB 1.374 37 residues pruned to eliminate duplicates Z: 33 23.431 2.086 0.527 0.475 0.969 0.562 CB 1.377 33 residues pruned to eliminate duplicates Z: 23 21.177 2.082 0.547 0.555 0.955 0.591 CB 1.391 23 residues pruned to eliminate duplicates Z: 16 25.700 2.014 0.872 0.891 0.867 0.600 CA 1.460 16 residues pruned to eliminate duplicates Z: 18 13.057 1.969 0.327 0.492 0.882 0.647 CB 1.384 18 residues pruned to eliminate duplicates Z: 13 13.664 1.944 0.417 0.880 1.000 0.833 CB 1.038 13 residues pruned to eliminate duplicates Z: 9 4.405 1.676 0.021 0.627 0.750 0.250 CB 1.077 Z: 23 29.400 1.962 0.494 0.879 1.000 0.727 CB 1.550 23 residues pruned to eliminate duplicates Z: 7 9.868 2.026 0.762 0.625 0.833 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 21 31.032 1.959 0.679 0.867 1.000 0.800 CB 1.543 21 residues pruned to eliminate duplicates Z: 9 7.640 1.968 0.165 0.506 0.875 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 39 20.880 1.953 0.410 0.456 0.921 0.579 CB 1.396 39 residues pruned to eliminate duplicates Z: 22 19.183 2.048 0.837 0.388 0.905 0.571 CB 1.385 22 residues pruned to eliminate duplicates Z: 9 8.707 1.896 0.592 0.837 1.000 0.625 CA 0.763 9 residues pruned to eliminate duplicates Z: 35 25.508 2.126 0.463 0.512 0.912 0.559 CB 1.524 35 residues pruned to eliminate duplicates Z: 29 26.496 1.957 0.819 0.588 0.964 0.500 CB 1.340 29 residues pruned to eliminate duplicates Z: 51 21.013 1.999 0.429 0.363 0.820 0.520 CA 1.470 41 residues pruned to eliminate duplicates Z: 14 9.676 1.786 0.531 0.405 0.846 0.462 CB 1.282 14 residues pruned to eliminate duplicates Z: 33 21.250 2.044 0.395 0.410 0.938 0.500 CA 1.544 33 residues pruned to eliminate duplicates Z: 73 49.341 2.192 0.671 0.591 0.944 0.472 CB 1.541 73 residues pruned to eliminate duplicates Z: 8 2.840 1.816 0.490 0.327 0.714 0.714 CB 0.671 8 residues pruned to eliminate duplicates Z: 99 44.559 2.037 0.616 0.533 0.888 0.684 CB 1.490 92 residues pruned to eliminate duplicates Z: 15 29.829 2.110 0.929 0.922 1.000 0.857 CA 1.377 15 residues pruned to eliminate duplicates Z: 11 15.411 1.925 0.616 0.833 1.000 0.600 CB 1.175 11 residues pruned to eliminate duplicates Z: 12 16.726 2.058 0.523 0.915 0.909 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 21 34.891 2.222 0.663 0.910 0.950 0.700 CB 1.576 21 residues pruned to eliminate duplicates Z: 26 19.897 2.083 0.680 0.352 0.960 0.600 CB 1.390 26 residues pruned to eliminate duplicates Z: 63 43.109 2.052 0.800 0.546 0.935 0.629 CA 1.514 65 residues pruned to eliminate duplicates Z: 21 36.687 2.232 0.656 0.917 1.000 0.950 CB 1.566 21 residues pruned to eliminate duplicates Z: 17 19.807 2.077 0.344 0.846 0.938 0.500 CB 1.406 17 residues pruned to eliminate duplicates Z: 19 17.751 2.067 0.777 0.488 0.889 0.556 CB 1.298 19 residues pruned to eliminate duplicates Z: 7 2.666 1.561 0.328 0.368 0.667 0.333 CA 0.907 Z: 72 45.226 2.040 0.635 0.597 0.972 0.577 CA 1.509 76 residues pruned to eliminate duplicates Z: 21 45.325 2.258 0.842 0.929 1.000 0.500 CB 1.705 21 residues pruned to eliminate duplicates Z: 13 16.704 2.040 0.477 0.867 1.000 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 50 20.013 1.967 0.258 0.384 0.898 0.571 CB 1.455 50 residues pruned to eliminate duplicates Z: 11 11.059 1.944 0.343 0.460 0.900 0.400 CA 1.551 Z: 21 31.717 2.053 0.838 0.886 1.000 0.500 CB 1.355 21 residues pruned to eliminate duplicates Z: 19 25.949 2.051 0.784 0.901 1.000 0.778 CB 1.193 20 residues pruned to eliminate duplicates Z: 36 15.437 1.950 0.395 0.418 0.771 0.571 CB 1.355 36 residues pruned to eliminate duplicates Z: 7 3.810 1.582 0.179 0.464 0.833 0.500 CB 1.038 Z: 12 8.934 1.729 0.501 0.493 0.909 0.545 CB 1.150 Z: 25 18.444 1.910 0.453 0.472 0.958 0.583 CB 1.456 9 residues pruned to eliminate duplicates Z: 44 27.088 2.049 0.548 0.549 0.907 0.651 CA 1.370 44 residues pruned to eliminate duplicates Z: 16 8.843 1.988 0.181 0.408 0.733 0.467 CA 1.460 16 residues pruned to eliminate duplicates Z: 7 4.998 1.764 0.238 0.437 0.833 0.667 CA 1.197 Z: 14 15.185 1.806 0.720 0.527 0.846 0.615 CA 1.559 Z: 9 9.278 1.940 0.456 0.480 0.750 0.625 CA 1.581 9 residues pruned to eliminate duplicates Z: 30 11.799 1.877 0.246 0.409 0.931 0.655 CB 1.107 Z: 21 9.407 1.805 0.446 0.304 0.800 0.600 CB 1.253 21 residues pruned to eliminate duplicates Z: 21 40.916 2.244 0.741 0.922 1.000 0.800 CA 1.647 21 residues pruned to eliminate duplicates Z: 45 21.139 1.901 0.471 0.419 0.909 0.636 CA 1.363 45 residues pruned to eliminate duplicates Z: 16 11.440 1.929 0.717 0.484 0.733 0.467 CB 1.236 16 residues pruned to eliminate duplicates Z: 11 11.233 1.802 0.134 0.898 1.000 1.000 CB 1.243 11 residues pruned to eliminate duplicates Z: 29 20.991 1.928 0.330 0.600 0.964 0.643 CB 1.459 20 residues pruned to eliminate duplicates Z: 59 35.210 1.975 0.710 0.539 0.879 0.414 CA 1.498 59 residues pruned to eliminate duplicates Z: 25 12.880 1.947 0.269 0.414 0.792 0.542 CA 1.470 25 residues pruned to eliminate duplicates Z: 10 16.749 2.094 0.645 0.830 0.889 0.778 CA 1.371 10 residues pruned to eliminate duplicates Z: 15 11.982 1.920 0.485 0.409 0.929 0.714 CB 1.331 15 residues pruned to eliminate duplicates Z: 35 17.487 1.968 0.564 0.382 0.765 0.500 CA 1.444 35 residues pruned to eliminate duplicates Z: 21 25.415 2.036 0.403 0.899 1.000 0.850 CB 1.422 21 residues pruned to eliminate duplicates Z: 21 22.501 2.021 0.440 0.903 1.000 0.850 CB 1.232 21 residues pruned to eliminate duplicates Z: 38 24.036 2.090 0.475 0.501 0.865 0.541 CB 1.480 38 residues pruned to eliminate duplicates Z: 21 19.627 2.040 0.452 0.649 0.900 0.550 CB 1.432 21 residues pruned to eliminate duplicates Z: 19 22.051 2.030 0.615 0.901 0.944 0.333 CB 1.198 19 residues pruned to eliminate duplicates Z: 11 8.101 1.959 0.259 0.617 0.900 0.900 CB 1.033 11 residues pruned to eliminate duplicates Z: 9 10.013 1.779 0.119 0.869 1.000 0.875 CA 1.299 9 residues pruned to eliminate duplicates Z: 16 30.439 2.044 0.658 0.916 1.000 0.800 CB 1.637 16 residues pruned to eliminate duplicates Z: 6 6.343 1.757 0.615 0.537 0.800 0.400 CB 1.204 6 residues pruned to eliminate duplicates Z: 8 6.082 1.675 0.335 0.601 0.857 0.714 CB 1.089 Z: 15 8.931 1.812 0.364 0.458 0.857 0.571 CB 1.176 15 residues pruned to eliminate duplicates Z: 20 44.103 2.219 0.946 0.912 1.000 0.789 CB 1.659 20 residues pruned to eliminate duplicates Z: 9 10.789 2.173 0.369 0.471 1.000 0.625 CB 1.320 11 residues pruned to eliminate duplicates Z: 10 19.737 1.892 0.588 0.913 1.000 0.889 CA 1.550 10 residues pruned to eliminate duplicates Z: 8 14.111 1.833 0.541 0.891 1.000 0.857 CA 1.357 8 residues pruned to eliminate duplicates Z: 23 13.099 1.810 0.483 0.435 0.864 0.636 CB 1.288 23 residues pruned to eliminate duplicates Z: 16 28.801 2.112 0.676 0.890 1.000 0.800 CA 1.511 16 residues pruned to eliminate duplicates Z: 11 14.996 2.018 0.454 0.608 1.000 0.600 CA 1.458 11 residues pruned to eliminate duplicates Z: 7 5.270 1.539 -0.177 0.740 1.000 0.667 O 1.369 7 residues pruned to eliminate duplicates Z: 34 21.901 2.084 0.437 0.502 0.848 0.545 CB 1.499 34 residues pruned to eliminate duplicates Z: 6 2.721 1.583 0.441 0.357 0.800 0.600 CB 0.778 Z: 16 11.601 1.932 0.425 0.513 1.000 0.467 CB 1.074 Z: 22 37.310 2.150 0.846 0.906 1.000 0.667 CB 1.459 22 residues pruned to eliminate duplicates Z: 6 5.509 1.626 0.708 0.284 1.000 0.800 CA 1.132 5 residues pruned to eliminate duplicates Z: 34 22.507 2.036 0.524 0.483 0.939 0.636 CB 1.368 34 residues pruned to eliminate duplicates Z: 27 14.437 2.028 0.415 0.331 0.808 0.500 CB 1.471 27 residues pruned to eliminate duplicates Z: 16 7.179 1.697 0.438 0.262 0.733 0.333 CA 1.359 16 residues pruned to eliminate duplicates Z: 8 13.253 1.904 0.618 0.687 1.000 0.571 CB 1.370 8 residues pruned to eliminate duplicates Z: 12 10.272 2.098 0.377 0.447 0.818 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 14 20.170 2.174 0.291 0.867 0.923 0.692 CB 1.580 14 residues pruned to eliminate duplicates 6 1.848 1.657 0.061 0.712 0.800 0.600 N 0.485 ? Z: 38 15.232 1.911 0.504 0.417 0.784 0.649 CB 1.212 38 residues pruned to eliminate duplicates Z: 12 16.669 1.844 0.729 0.834 0.909 0.727 CA 1.300 12 residues pruned to eliminate duplicates Z: 19 14.648 1.942 0.168 0.900 0.889 0.722 CB 1.222 19 residues pruned to eliminate duplicates Z: 11 8.092 1.817 0.550 0.473 0.900 0.600 CB 1.038 11 residues pruned to eliminate duplicates Z: 65 35.886 1.990 0.570 0.589 0.938 0.562 CA 1.406 45 residues pruned to eliminate duplicates Z: 22 44.061 2.205 0.865 0.929 1.000 0.857 CB 1.636 22 residues pruned to eliminate duplicates Z: 13 9.161 1.798 0.742 0.419 0.667 0.500 CA 1.378 13 residues pruned to eliminate duplicates Z: 31 10.207 1.827 0.112 0.370 0.933 0.733 CB 1.129 29 residues pruned to eliminate duplicates Z: 29 12.510 1.904 0.241 0.385 0.893 0.679 CB 1.267 32 residues pruned to eliminate duplicates Z: 16 28.415 2.095 0.733 0.930 0.933 0.667 CA 1.514 16 residues pruned to eliminate duplicates Z: 31 11.991 1.629 0.531 0.360 0.867 0.500 CA 1.178 Z: 21 13.971 1.857 0.421 0.454 0.950 0.500 CA 1.305 21 residues pruned to eliminate duplicates Z: 15 13.390 2.053 0.536 0.448 0.857 0.429 CB 1.397 Z: 9 8.308 1.646 0.406 0.694 0.875 0.625 N 1.216 7 residues pruned to eliminate duplicates Z: 8 4.775 1.716 0.343 0.401 0.857 0.571 CA 1.015 8 residues pruned to eliminate duplicates Z: 14 10.227 1.999 0.246 0.544 0.769 0.538 CA 1.418 14 residues pruned to eliminate duplicates Z: 27 15.671 2.020 0.507 0.323 0.885 0.538 CA 1.387 27 residues pruned to eliminate duplicates Z: 21 32.180 2.056 0.929 0.901 1.000 0.650 CB 1.295 21 residues pruned to eliminate duplicates Z: 16 7.872 1.780 0.204 0.421 0.867 0.533 CB 1.188 16 residues pruned to eliminate duplicates Z: 18 31.074 2.113 0.935 0.894 0.941 0.706 CA 1.404 18 residues pruned to eliminate duplicates Z: 21 34.118 2.040 0.731 0.896 1.000 0.700 CB 1.547 21 residues pruned to eliminate duplicates Z: 16 12.304 2.045 0.296 0.454 0.800 0.667 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 8.168 1.908 0.767 0.488 0.714 0.571 CB 1.298 Z: 22 38.685 2.140 0.865 0.923 1.000 0.952 CB 1.487 22 residues pruned to eliminate duplicates Z: 32 16.093 1.843 0.598 0.386 0.839 0.484 CB 1.320 32 residues pruned to eliminate duplicates Z: 28 16.428 2.000 0.497 0.418 0.852 0.519 CB 1.350 14 residues pruned to eliminate duplicates Z: 25 11.750 1.952 0.200 0.449 0.917 0.667 CB 1.177 25 residues pruned to eliminate duplicates Z: 36 17.938 1.972 0.431 0.456 0.829 0.600 CB 1.356 36 residues pruned to eliminate duplicates Z: 19 22.551 2.004 0.552 0.897 0.944 0.667 CB 1.295 19 residues pruned to eliminate duplicates Z: 12 12.832 1.825 0.602 0.504 1.000 0.545 CA 1.318 Z: 13 17.188 1.973 0.768 0.807 0.917 0.583 CB 1.187 13 residues pruned to eliminate duplicates Z: 24 26.985 1.773 0.787 0.886 0.913 0.522 CB 1.403 24 residues pruned to eliminate duplicates Z: 12 4.691 1.902 -0.106 0.316 0.818 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 27 18.376 1.989 0.714 0.385 0.808 0.538 CB 1.478 28 residues pruned to eliminate duplicates Z: 8 6.487 1.952 0.390 0.730 0.714 0.714 CB 1.029 Z: 7 6.072 1.913 0.265 0.424 1.000 0.667 CA 1.109 7 residues pruned to eliminate duplicates Z: 35 19.120 1.941 0.481 0.411 0.882 0.529 CB 1.419 30 residues pruned to eliminate duplicates Z: 19 12.854 1.872 0.529 0.451 0.833 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 15 19.164 2.175 0.623 0.878 0.929 0.429 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 9.973 1.940 0.465 0.510 0.800 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 23 12.207 2.056 0.349 0.345 0.818 0.455 CB 1.358 23 residues pruned to eliminate duplicates Z: 35 20.372 1.980 0.447 0.469 0.882 0.559 CA 1.427 35 residues pruned to eliminate duplicates Z: 18 20.746 2.091 0.267 0.882 1.000 0.824 CB 1.375 18 residues pruned to eliminate duplicates Z: 16 9.863 1.941 0.425 0.517 0.867 0.400 CB 1.044 16 residues pruned to eliminate duplicates Z: 9 4.645 1.656 0.588 0.274 0.875 0.375 CA 0.922 9 residues pruned to eliminate duplicates Z: 7 9.958 1.938 -0.009 0.895 1.000 0.833 CB 1.518 7 residues pruned to eliminate duplicates Z: 17 27.385 2.055 0.610 0.900 1.000 0.812 CA 1.479 17 residues pruned to eliminate duplicates Z: 59 41.159 2.068 0.662 0.601 0.948 0.569 CA 1.506 59 residues pruned to eliminate duplicates Z: 8 13.809 1.893 0.659 0.853 0.857 0.714 CA 1.433 8 residues pruned to eliminate duplicates Z: 27 11.571 1.744 0.392 0.403 0.846 0.462 CB 1.222 27 residues pruned to eliminate duplicates Z: 22 13.525 1.937 0.472 0.435 0.905 0.571 CB 1.223 22 residues pruned to eliminate duplicates Z: 6 6.985 1.691 0.148 0.648 1.000 0.800 CB 1.402 Z: 10 6.187 1.699 0.451 0.471 0.667 0.556 CA 1.292 Z: 34 12.491 2.048 0.369 0.306 0.758 0.515 CB 1.271 27 residues pruned to eliminate duplicates Z: 12 15.103 1.938 0.508 0.680 0.818 0.455 CB 1.614 12 residues pruned to eliminate duplicates Z: 21 8.552 1.717 0.309 0.371 0.800 0.500 CB 1.221 11 residues pruned to eliminate duplicates Z: 77 40.283 2.074 0.611 0.514 0.921 0.474 CA 1.481 77 residues pruned to eliminate duplicates Z: 16 5.626 1.545 0.245 0.408 0.800 0.533 CB 1.040 11 residues pruned to eliminate duplicates Z: 21 29.570 2.008 0.584 0.904 1.000 0.950 CB 1.480 21 residues pruned to eliminate duplicates Z: 7 8.377 1.651 1.034 0.513 0.833 0.667 N 1.206 Z: 15 11.052 2.004 0.486 0.395 0.786 0.500 CB 1.411 13 residues pruned to eliminate duplicates Z: 23 28.760 1.933 0.576 0.878 1.000 0.727 CB 1.460 23 residues pruned to eliminate duplicates Z: 12 5.896 1.832 0.308 0.292 0.818 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 30 15.935 2.021 0.439 0.289 0.862 0.517 CB 1.496 30 residues pruned to eliminate duplicates Z: 28 19.048 2.100 0.717 0.337 0.852 0.407 CB 1.427 28 residues pruned to eliminate duplicates Z: 38 25.447 2.128 0.512 0.490 0.865 0.568 CB 1.518 38 residues pruned to eliminate duplicates Z: 50 35.821 2.023 0.716 0.564 0.918 0.735 CB 1.509 50 residues pruned to eliminate duplicates Z: 43 30.527 2.037 0.526 0.653 0.905 0.548 CA 1.453 43 residues pruned to eliminate duplicates Z: 22 42.970 2.170 0.944 0.906 1.000 0.810 CB 1.581 22 residues pruned to eliminate duplicates Z: 22 35.832 1.975 1.105 0.881 1.000 0.571 CB 1.361 22 residues pruned to eliminate duplicates Z: 64 36.331 2.060 0.632 0.556 0.889 0.444 CB 1.450 64 residues pruned to eliminate duplicates Z: 16 7.720 1.706 0.130 0.429 0.867 0.533 CB 1.284 16 residues pruned to eliminate duplicates Z: 21 31.767 2.088 0.863 0.921 0.900 0.500 CB 1.427 21 residues pruned to eliminate duplicates Z: 17 11.695 1.962 0.246 0.487 0.875 0.500 CB 1.385 17 residues pruned to eliminate duplicates Z: 24 12.497 1.804 0.529 0.357 0.870 0.478 CB 1.268 25 residues pruned to eliminate duplicates Z: 10 10.345 2.077 0.162 0.793 1.000 0.667 CB 1.106 10 residues pruned to eliminate duplicates Z: 14 4.525 1.676 0.253 0.256 0.769 0.615 CB 1.027 Z: 12 9.094 1.748 0.301 0.471 0.909 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 81 38.865 2.087 0.522 0.457 0.900 0.575 CB 1.588 88 residues pruned to eliminate duplicates Z: 12 14.991 1.962 0.456 0.572 1.000 0.636 CB 1.476 12 residues pruned to eliminate duplicates Z: 13 14.487 1.862 0.483 0.861 0.917 0.750 CA 1.214 13 residues pruned to eliminate duplicates Z: 10 12.508 2.076 0.299 0.862 1.000 0.889 CB 1.134 10 residues pruned to eliminate duplicates Z: 43 36.978 2.046 0.664 0.637 1.000 0.833 CB 1.474 43 residues pruned to eliminate duplicates Z: 10 8.121 1.788 0.429 0.546 0.889 0.556 CB 1.139 11 residues pruned to eliminate duplicates Z: 16 14.766 1.895 0.797 0.521 0.800 0.733 CA 1.370 16 residues pruned to eliminate duplicates Z: 11 9.272 1.725 0.359 0.538 1.000 0.400 CB 1.205 15 residues pruned to eliminate duplicates Z: 13 13.913 1.901 0.373 0.698 0.917 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 18 19.719 2.082 0.222 0.869 0.941 0.706 CB 1.458 18 residues pruned to eliminate duplicates Z: 35 19.805 1.979 0.505 0.463 0.882 0.618 CB 1.341 35 residues pruned to eliminate duplicates Z: 11 11.793 1.931 0.338 0.704 0.900 0.800 CB 1.332 2 residues pruned to eliminate duplicates Z: 14 6.412 1.676 0.584 0.370 0.769 0.462 CA 1.001 12 residues pruned to eliminate duplicates Z: 12 9.338 1.878 0.369 0.458 0.909 0.455 CB 1.259 12 residues pruned to eliminate duplicates Z: 13 9.922 1.970 0.287 0.401 0.917 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 13 14.211 2.068 0.509 0.811 0.917 0.500 CB 1.094 13 residues pruned to eliminate duplicates Z: 10 8.972 1.772 0.518 0.703 1.000 1.000 N 0.924 Z: 7 9.906 1.979 0.703 0.597 0.833 0.667 CB 1.312 8 residues pruned to eliminate duplicates Z: 18 22.727 2.069 0.637 0.736 0.941 0.765 CB 1.399 18 residues pruned to eliminate duplicates Z: 10 12.188 1.982 0.525 0.573 0.889 0.667 CA 1.409 10 residues pruned to eliminate duplicates Z: 8 10.419 1.850 0.414 0.622 1.000 0.714 CB 1.342 6 residues pruned to eliminate duplicates Z: 30 14.331 1.847 0.500 0.413 0.828 0.621 CA 1.272 30 residues pruned to eliminate duplicates Z: 13 7.016 1.672 0.529 0.397 0.750 0.250 CB 1.178 13 residues pruned to eliminate duplicates Z: 25 13.280 1.851 0.508 0.402 0.833 0.583 CB 1.292 25 residues pruned to eliminate duplicates Z: 14 13.570 2.068 0.751 0.390 0.769 0.538 CB 1.518 14 residues pruned to eliminate duplicates Z: 24 14.959 2.019 0.408 0.453 0.783 0.348 CB 1.470 24 residues pruned to eliminate duplicates Z: 6 6.315 1.583 0.169 0.854 1.000 0.800 CB 1.126 6 residues pruned to eliminate duplicates Z: 18 15.462 1.753 1.012 0.588 0.882 0.529 CB 1.107 18 residues pruned to eliminate duplicates Z: 31 15.004 2.022 0.354 0.322 0.867 0.433 CB 1.405 31 residues pruned to eliminate duplicates Z: 23 12.621 1.873 0.337 0.433 0.864 0.500 CA 1.335 23 residues pruned to eliminate duplicates Z: 17 10.508 1.807 0.216 0.584 0.875 0.562 CB 1.261 17 residues pruned to eliminate duplicates Z: 14 9.500 1.931 0.306 0.439 0.923 0.615 CA 1.204 14 residues pruned to eliminate duplicates Z: 10 13.928 2.210 0.143 0.845 1.000 0.889 CB 1.367 10 residues pruned to eliminate duplicates Z: 43 15.824 1.834 0.396 0.436 0.881 0.548 CB 1.156 41 residues pruned to eliminate duplicates Z: 12 11.274 1.919 0.375 0.585 0.909 0.727 CB 1.306 13 residues pruned to eliminate duplicates Z: 10 11.931 1.599 0.648 0.916 1.000 1.000 CA 1.066 15 residues pruned to eliminate duplicates Z: 9 11.125 1.516 0.842 0.594 1.000 0.625 CB 1.288 Z: 11 8.685 1.995 0.314 0.540 1.000 0.900 CA 1.007 11 residues pruned to eliminate duplicates Z: 7 4.260 1.423 0.455 0.542 0.833 0.833 CA 0.967 7 residues pruned to eliminate duplicates Z: 66 41.194 2.063 0.652 0.600 0.923 0.492 CA 1.476 66 residues pruned to eliminate duplicates Z: 18 16.195 2.153 0.756 0.399 0.824 0.588 CB 1.404 18 residues pruned to eliminate duplicates Z: 13 9.111 1.838 0.412 0.499 0.833 0.500 CA 1.216 13 residues pruned to eliminate duplicates Z: 37 22.312 2.037 0.477 0.473 0.889 0.500 CB 1.430 37 residues pruned to eliminate duplicates Z: 10 5.239 1.843 0.493 0.558 0.667 0.333 CB 0.900 8 residues pruned to eliminate duplicates Z: 34 19.784 2.128 0.442 0.499 0.848 0.485 CB 1.324 34 residues pruned to eliminate duplicates Z: 58 39.337 2.020 0.761 0.573 0.930 0.579 CB 1.468 54 residues pruned to eliminate duplicates Z: 9 3.832 1.609 0.445 0.406 0.625 0.375 CB 1.029 Z: 16 8.701 1.874 0.355 0.371 0.733 0.533 CB 1.385 16 residues pruned to eliminate duplicates Z: 35 21.420 1.981 0.532 0.463 0.912 0.618 CB 1.379 34 residues pruned to eliminate duplicates Z: 17 23.890 2.012 0.771 0.871 0.938 0.500 CA 1.304 17 residues pruned to eliminate duplicates Z: 6 5.801 1.630 0.356 0.597 1.000 0.800 CB 1.070 6 residues pruned to eliminate duplicates Z: 7 12.040 1.926 0.354 0.716 1.000 0.833 CA 1.551 7 residues pruned to eliminate duplicates Z: 65 44.591 2.032 0.776 0.602 0.938 0.609 CA 1.496 55 residues pruned to eliminate duplicates Z: 20 42.908 2.270 0.827 0.917 1.000 0.579 CB 1.675 20 residues pruned to eliminate duplicates Z: 10 6.251 1.678 0.275 0.544 0.778 0.556 CA 1.200 Z: 10 13.150 1.885 0.237 0.891 1.000 1.000 CA 1.351 10 residues pruned to eliminate duplicates Z: 33 18.467 2.037 0.348 0.456 0.875 0.688 CA 1.422 33 residues pruned to eliminate duplicates Z: 8 9.805 1.528 1.051 0.800 0.857 0.571 CB 1.061 Z: 11 14.908 1.878 0.760 0.767 1.000 0.900 CB 1.125 9 residues pruned to eliminate duplicates Z: 26 17.762 1.983 0.321 0.422 0.960 0.560 CA 1.532 26 residues pruned to eliminate duplicates Z: 75 50.527 2.146 0.695 0.600 0.946 0.608 CA 1.552 75 residues pruned to eliminate duplicates Z: 23 10.974 1.907 0.416 0.354 0.864 0.500 CB 1.175 23 residues pruned to eliminate duplicates Z: 9 9.618 1.976 0.324 0.448 0.875 0.500 CA 1.566 9 residues pruned to eliminate duplicates Z: 23 17.191 1.919 0.416 0.485 0.955 0.591 CA 1.434 23 residues pruned to eliminate duplicates Z: 6 13.376 1.973 0.561 0.807 1.000 0.800 CA 1.486 8 residues pruned to eliminate duplicates Z: 18 19.735 2.074 0.587 0.892 0.882 0.412 CB 1.184 18 residues pruned to eliminate duplicates Z: 34 18.458 2.110 0.512 0.337 0.818 0.515 CB 1.472 34 residues pruned to eliminate duplicates Z: 9 8.619 1.890 0.474 0.612 0.750 0.750 CA 1.311 9 residues pruned to eliminate duplicates Z: 10 10.977 1.908 0.646 0.734 0.889 0.889 CB 1.062 10 residues pruned to eliminate duplicates Z: 7 5.494 1.689 0.649 0.379 0.833 0.333 CB 1.099 Z: 11 8.185 1.692 0.330 0.529 0.900 0.700 CA 1.241 10 residues pruned to eliminate duplicates Z: 9 2.848 1.596 0.494 0.291 0.625 0.500 CB 0.854 9 residues pruned to eliminate duplicates Z: 7 3.849 1.156 0.689 0.818 0.833 0.667 CA 0.733 7 residues pruned to eliminate duplicates Z: 6 3.645 1.351 0.499 0.446 0.800 0.800 C 1.064 Z: 27 22.062 1.932 0.819 0.558 0.885 0.423 CA 1.316 27 residues pruned to eliminate duplicates Z: 66 37.585 2.019 0.581 0.621 0.908 0.646 CA 1.435 67 residues pruned to eliminate duplicates Z: 9 9.682 1.932 0.647 0.451 0.875 0.625 CA 1.294 9 residues pruned to eliminate duplicates Z: 8 8.126 1.845 0.615 0.498 0.857 0.714 CB 1.205 8 residues pruned to eliminate duplicates Z: 8 6.139 1.562 0.328 0.577 0.857 0.714 CB 1.212 8 residues pruned to eliminate duplicates Z: 7 8.839 1.878 0.362 0.559 0.833 0.833 C 1.599 7 residues pruned to eliminate duplicates Z: 13 5.899 1.604 0.249 0.398 0.833 0.250 N 1.136 13 residues pruned to eliminate duplicates Z: 19 27.668 2.072 0.922 0.868 0.889 0.611 CA 1.346 19 residues pruned to eliminate duplicates Z: 30 12.908 1.924 0.370 0.324 0.828 0.552 CB 1.334 33 residues pruned to eliminate duplicates Z: 33 15.452 2.083 0.396 0.349 0.812 0.500 CB 1.363 33 residues pruned to eliminate duplicates Z: 10 16.558 2.082 0.650 0.859 0.889 0.667 CA 1.330 10 residues pruned to eliminate duplicates Z: 22 17.224 1.882 0.364 0.841 0.952 0.714 CB 1.146 22 residues pruned to eliminate duplicates Z: 11 3.109 1.642 0.190 0.484 0.800 0.600 CB 0.639 Z: 9 14.159 1.945 0.471 0.786 0.875 0.750 CA 1.556 9 residues pruned to eliminate duplicates Z: 14 9.862 1.844 0.223 0.464 1.000 0.538 CB 1.258 15 residues pruned to eliminate duplicates Z: 6 8.059 1.646 0.656 0.576 1.000 0.800 CA 1.228 6 residues pruned to eliminate duplicates Z: 6 5.354 1.695 0.097 0.544 1.000 0.800 CA 1.233 6 residues pruned to eliminate duplicates Z: 10 6.909 1.762 0.399 0.516 0.778 0.556 CB 1.182 10 residues pruned to eliminate duplicates Z: 13 7.880 1.646 0.403 0.440 0.833 0.500 CB 1.257 12 residues pruned to eliminate duplicates Z: 7 4.205 1.828 0.790 0.583 0.667 0.667 CB 0.727 7 residues pruned to eliminate duplicates Z: 11 6.633 1.742 0.660 0.484 0.700 0.500 CB 1.053 11 residues pruned to eliminate duplicates Z: 7 5.096 1.888 0.105 0.530 0.833 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 20 33.476 2.121 0.976 0.932 0.947 0.632 CB 1.351 20 residues pruned to eliminate duplicates Z: 29 14.882 1.924 0.314 0.420 0.964 0.714 CB 1.254 29 residues pruned to eliminate duplicates Z: 21 9.031 1.855 0.186 0.342 0.900 0.400 CB 1.211 14 residues pruned to eliminate duplicates Z: 16 5.481 1.559 0.608 0.322 0.800 0.533 CB 0.858 21 residues pruned to eliminate duplicates Z: 9 2.304 1.501 0.311 0.187 0.750 0.375 CB 0.803 Z: 8 4.805 1.856 0.096 0.428 0.857 0.571 CA 1.122 8 residues pruned to eliminate duplicates Z: 10 14.481 1.916 0.733 0.548 1.000 0.667 CA 1.386 10 residues pruned to eliminate duplicates Z: 56 35.332 2.029 0.675 0.502 0.927 0.673 CB 1.509 56 residues pruned to eliminate duplicates Z: 9 7.884 1.672 0.441 0.572 0.875 0.250 CA 1.233 Z: 12 6.321 1.644 0.611 0.299 0.727 0.455 CA 1.239 12 residues pruned to eliminate duplicates Z: 8 10.162 1.840 0.769 0.575 0.857 0.286 CB 1.280 8 residues pruned to eliminate duplicates Z: 9 8.855 2.015 0.690 0.383 0.750 0.625 CB 1.388 Z: 13 9.282 1.840 0.292 0.459 0.917 0.750 CB 1.281 13 residues pruned to eliminate duplicates Z: 10 16.072 1.757 0.721 0.846 1.000 0.444 CA 1.316 9 residues pruned to eliminate duplicates Z: 10 5.370 1.451 0.361 0.478 0.889 0.556 N 1.043 Z: 50 36.312 2.027 0.677 0.606 0.959 0.612 CA 1.439 50 residues pruned to eliminate duplicates Z: 21 35.651 2.146 0.825 0.869 0.950 0.650 CA 1.565 21 residues pruned to eliminate duplicates Z: 12 9.183 1.816 0.493 0.565 0.818 0.818 CB 1.172 12 residues pruned to eliminate duplicates Z: 8 6.686 1.643 0.331 0.723 1.000 0.429 CA 0.946 8 residues pruned to eliminate duplicates Z: 6 3.980 1.454 0.437 0.652 0.800 0.800 C 0.925 6 residues pruned to eliminate duplicates Z: 6 2.764 1.497 -0.028 0.581 0.800 0.800 N 0.982 Z: 14 8.638 1.975 0.464 0.323 0.769 0.538 CA 1.308 14 residues pruned to eliminate duplicates Z: 13 8.415 2.015 0.416 0.445 0.750 0.417 CB 1.202 13 residues pruned to eliminate duplicates Z: 9 6.292 1.823 -0.090 0.462 1.000 0.625 CB 1.395 9 residues pruned to eliminate duplicates Z: 17 21.935 2.028 0.686 0.863 0.875 0.500 CA 1.345 17 residues pruned to eliminate duplicates Z: 14 25.416 2.113 0.802 0.912 1.000 0.769 CA 1.311 14 residues pruned to eliminate duplicates Z: 7 2.207 1.247 0.632 0.687 0.667 0.500 CB 0.559 7 residues pruned to eliminate duplicates Z: 11 5.604 1.805 0.067 0.357 0.900 0.400 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 8.180 1.813 0.217 0.693 1.000 0.833 CB 1.269 8 residues pruned to eliminate duplicates Z: 13 7.390 1.778 0.313 0.326 0.917 0.333 CA 1.207 Z: 53 44.783 2.160 0.678 0.637 0.981 0.558 CB 1.537 53 residues pruned to eliminate duplicates Z: 29 12.536 1.937 0.169 0.382 0.929 0.536 CB 1.278 29 residues pruned to eliminate duplicates Z: 34 20.179 2.044 0.427 0.474 0.909 0.576 CB 1.360 34 residues pruned to eliminate duplicates Z: 18 27.492 2.129 0.597 0.918 1.000 0.765 CB 1.383 18 residues pruned to eliminate duplicates 7 1.564 1.481 0.030 0.436 0.833 0.667 CB 0.536 ? Z: 10 11.897 1.646 0.635 0.907 1.000 0.667 CA 1.047 10 residues pruned to eliminate duplicates Z: 7 7.936 1.874 0.702 0.602 0.833 0.833 CB 1.106 7 residues pruned to eliminate duplicates Z: 65 42.690 2.063 0.652 0.604 0.953 0.531 CA 1.488 65 residues pruned to eliminate duplicates Z: 9 11.789 1.778 0.819 0.820 0.875 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 11 5.888 1.780 0.446 0.424 0.700 0.400 CB 1.118 Z: 25 26.430 2.018 0.580 0.737 0.958 0.625 CA 1.427 25 residues pruned to eliminate duplicates Z: 12 9.239 1.827 0.538 0.505 0.818 0.545 CA 1.207 12 residues pruned to eliminate duplicates Z: 10 12.427 1.849 0.664 0.582 0.778 0.778 CA 1.599 10 residues pruned to eliminate duplicates Z: 14 7.450 1.760 0.416 0.394 0.769 0.615 CA 1.206 14 residues pruned to eliminate duplicates Z: 62 23.932 1.940 0.507 0.427 0.852 0.525 CB 1.327 82 residues pruned to eliminate duplicates Z: 6 4.599 1.565 -0.143 0.807 1.000 0.800 O 1.173 Z: 38 17.487 1.954 0.385 0.432 0.811 0.595 CB 1.405 38 residues pruned to eliminate duplicates Z: 7 8.231 1.552 0.719 0.768 1.000 0.667 CB 0.993 7 residues pruned to eliminate duplicates Z: 17 20.253 2.055 0.484 0.795 1.000 0.750 CB 1.282 17 residues pruned to eliminate duplicates Z: 19 29.537 2.004 0.924 0.897 0.944 0.722 CA 1.368 19 residues pruned to eliminate duplicates Z: 8 10.927 1.922 0.675 0.517 0.857 0.571 CA 1.472 9 residues pruned to eliminate duplicates Z: 8 4.564 1.711 0.125 0.365 1.000 0.571 CA 1.037 8 residues pruned to eliminate duplicates Z: 19 21.368 1.958 0.694 0.942 0.889 0.500 CB 1.185 19 residues pruned to eliminate duplicates Z: 11 4.463 1.500 0.364 0.494 0.700 0.500 CB 0.991 6 residues pruned to eliminate duplicates Z: 16 9.738 1.742 0.633 0.412 0.800 0.600 CB 1.211 16 residues pruned to eliminate duplicates Z: 22 41.535 2.154 0.859 0.910 1.000 0.571 CB 1.605 22 residues pruned to eliminate duplicates Z: 13 10.582 1.713 0.780 0.416 0.833 0.417 CB 1.312 13 residues pruned to eliminate duplicates Z: 7 9.403 1.926 0.831 0.544 0.833 0.833 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 6.782 1.455 0.410 0.707 1.000 0.857 CA 1.035 8 residues pruned to eliminate duplicates Z: 7 2.652 1.510 0.171 0.610 0.833 0.833 CB 0.662 Z: 22 12.528 1.809 0.431 0.481 0.905 0.476 CB 1.190 22 residues pruned to eliminate duplicates Z: 6 9.404 1.848 0.208 0.718 1.000 0.800 CA 1.547 8 residues pruned to eliminate duplicates Z: 6 3.730 1.720 -0.091 0.637 0.800 0.800 C 1.173 Z: 6 7.657 1.599 1.001 0.637 0.800 0.800 N 1.176 Z: 18 30.095 2.046 0.971 0.935 1.000 0.529 CB 1.261 18 residues pruned to eliminate duplicates Z: 12 6.475 1.637 0.294 0.390 0.909 0.727 CB 1.139 12 residues pruned to eliminate duplicates Z: 9 8.092 1.950 0.451 0.613 1.000 0.750 CA 0.908 9 residues pruned to eliminate duplicates Z: 15 10.186 1.735 0.646 0.351 0.786 0.500 CA 1.424 15 residues pruned to eliminate duplicates Z: 13 18.161 2.020 0.580 0.809 0.917 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 63 37.636 2.032 0.722 0.521 0.919 0.613 CA 1.456 37 residues pruned to eliminate duplicates Z: 6 3.636 1.376 0.469 0.490 0.800 0.600 N 1.015 Z: 20 17.967 2.134 0.487 0.565 0.842 0.632 CB 1.449 20 residues pruned to eliminate duplicates Z: 6 3.213 1.448 0.306 0.298 0.800 0.400 N 1.190 Z: 37 23.064 2.119 0.506 0.494 0.889 0.444 CB 1.364 37 residues pruned to eliminate duplicates Z: 13 8.431 1.675 0.615 0.424 0.833 0.500 CB 1.169 13 residues pruned to eliminate duplicates 6 1.625 1.079 0.789 0.520 0.600 0.600 O 0.615 ? Z: 28 20.296 2.145 0.323 0.518 0.926 0.630 CB 1.461 28 residues pruned to eliminate duplicates Z: 11 8.560 2.198 0.176 0.369 0.900 0.400 CB 1.338 11 residues pruned to eliminate duplicates Z: 18 22.390 2.088 0.513 0.859 0.882 0.588 CB 1.433 18 residues pruned to eliminate duplicates Z: 11 16.010 2.033 0.883 0.466 0.900 0.700 CB 1.520 11 residues pruned to eliminate duplicates Z: 15 7.732 1.714 0.490 0.286 0.929 0.571 CB 1.109 15 residues pruned to eliminate duplicates Z: 9 8.964 1.979 -0.114 0.819 0.875 0.500 CA 1.565 9 residues pruned to eliminate duplicates Z: 18 13.864 1.903 0.564 0.406 0.941 0.529 CB 1.326 18 residues pruned to eliminate duplicates Z: 13 7.770 1.781 0.491 0.476 0.917 0.583 CA 0.944 13 residues pruned to eliminate duplicates Z: 11 10.290 1.568 0.733 0.862 0.900 0.500 CB 0.977 19 residues pruned to eliminate duplicates Z: 22 33.705 2.016 0.706 0.929 1.000 0.952 CB 1.497 22 residues pruned to eliminate duplicates Z: 7 7.860 1.334 0.725 0.797 1.000 0.833 CA 1.075 Z: 14 10.252 1.925 0.462 0.473 0.846 0.769 CB 1.228 14 residues pruned to eliminate duplicates Z: 7 3.647 1.305 0.641 0.406 0.833 0.667 CA 0.921 Z: 7 13.900 2.052 0.664 0.893 0.833 0.333 CB 1.432 7 residues pruned to eliminate duplicates Z: 8 3.995 1.603 0.191 0.267 0.857 0.429 CA 1.203 Z: 7 5.611 1.543 0.515 0.478 0.833 0.667 N 1.203 Z: 21 19.003 2.042 0.806 0.386 0.900 0.550 CA 1.446 21 residues pruned to eliminate duplicates Z: 61 43.853 1.987 0.753 0.639 1.000 0.783 CB 1.427 37 residues pruned to eliminate duplicates 6 1.810 1.612 0.172 0.385 0.800 0.800 CB 0.605 ? Z: 13 3.374 1.464 0.431 0.124 0.667 0.500 CB 1.118 8 residues pruned to eliminate duplicates Z: 8 2.539 1.345 0.397 0.315 0.714 0.429 C 0.878 Z: 6 3.071 1.440 0.385 0.372 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 21 8.706 1.832 0.354 0.300 0.800 0.400 CB 1.226 21 residues pruned to eliminate duplicates Z: 6 5.218 1.635 0.305 0.444 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 75 33.856 1.984 0.489 0.539 0.878 0.649 CB 1.459 75 residues pruned to eliminate duplicates Z: 15 6.435 1.722 0.182 0.316 0.857 0.643 CB 1.207 15 residues pruned to eliminate duplicates Z: 12 8.625 1.730 0.515 0.337 0.909 0.364 CA 1.304 12 residues pruned to eliminate duplicates Z: 25 23.413 2.047 0.332 0.683 0.958 0.750 CB 1.546 25 residues pruned to eliminate duplicates Z: 48 19.351 2.076 0.419 0.349 0.787 0.511 CB 1.434 48 residues pruned to eliminate duplicates Z: 12 9.140 1.702 0.566 0.448 0.818 0.727 CA 1.332 12 residues pruned to eliminate duplicates Z: 11 13.130 2.022 0.730 0.800 0.800 0.600 CA 1.142 11 residues pruned to eliminate duplicates Z: 29 14.069 1.883 0.348 0.390 0.929 0.714 CB 1.267 30 residues pruned to eliminate duplicates Z: 10 2.559 1.428 0.073 0.243 0.778 0.333 CB 0.962 10 residues pruned to eliminate duplicates Z: 17 10.247 1.902 0.290 0.392 1.000 0.625 CA 1.170 17 residues pruned to eliminate duplicates Z: 15 9.367 1.670 0.361 0.531 0.929 0.643 CA 1.150 12 residues pruned to eliminate duplicates Z: 6 2.593 1.260 0.093 0.497 1.000 0.400 CB 0.845 Z: 10 2.713 1.480 0.169 0.297 0.778 0.333 CB 0.843 Z: 7 12.316 1.989 0.311 0.717 1.000 0.667 CB 1.584 7 residues pruned to eliminate duplicates Z: 27 11.915 2.026 0.331 0.329 0.731 0.269 CB 1.430 27 residues pruned to eliminate duplicates Z: 21 35.302 2.037 0.860 0.907 0.950 0.450 CB 1.558 21 residues pruned to eliminate duplicates Z: 9 3.425 1.313 0.566 0.356 0.750 0.500 CB 0.918 Z: 22 39.838 2.034 1.070 0.944 1.000 0.667 CB 1.431 22 residues pruned to eliminate duplicates Z: 33 25.954 2.169 0.681 0.422 0.844 0.594 CB 1.618 33 residues pruned to eliminate duplicates Z: 17 8.133 2.015 0.497 0.357 0.625 0.500 CB 1.258 17 residues pruned to eliminate duplicates Z: 59 24.126 2.039 0.470 0.369 0.828 0.517 CB 1.469 59 residues pruned to eliminate duplicates Z: 51 31.030 1.953 0.613 0.543 0.900 0.680 CB 1.484 51 residues pruned to eliminate duplicates Z: 6 2.934 1.568 0.686 0.446 0.800 0.400 CA 0.656 Z: 17 18.891 1.814 0.817 0.591 1.000 0.688 CA 1.312 Z: 13 10.657 1.984 0.676 0.419 0.833 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 11 4.795 1.517 0.155 0.290 0.900 0.600 O 1.218 11 residues pruned to eliminate duplicates Z: 6 7.175 1.760 0.697 0.669 0.800 0.400 CA 1.148 Z: 23 12.369 1.798 0.471 0.381 0.909 0.500 CB 1.246 23 residues pruned to eliminate duplicates 6 1.896 1.440 0.240 0.244 0.800 0.200 CB 0.798 ? Z: 12 5.430 1.596 0.396 0.451 0.909 0.545 CA 0.850 12 residues pruned to eliminate duplicates Z: 8 3.612 1.411 0.157 0.482 1.000 0.571 CB 0.851 Z: 9 3.334 1.461 0.266 0.278 0.750 0.625 N 1.093 9 residues pruned to eliminate duplicates 6 1.877 1.183 0.230 0.401 0.800 0.400 N 0.800 ? Z: 20 27.631 1.993 0.615 0.929 1.000 0.947 CA 1.379 20 residues pruned to eliminate duplicates Z: 8 5.787 1.638 0.418 0.452 1.000 0.571 CA 0.989 7 residues pruned to eliminate duplicates Z: 21 9.212 1.771 0.279 0.346 0.750 0.550 CB 1.433 21 residues pruned to eliminate duplicates Z: 22 13.677 1.928 0.524 0.393 0.857 0.524 CB 1.326 22 residues pruned to eliminate duplicates Z: 18 26.290 2.097 0.720 0.904 1.000 0.706 CB 1.259 18 residues pruned to eliminate duplicates Z: 13 10.188 1.790 0.294 0.560 0.833 0.750 CA 1.436 13 residues pruned to eliminate duplicates Z: 81 47.333 2.125 0.613 0.565 0.925 0.675 CA 1.567 81 residues pruned to eliminate duplicates Z: 54 34.102 2.025 0.642 0.549 0.943 0.698 CB 1.423 54 residues pruned to eliminate duplicates Z: 11 3.501 1.710 0.249 0.199 0.700 0.700 CB 1.059 11 residues pruned to eliminate duplicates Z: 16 13.895 2.128 0.591 0.372 0.867 0.667 CB 1.403 16 residues pruned to eliminate duplicates Z: 9 12.540 1.637 0.507 0.890 1.000 0.875 O 1.293 9 residues pruned to eliminate duplicates Z: 15 9.117 1.838 0.383 0.301 0.857 0.500 CA 1.396 15 residues pruned to eliminate duplicates Z: 9 6.021 1.748 0.268 0.506 0.875 0.750 CB 1.091 9 residues pruned to eliminate duplicates Z: 11 4.933 1.351 0.218 0.451 0.900 0.500 N 1.107 11 residues pruned to eliminate duplicates 7 1.653 1.418 0.170 0.246 0.500 0.333 C 1.090 ? Z: 15 15.858 1.980 0.782 0.515 0.929 0.786 CA 1.274 15 residues pruned to eliminate duplicates Z: 7 7.267 1.790 0.039 0.747 1.000 0.833 C 1.279 Z: 13 4.771 1.605 0.522 0.405 0.750 0.583 CB 0.831 13 residues pruned to eliminate duplicates Z: 7 2.380 1.440 0.136 0.575 0.667 0.667 C 0.828 Z: 6 5.248 1.617 0.119 0.665 1.000 0.600 CB 1.114 Z: 8 9.055 1.830 0.770 0.520 0.857 0.714 CA 1.209 8 residues pruned to eliminate duplicates Z: 17 7.341 1.665 0.431 0.312 0.812 0.625 CA 1.167 17 residues pruned to eliminate duplicates Z: 10 7.016 1.808 0.339 0.452 0.778 0.556 CB 1.304 10 residues pruned to eliminate duplicates Z: 18 14.556 1.952 0.268 0.600 0.941 0.765 CA 1.377 18 residues pruned to eliminate duplicates Z: 7 4.371 1.455 0.194 0.496 0.833 0.667 CB 1.238 Z: 6 3.592 1.563 0.212 0.478 0.800 0.800 CA 1.084 Z: 7 2.370 1.491 0.219 0.201 0.667 0.333 CA 1.138 Z: 8 4.293 1.566 -0.005 0.610 1.000 0.429 CB 0.938 Z: 16 11.245 1.953 0.322 0.449 0.933 0.667 CB 1.270 16 residues pruned to eliminate duplicates Z: 7 3.735 1.811 0.092 0.733 1.000 1.000 CB 0.625 7 residues pruned to eliminate duplicates Z: 6 2.818 1.440 0.673 0.285 0.800 0.400 CA 0.833 6 residues pruned to eliminate duplicates Z: 8 9.462 1.625 0.572 0.520 1.000 0.571 CB 1.373 8 residues pruned to eliminate duplicates Z: 11 5.664 1.628 0.135 0.408 1.000 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 49 30.795 1.915 0.620 0.579 0.917 0.583 CB 1.449 49 residues pruned to eliminate duplicates Z: 6 2.413 1.261 0.329 0.561 0.800 0.800 CA 0.758 Z: 19 13.281 1.922 0.556 0.396 0.889 0.611 CB 1.315 19 residues pruned to eliminate duplicates Z: 6 3.856 1.505 0.415 0.623 0.800 0.800 CB 0.902 Z: 10 7.987 1.700 0.446 0.657 0.889 0.778 CB 1.053 10 residues pruned to eliminate duplicates Z: 12 7.998 1.846 0.282 0.565 0.909 0.727 CB 1.052 12 residues pruned to eliminate duplicates Z: 25 17.490 1.971 0.508 0.532 0.917 0.417 CB 1.270 25 residues pruned to eliminate duplicates Z: 34 15.176 1.935 0.508 0.377 0.818 0.485 CB 1.261 34 residues pruned to eliminate duplicates Z: 39 15.273 1.910 0.361 0.333 0.789 0.368 CB 1.448 39 residues pruned to eliminate duplicates Z: 11 4.325 1.755 0.286 0.236 0.800 0.400 CA 1.029 Z: 63 44.206 2.072 0.802 0.579 0.919 0.677 CA 1.515 63 residues pruned to eliminate duplicates Z: 15 4.463 1.463 0.255 0.343 0.714 0.500 CB 1.078 Z: 32 22.780 1.938 0.800 0.494 0.839 0.484 CB 1.406 32 residues pruned to eliminate duplicates Z: 10 3.931 1.733 0.085 0.246 0.889 0.333 CB 1.052 10 residues pruned to eliminate duplicates Z: 30 18.235 1.962 0.294 0.477 0.931 0.586 CB 1.466 30 residues pruned to eliminate duplicates Z: 6 5.879 1.722 0.367 0.810 0.800 0.800 CA 1.066 6 residues pruned to eliminate duplicates Z: 8 2.328 1.545 -0.015 0.291 0.714 0.571 CB 1.024 8 residues pruned to eliminate duplicates Z: 10 13.376 2.025 0.527 0.862 1.000 0.889 CB 1.059 10 residues pruned to eliminate duplicates Z: 12 6.947 1.675 0.390 0.437 1.000 0.545 CA 0.960 12 residues pruned to eliminate duplicates Z: 7 6.457 1.286 0.692 0.846 1.000 1.000 CA 0.900 7 residues pruned to eliminate duplicates Z: 7 7.195 1.922 0.399 0.419 0.833 0.667 CA 1.426 7 residues pruned to eliminate duplicates Z: 11 5.460 1.549 0.343 0.396 0.800 0.400 CA 1.157 10 residues pruned to eliminate duplicates Z: 11 8.325 1.908 0.278 0.686 1.000 0.800 CA 0.910 11 residues pruned to eliminate duplicates Z: 19 15.415 1.908 0.726 0.512 0.944 0.722 CA 1.155 19 residues pruned to eliminate duplicates Z: 28 16.529 1.939 0.392 0.519 0.815 0.556 CB 1.420 28 residues pruned to eliminate duplicates Z: 7 2.676 1.602 0.047 0.224 0.667 0.333 O 1.350 Z: 21 24.535 1.899 0.745 0.817 1.000 0.750 CB 1.256 21 residues pruned to eliminate duplicates Z: 8 7.203 1.778 0.273 0.464 1.000 0.429 CA 1.248 8 residues pruned to eliminate duplicates Z: 52 41.280 2.050 0.701 0.662 0.980 0.588 CB 1.456 52 residues pruned to eliminate duplicates Z: 6 4.198 1.360 0.627 0.432 0.800 0.400 N 1.138 Z: 6 5.842 1.613 0.907 0.604 0.800 0.800 CB 0.962 5 residues pruned to eliminate duplicates 6 1.489 1.186 -0.068 0.293 1.000 0.600 C 0.760 ? Z: 14 6.744 1.852 0.045 0.251 1.000 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 9 3.612 1.751 0.502 0.293 0.750 0.500 CB 0.817 9 residues pruned to eliminate duplicates Z: 7 2.466 1.398 0.597 0.269 0.833 0.333 CB 0.703 Z: 41 32.058 2.073 0.575 0.677 0.925 0.725 CB 1.426 41 residues pruned to eliminate duplicates Z: 32 37.298 2.114 0.779 0.724 1.000 0.710 CA 1.455 32 residues pruned to eliminate duplicates Z: 8 4.920 1.569 0.565 0.596 0.714 0.571 CB 0.968 Z: 9 8.152 1.686 0.461 0.847 0.875 0.750 CB 0.993 9 residues pruned to eliminate duplicates 6 1.894 1.425 0.300 0.289 0.600 0.400 CB 0.966 ? Z: 13 17.478 2.174 0.731 0.438 0.833 0.500 CA 1.716 13 residues pruned to eliminate duplicates 6 0.994 1.251 -0.064 0.287 0.800 0.400 O 0.603 ? Z: 16 6.312 1.650 0.220 0.430 0.800 0.400 CB 1.088 14 residues pruned to eliminate duplicates Z: 9 7.935 1.725 0.590 0.551 0.875 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 21 18.202 1.854 0.762 0.471 0.800 0.600 CB 1.604 20 residues pruned to eliminate duplicates Z: 19 8.843 1.685 0.371 0.421 0.833 0.611 CB 1.175 19 residues pruned to eliminate duplicates Z: 12 11.697 1.834 0.468 0.537 1.000 0.636 CB 1.262 11 residues pruned to eliminate duplicates Z: 11 7.905 1.738 0.352 0.438 0.900 0.800 CA 1.260 11 residues pruned to eliminate duplicates Z: 8 4.413 1.364 0.405 0.575 0.857 0.143 CA 0.945 7 1.559 1.296 0.115 0.344 0.833 0.500 CB 0.626 ? Z: 16 31.051 2.100 0.826 0.933 1.000 0.867 CA 1.460 16 residues pruned to eliminate duplicates Z: 14 16.760 2.061 0.400 0.861 0.923 0.692 CB 1.282 14 residues pruned to eliminate duplicates 7 1.518 1.195 0.616 0.083 0.833 0.333 N 0.660 ? Z: 21 10.078 1.908 0.550 0.308 0.700 0.400 CB 1.348 21 residues pruned to eliminate duplicates Z: 20 18.294 1.956 0.271 0.898 1.000 0.895 CB 1.207 20 residues pruned to eliminate duplicates 6 1.207 1.225 0.614 0.775 1.000 0.600 CB 0.214 ? Z: 6 3.148 1.377 0.067 0.505 1.000 0.800 C 0.953 Z: 6 2.888 1.305 0.498 0.425 0.800 0.600 O 0.892 Z: 16 13.317 1.892 0.703 0.383 0.933 0.733 CB 1.295 16 residues pruned to eliminate duplicates Z: 6 2.987 1.560 0.221 0.442 0.800 0.600 CB 0.931 7 1.285 1.372 0.215 0.357 0.833 0.500 CB 0.440 ? Z: 8 5.284 1.635 0.350 0.568 1.000 0.857 CA 0.847 8 residues pruned to eliminate duplicates Z: 39 16.701 1.865 0.398 0.383 0.868 0.579 CB 1.355 39 residues pruned to eliminate duplicates Z: 9 2.708 1.511 0.321 0.326 0.875 0.500 CB 0.664 9 residues pruned to eliminate duplicates Z: 28 41.384 2.223 0.860 0.760 1.000 0.741 CA 1.528 28 residues pruned to eliminate duplicates 6 1.898 1.342 0.457 0.380 0.600 0.400 CA 0.822 ? Z: 14 4.426 1.434 0.316 0.186 0.923 0.538 CB 1.026 14 residues pruned to eliminate duplicates Z: 13 14.199 1.882 0.362 0.668 1.000 0.667 CA 1.369 13 residues pruned to eliminate duplicates 6 0.799 1.396 0.343 0.297 0.800 0.600 CB 0.299 ? Z: 6 3.189 1.829 0.033 0.489 1.000 0.600 CB 0.763 6 residues pruned to eliminate duplicates Z: 12 7.573 1.790 0.421 0.435 0.909 0.727 CA 1.057 12 residues pruned to eliminate duplicates Z: 15 8.711 1.718 0.459 0.423 0.786 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 7 5.218 1.580 0.419 0.364 1.000 0.500 CA 1.099 7 residues pruned to eliminate duplicates Z: 6 3.219 1.607 0.409 0.443 0.600 0.600 CB 1.124 Z: 16 7.566 1.677 0.286 0.484 0.867 0.400 CA 1.063 16 residues pruned to eliminate duplicates Z: 6 2.079 1.163 0.478 0.467 0.800 0.600 N 0.699 Z: 10 7.657 1.652 0.619 0.507 0.778 0.667 CB 1.218 Z: 33 22.730 2.082 0.594 0.397 0.875 0.500 CB 1.542 33 residues pruned to eliminate duplicates Z: 34 18.255 1.966 0.464 0.446 0.818 0.455 CB 1.426 34 residues pruned to eliminate duplicates Z: 9 9.668 1.749 0.491 0.849 1.000 0.625 CA 0.972 9 residues pruned to eliminate duplicates 11 1.777 1.409 0.189 0.256 0.700 0.400 CB 0.633 ? Z: 9 4.797 1.607 0.827 0.447 0.750 0.500 CB 0.813 Z: 17 10.980 1.898 0.734 0.321 0.875 0.562 CB 1.162 17 residues pruned to eliminate duplicates Z: 23 15.293 1.984 0.401 0.432 0.955 0.727 CB 1.317 23 residues pruned to eliminate duplicates Z: 24 15.599 2.004 0.395 0.407 0.870 0.522 CA 1.475 24 residues pruned to eliminate duplicates Z: 8 4.544 1.545 -0.002 0.494 0.857 0.286 CB 1.308 8 residues pruned to eliminate duplicates Z: 29 20.033 1.988 0.600 0.360 0.893 0.500 CA 1.550 29 residues pruned to eliminate duplicates Z: 7 3.081 1.347 0.169 0.585 0.833 0.833 O 0.884 7 residues pruned to eliminate duplicates Z: 8 2.225 1.230 0.805 0.277 0.714 0.286 CB 0.682 Z: 19 7.458 1.987 0.605 0.165 0.667 0.389 CB 1.243 19 residues pruned to eliminate duplicates Z: 19 11.569 1.869 0.334 0.504 0.889 0.500 CA 1.225 19 residues pruned to eliminate duplicates Z: 10 3.716 1.542 0.525 0.308 0.778 0.556 CB 0.839 Z: 6 5.047 1.554 0.672 0.579 0.800 0.800 CA 1.007 6 residues pruned to eliminate duplicates Z: 11 4.717 1.538 0.138 0.473 0.900 0.500 CB 0.974 7 1.830 1.464 0.058 0.264 0.667 0.667 CB 0.947 ? Z: 10 5.486 1.569 0.406 0.328 0.778 0.444 CA 1.287 10 residues pruned to eliminate duplicates Z: 7 2.815 1.387 0.559 0.246 0.833 0.333 O 0.854 Z: 19 6.720 1.608 0.263 0.394 0.778 0.500 CB 1.121 19 residues pruned to eliminate duplicates Z: 10 4.485 1.682 0.242 0.397 0.667 0.333 CA 1.197 10 residues pruned to eliminate duplicates Z: 9 3.591 1.513 0.163 0.302 0.750 0.500 N 1.199 9 residues pruned to eliminate duplicates Z: 8 5.523 1.866 0.142 0.624 0.857 0.571 CB 1.016 8 residues pruned to eliminate duplicates 6 1.403 1.567 -0.280 0.470 0.800 0.800 CB 0.717 ? Z: 14 9.020 1.929 0.423 0.386 0.846 0.538 CB 1.215 14 residues pruned to eliminate duplicates Z: 7 4.003 1.675 0.892 0.329 0.667 0.500 CA 0.934 Z: 13 8.952 1.739 0.347 0.459 0.917 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 19 8.085 1.718 0.520 0.414 0.722 0.556 CB 1.106 19 residues pruned to eliminate duplicates Z: 19 22.073 2.039 0.506 0.808 0.944 0.722 CA 1.371 19 residues pruned to eliminate duplicates Z: 41 24.573 1.850 0.698 0.564 0.900 0.525 CA 1.292 41 residues pruned to eliminate duplicates Z: 46 30.714 2.005 0.647 0.636 0.844 0.578 CB 1.445 46 residues pruned to eliminate duplicates Z: 10 8.383 2.028 0.809 0.248 0.778 0.444 CB 1.309 Z: 6 3.442 1.296 0.761 0.496 0.800 0.600 CB 0.846 Z: 8 5.686 1.802 0.493 0.236 1.000 0.714 CA 1.084 8 residues pruned to eliminate duplicates Z: 9 9.079 1.743 0.445 0.557 0.875 0.500 CA 1.379 9 residues pruned to eliminate duplicates Z: 37 18.094 1.955 0.450 0.412 0.833 0.528 CB 1.399 37 residues pruned to eliminate duplicates Z: 14 2.925 1.328 0.243 0.172 0.769 0.308 CB 0.951 Z: 8 5.352 1.522 0.630 0.576 0.857 0.714 CA 0.884 8 residues pruned to eliminate duplicates Z: 7 3.309 1.002 0.713 0.635 1.000 0.667 CA 0.693 10 1.432 1.156 0.297 0.239 0.667 0.556 CB 0.646 ? Z: 7 3.152 1.621 0.489 0.246 0.667 0.333 CB 1.071 Z: 10 2.928 1.468 0.819 0.251 0.778 0.222 CB 0.626 Z: 8 3.686 1.252 0.660 0.352 0.857 0.571 CB 0.918 Z: 10 15.532 2.053 0.574 0.882 1.000 0.889 CB 1.160 10 residues pruned to eliminate duplicates Z: 7 3.156 1.355 0.530 0.346 0.833 0.500 CB 0.881 Using tripeptides from previous cycle as seeds Z: 6 3.598 1.271 0.987 0.473 0.800 0.600 CB 0.819 6 residues pruned to eliminate duplicates Z: 6 12.766 1.844 1.015 0.563 1.000 0.400 CA 1.446 6 residues pruned to eliminate duplicates Z: 9 7.108 1.588 0.717 0.417 1.000 0.625 CB 1.004 9 residues pruned to eliminate duplicates 6 1.845 1.423 0.329 0.299 0.800 0.600 CA 0.682 ? Z: 7 2.580 1.413 0.627 0.175 0.667 0.167 CB 1.018 5 residues pruned to eliminate duplicates Z: 6 3.676 1.255 1.101 0.460 0.800 0.600 CA 0.813 7 residues pruned to eliminate duplicates Z: 7 4.803 1.216 0.897 0.466 1.000 0.667 CB 0.881 7 residues pruned to eliminate duplicates Z: 7 9.978 1.993 0.710 0.576 0.833 0.500 CB 1.334 8 residues pruned to eliminate duplicates 6 1.643 1.395 0.438 0.198 0.600 0.200 N 0.875 ? Z: 6 7.676 1.722 0.939 0.450 1.000 1.000 CA 1.083 6 residues pruned to eliminate duplicates Z: 17 8.492 1.780 0.693 0.520 0.625 0.438 CB 1.105 17 residues pruned to eliminate duplicates Z: 11 7.726 1.894 0.747 0.233 0.700 0.400 CB 1.439 10 residues pruned to eliminate duplicates Z: 6 3.812 1.533 0.488 0.403 1.000 0.800 CA 0.828 6 residues pruned to eliminate duplicates Z: 8 8.978 1.930 0.575 0.414 0.857 0.714 CA 1.424 8 residues pruned to eliminate duplicates Z: 6 2.152 1.376 0.833 0.282 1.000 0.600 CB 0.488 6 residues pruned to eliminate duplicates Z: 6 3.567 1.727 0.535 0.272 0.800 0.600 CB 0.974 6 residues pruned to eliminate duplicates Z: 6 4.427 1.679 0.258 0.591 0.800 0.200 CA 1.074 6 residues pruned to eliminate duplicates Z: 10 10.857 1.795 0.619 0.481 0.889 0.667 CA 1.429 10 residues pruned to eliminate duplicates Z: 15 7.370 1.635 0.334 0.403 0.857 0.357 CB 1.166 13 residues pruned to eliminate duplicates Z: 8 9.957 1.828 0.715 0.432 1.000 0.429 CA 1.288 11 residues pruned to eliminate duplicates Z: 6 3.628 1.552 1.023 0.652 0.600 0.400 CB 0.747 6 residues pruned to eliminate duplicates Z: 9 4.091 1.790 0.433 0.185 0.875 0.375 CA 0.940 9 residues pruned to eliminate duplicates Z: 12 8.795 1.736 0.353 0.524 0.818 0.364 CA 1.348 10 residues pruned to eliminate duplicates Z: 8 7.780 1.870 0.281 0.619 0.857 0.571 CB 1.280 8 residues pruned to eliminate duplicates Z: 24 17.129 1.927 0.395 0.454 0.957 0.609 CA 1.456 24 residues pruned to eliminate duplicates Z: 23 14.803 1.919 0.461 0.385 0.909 0.500 CB 1.399 25 residues pruned to eliminate duplicates Z: 10 10.429 1.672 0.389 0.577 1.000 0.444 CB 1.389 10 residues pruned to eliminate duplicates Z: 26 16.311 1.920 0.407 0.446 0.880 0.600 CB 1.451 25 residues pruned to eliminate duplicates Z: 6 4.982 1.514 0.625 0.479 1.000 0.800 CB 0.926 6 residues pruned to eliminate duplicates Z: 23 14.967 1.918 0.364 0.442 0.909 0.591 CB 1.425 23 residues pruned to eliminate duplicates Z: 27 15.658 1.878 0.436 0.438 0.923 0.615 CB 1.315 27 residues pruned to eliminate duplicates Z: 26 16.580 1.930 0.519 0.390 0.920 0.480 CB 1.381 26 residues pruned to eliminate duplicates Z: 26 15.438 1.873 0.505 0.385 0.880 0.440 CB 1.406 26 residues pruned to eliminate duplicates Z: 20 11.664 1.863 0.335 0.415 0.895 0.421 CB 1.315 19 residues pruned to eliminate duplicates Z: 7 7.171 1.844 0.496 0.610 1.000 0.833 CA 0.956 6 residues pruned to eliminate duplicates Z: 9 5.184 1.852 0.274 0.384 0.875 0.500 CA 1.004 9 residues pruned to eliminate duplicates Z: 6 5.144 1.871 0.423 0.500 1.000 0.400 CA 0.864 6 residues pruned to eliminate duplicates Z: 17 14.340 1.876 0.577 0.549 1.000 0.688 CB 1.155 18 residues pruned to eliminate duplicates Z: 18 15.855 1.910 0.554 0.539 1.000 0.588 CB 1.248 28 residues pruned to eliminate duplicates Z: 6 3.742 1.607 0.495 0.569 0.800 0.200 CA 0.814 6 residues pruned to eliminate duplicates Z: 17 12.853 1.896 0.488 0.479 0.938 0.625 CB 1.240 17 residues pruned to eliminate duplicates Z: 17 10.248 1.836 0.476 0.498 0.875 0.625 CB 1.082 17 residues pruned to eliminate duplicates Z: 18 13.680 1.892 0.575 0.536 0.941 0.588 CB 1.143 18 residues pruned to eliminate duplicates Z: 16 13.188 1.925 0.526 0.528 1.000 0.533 CB 1.128 16 residues pruned to eliminate duplicates Z: 16 12.685 1.967 0.564 0.496 0.933 0.467 CB 1.145 16 residues pruned to eliminate duplicates Z: 16 11.579 1.973 0.376 0.487 0.933 0.400 CB 1.196 16 residues pruned to eliminate duplicates Z: 17 11.565 1.958 0.465 0.508 0.875 0.500 CB 1.142 17 residues pruned to eliminate duplicates Z: 12 6.083 1.861 0.386 0.513 0.727 0.455 CB 0.965 12 residues pruned to eliminate duplicates Z: 8 7.995 1.974 0.137 0.725 0.857 0.571 CB 1.282 8 residues pruned to eliminate duplicates Z: 16 11.636 1.994 0.356 0.500 0.933 0.400 CB 1.191 16 residues pruned to eliminate duplicates Z: 30 11.493 1.866 0.254 0.362 0.897 0.621 CA 1.179 30 residues pruned to eliminate duplicates Z: 29 12.759 1.881 0.241 0.387 0.929 0.429 CB 1.254 29 residues pruned to eliminate duplicates Z: 29 14.695 1.882 0.386 0.426 0.929 0.679 CB 1.239 28 residues pruned to eliminate duplicates Z: 6 5.453 1.908 -0.083 0.468 1.000 0.600 CA 1.439 6 residues pruned to eliminate duplicates Z: 32 14.497 1.842 0.272 0.401 0.968 0.613 CA 1.275 30 residues pruned to eliminate duplicates Z: 9 4.925 1.746 0.261 0.331 0.875 0.750 CB 1.088 9 residues pruned to eliminate duplicates Z: 30 12.394 1.886 0.233 0.383 0.931 0.655 CB 1.204 30 residues pruned to eliminate duplicates Z: 27 13.332 1.957 0.216 0.365 0.962 0.615 CB 1.321 27 residues pruned to eliminate duplicates Z: 35 13.446 1.820 0.386 0.325 0.853 0.500 CB 1.298 28 residues pruned to eliminate duplicates Z: 6 6.474 1.795 0.590 0.360 1.000 0.800 CB 1.180 6 residues pruned to eliminate duplicates Z: 29 13.608 1.941 0.232 0.388 0.964 0.607 CB 1.256 29 residues pruned to eliminate duplicates Z: 30 12.723 1.906 0.315 0.379 0.931 0.690 CB 1.152 30 residues pruned to eliminate duplicates Z: 31 12.103 1.853 0.226 0.386 0.933 0.667 CB 1.176 31 residues pruned to eliminate duplicates Z: 24 10.228 1.907 0.278 0.307 0.913 0.565 CB 1.188 24 residues pruned to eliminate duplicates Z: 27 14.053 1.915 0.271 0.427 0.962 0.654 CA 1.271 27 residues pruned to eliminate duplicates Z: 30 13.258 1.892 0.315 0.344 0.966 0.517 CB 1.214 30 residues pruned to eliminate duplicates Z: 32 13.821 1.894 0.336 0.390 0.903 0.613 CB 1.221 32 residues pruned to eliminate duplicates Z: 31 14.219 1.899 0.279 0.401 0.900 0.567 CA 1.319 31 residues pruned to eliminate duplicates Z: 29 13.742 1.922 0.297 0.354 0.964 0.571 CB 1.265 30 residues pruned to eliminate duplicates Z: 6 3.213 1.300 0.892 0.400 0.800 0.400 CA 0.811 6 residues pruned to eliminate duplicates Z: 20 12.446 1.858 0.505 0.427 0.895 0.474 CA 1.230 21 residues pruned to eliminate duplicates Z: 6 3.158 1.331 0.335 0.414 1.000 0.800 CA 0.870 6 residues pruned to eliminate duplicates Z: 18 9.403 1.788 0.225 0.439 0.941 0.529 CB 1.179 18 residues pruned to eliminate duplicates Z: 22 11.138 1.774 0.420 0.393 0.857 0.476 CB 1.260 22 residues pruned to eliminate duplicates Z: 14 8.687 1.859 0.104 0.444 0.923 0.538 CA 1.348 14 residues pruned to eliminate duplicates Z: 13 7.913 1.879 0.042 0.464 0.917 0.667 CA 1.320 13 residues pruned to eliminate duplicates Z: 18 12.820 1.807 0.378 0.430 1.000 0.588 CA 1.343 18 residues pruned to eliminate duplicates Z: 28 9.153 1.685 0.189 0.302 0.852 0.296 CA 1.287 28 residues pruned to eliminate duplicates Z: 16 12.108 1.876 0.276 0.523 1.000 0.600 CA 1.276 16 residues pruned to eliminate duplicates Z: 33 22.362 2.054 0.580 0.436 0.906 0.562 CB 1.437 33 residues pruned to eliminate duplicates Z: 34 23.529 2.071 0.462 0.491 0.970 0.636 CB 1.408 34 residues pruned to eliminate duplicates Z: 35 23.284 2.046 0.482 0.463 0.912 0.647 CB 1.501 35 residues pruned to eliminate duplicates Z: 34 22.519 2.053 0.571 0.459 0.909 0.667 CB 1.394 34 residues pruned to eliminate duplicates Z: 15 10.098 1.796 0.478 0.346 0.929 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 34 22.040 2.047 0.459 0.442 0.939 0.606 CB 1.452 34 residues pruned to eliminate duplicates Z: 33 25.213 2.105 0.462 0.501 0.969 0.562 CB 1.493 33 residues pruned to eliminate duplicates Z: 34 23.585 2.074 0.474 0.489 0.939 0.515 CB 1.445 34 residues pruned to eliminate duplicates Z: 35 23.638 2.032 0.454 0.456 0.971 0.588 CB 1.479 36 residues pruned to eliminate duplicates Z: 7 4.336 1.654 0.283 0.346 0.833 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 35 21.550 2.017 0.393 0.483 0.971 0.676 CB 1.378 35 residues pruned to eliminate duplicates Z: 6 9.450 1.720 0.659 0.646 1.000 0.800 CA 1.292 6 residues pruned to eliminate duplicates Z: 23 19.602 2.139 0.394 0.562 0.909 0.682 CB 1.451 24 residues pruned to eliminate duplicates Z: 6 2.833 1.650 0.181 0.361 0.800 0.400 CA 0.944 6 residues pruned to eliminate duplicates Z: 34 20.068 2.011 0.545 0.479 0.909 0.636 CB 1.264 34 residues pruned to eliminate duplicates Z: 6 3.613 1.698 0.422 0.194 0.800 0.200 CB 1.206 6 residues pruned to eliminate duplicates Z: 35 21.541 2.001 0.470 0.488 0.912 0.647 CB 1.394 35 residues pruned to eliminate duplicates Z: 14 7.931 1.840 0.244 0.366 0.846 0.385 CB 1.311 14 residues pruned to eliminate duplicates Z: 14 10.418 1.878 0.375 0.392 0.923 0.538 CB 1.360 14 residues pruned to eliminate duplicates Z: 15 10.345 1.809 0.387 0.424 0.857 0.571 CB 1.392 15 residues pruned to eliminate duplicates Z: 20 9.179 1.786 0.412 0.316 0.895 0.579 CB 1.144 20 residues pruned to eliminate duplicates Z: 17 7.332 1.738 0.393 0.363 0.812 0.500 CB 1.080 17 residues pruned to eliminate duplicates Z: 13 9.791 1.888 0.329 0.426 0.917 0.583 CB 1.327 13 residues pruned to eliminate duplicates Z: 14 8.677 2.010 0.220 0.380 0.846 0.462 CB 1.317 14 residues pruned to eliminate duplicates Z: 19 6.732 1.809 0.473 0.289 0.722 0.611 CB 1.045 19 residues pruned to eliminate duplicates Z: 15 9.438 1.924 0.393 0.378 0.857 0.571 CB 1.250 15 residues pruned to eliminate duplicates Z: 14 12.396 2.023 0.547 0.459 0.846 0.615 CB 1.354 14 residues pruned to eliminate duplicates Z: 15 8.792 1.993 0.613 0.360 0.714 0.571 CB 1.189 15 residues pruned to eliminate duplicates Z: 18 9.945 1.919 0.522 0.326 0.765 0.471 CB 1.308 18 residues pruned to eliminate duplicates Z: 20 9.371 1.993 0.572 0.233 0.684 0.474 CB 1.368 30 residues pruned to eliminate duplicates Z: 6 5.253 1.541 0.706 0.465 1.000 0.600 N 0.927 6 residues pruned to eliminate duplicates Z: 67 30.024 1.970 0.376 0.529 0.939 0.606 CA 1.410 67 residues pruned to eliminate duplicates Z: 12 6.220 1.791 0.348 0.325 0.727 0.455 CA 1.296 12 residues pruned to eliminate duplicates Z: 41 29.912 2.049 0.507 0.634 0.925 0.775 CA 1.459 41 residues pruned to eliminate duplicates Z: 45 30.610 2.037 0.570 0.559 0.932 0.705 CA 1.463 45 residues pruned to eliminate duplicates Z: 20 15.984 2.078 0.293 0.452 0.947 0.684 CB 1.513 20 residues pruned to eliminate duplicates Z: 24 13.294 1.982 0.247 0.383 0.870 0.652 CA 1.462 24 residues pruned to eliminate duplicates Z: 97 42.615 2.035 0.567 0.516 0.917 0.635 CA 1.464 97 residues pruned to eliminate duplicates Z: 36 19.530 1.999 0.347 0.526 0.857 0.571 CA 1.395 36 residues pruned to eliminate duplicates Z: 25 24.784 2.033 0.677 0.657 0.958 0.708 CA 1.338 25 residues pruned to eliminate duplicates Z: 37 25.270 2.009 0.601 0.557 0.861 0.556 CA 1.438 37 residues pruned to eliminate duplicates Z: 76 38.416 2.046 0.493 0.567 0.933 0.587 CA 1.458 76 residues pruned to eliminate duplicates Z: 26 25.669 2.097 0.543 0.698 0.920 0.560 CA 1.440 26 residues pruned to eliminate duplicates Z: 36 24.178 1.982 0.440 0.593 0.943 0.657 CB 1.389 36 residues pruned to eliminate duplicates Z: 39 30.135 2.066 0.553 0.590 0.947 0.632 CB 1.476 39 residues pruned to eliminate duplicates Z: 36 29.546 2.062 0.571 0.642 0.914 0.543 CA 1.477 36 residues pruned to eliminate duplicates Z: 38 26.811 2.032 0.488 0.580 0.973 0.568 CA 1.388 38 residues pruned to eliminate duplicates Z: 65 34.569 2.013 0.534 0.594 0.906 0.641 CB 1.411 65 residues pruned to eliminate duplicates Z: 63 40.169 2.048 0.640 0.576 0.952 0.565 CA 1.483 63 residues pruned to eliminate duplicates Z: 40 26.048 1.998 0.572 0.557 0.897 0.564 CA 1.400 40 residues pruned to eliminate duplicates Z: 44 30.514 2.053 0.537 0.576 0.930 0.605 CA 1.472 44 residues pruned to eliminate duplicates Z: 31 28.747 2.091 0.475 0.676 0.967 0.767 CA 1.497 31 residues pruned to eliminate duplicates Z: 24 34.663 2.099 0.841 0.742 1.000 0.696 CA 1.505 24 residues pruned to eliminate duplicates Z: 79 38.995 2.034 0.569 0.516 0.923 0.526 CB 1.475 79 residues pruned to eliminate duplicates Z: 70 44.803 2.084 0.678 0.564 0.957 0.609 CA 1.516 70 residues pruned to eliminate duplicates Z: 32 29.348 2.022 0.574 0.688 1.000 0.710 CA 1.393 32 residues pruned to eliminate duplicates Z: 43 27.997 2.043 0.504 0.562 0.905 0.619 CA 1.464 43 residues pruned to eliminate duplicates Z: 37 27.705 2.044 0.598 0.582 0.861 0.417 CA 1.517 37 residues pruned to eliminate duplicates Z: 35 34.479 2.059 0.755 0.635 0.971 0.618 CA 1.485 35 residues pruned to eliminate duplicates Z: 69 41.729 2.102 0.608 0.553 0.941 0.500 CA 1.511 69 residues pruned to eliminate duplicates Z: 42 31.179 2.030 0.590 0.608 0.951 0.561 CA 1.431 42 residues pruned to eliminate duplicates Z: 57 33.737 1.997 0.526 0.612 0.964 0.554 CA 1.380 57 residues pruned to eliminate duplicates Z: 52 32.518 2.032 0.574 0.562 0.941 0.569 CA 1.424 52 residues pruned to eliminate duplicates Z: 44 29.527 2.057 0.483 0.569 0.930 0.628 CA 1.485 44 residues pruned to eliminate duplicates Z: 7 5.756 1.880 0.282 0.395 1.000 0.667 CA 1.089 7 residues pruned to eliminate duplicates Z: 13 3.561 1.704 0.020 0.192 0.917 0.583 CB 0.933 13 residues pruned to eliminate duplicates Z: 43 28.879 2.058 0.564 0.527 0.929 0.643 CB 1.451 43 residues pruned to eliminate duplicates Z: 43 25.085 2.048 0.629 0.414 0.857 0.548 CA 1.480 43 residues pruned to eliminate duplicates Z: 77 42.748 2.076 0.615 0.532 0.934 0.605 CA 1.517 77 residues pruned to eliminate duplicates Z: 47 28.347 2.047 0.594 0.446 0.935 0.457 CB 1.448 47 residues pruned to eliminate duplicates Z: 15 22.090 2.045 1.044 0.696 1.000 0.571 CB 1.181 15 residues pruned to eliminate duplicates Z: 47 36.731 2.038 0.735 0.662 0.957 0.630 CA 1.378 47 residues pruned to eliminate duplicates Z: 58 39.053 2.053 0.602 0.603 0.982 0.526 CA 1.451 58 residues pruned to eliminate duplicates Z: 78 41.250 2.030 0.604 0.545 0.922 0.506 CA 1.498 78 residues pruned to eliminate duplicates Z: 72 39.536 2.019 0.640 0.552 0.930 0.634 CB 1.448 72 residues pruned to eliminate duplicates Z: 81 41.130 2.045 0.592 0.548 0.913 0.613 CA 1.478 81 residues pruned to eliminate duplicates Z: 46 29.136 2.064 0.556 0.482 0.933 0.600 CA 1.476 46 residues pruned to eliminate duplicates Z: 76 41.081 2.072 0.614 0.548 0.947 0.560 CA 1.430 76 residues pruned to eliminate duplicates Z: 46 31.414 2.049 0.617 0.479 0.956 0.578 CB 1.511 46 residues pruned to eliminate duplicates Z: 68 40.785 2.062 0.609 0.581 0.940 0.537 CA 1.478 68 residues pruned to eliminate duplicates Z: 75 36.948 2.041 0.542 0.531 0.892 0.554 CB 1.484 72 residues pruned to eliminate duplicates Z: 6 4.784 1.957 -0.019 0.442 1.000 0.400 CB 1.182 6 residues pruned to eliminate duplicates Z: 46 28.906 2.051 0.549 0.488 0.933 0.533 CA 1.470 45 residues pruned to eliminate duplicates Z: 6 3.531 1.647 0.255 0.267 1.000 0.200 CA 0.995 6 residues pruned to eliminate duplicates Z: 19 16.220 2.070 0.492 0.355 0.889 0.389 CA 1.629 19 residues pruned to eliminate duplicates Z: 84 41.203 2.022 0.599 0.540 0.940 0.506 CA 1.432 84 residues pruned to eliminate duplicates Z: 31 21.138 2.028 0.595 0.388 0.833 0.433 CB 1.612 31 residues pruned to eliminate duplicates Z: 39 26.965 2.086 0.556 0.480 0.921 0.605 CB 1.494 39 residues pruned to eliminate duplicates Z: 24 17.506 2.035 0.513 0.416 0.870 0.478 CA 1.487 24 residues pruned to eliminate duplicates Z: 86 37.693 2.010 0.541 0.500 0.906 0.529 CA 1.456 86 residues pruned to eliminate duplicates Z: 18 18.282 2.077 0.689 0.351 0.882 0.471 CA 1.684 18 residues pruned to eliminate duplicates Z: 29 20.627 2.074 0.536 0.373 0.893 0.500 CA 1.569 29 residues pruned to eliminate duplicates Z: 54 26.585 1.947 0.502 0.452 0.943 0.509 CA 1.390 54 residues pruned to eliminate duplicates Z: 24 18.710 2.055 0.533 0.420 0.870 0.478 CB 1.548 24 residues pruned to eliminate duplicates Z: 32 24.430 2.064 0.547 0.414 0.935 0.516 CA 1.606 32 residues pruned to eliminate duplicates Z: 26 15.100 1.954 0.602 0.388 0.800 0.480 CA 1.357 26 residues pruned to eliminate duplicates Z: 23 22.685 2.012 0.714 0.501 0.864 0.545 CA 1.622 23 residues pruned to eliminate duplicates Z: 32 23.209 2.037 0.569 0.432 0.903 0.581 CB 1.550 32 residues pruned to eliminate duplicates Z: 28 16.058 1.855 0.534 0.425 0.815 0.519 CB 1.442 28 residues pruned to eliminate duplicates Z: 22 14.175 1.866 0.544 0.481 0.810 0.476 CA 1.351 22 residues pruned to eliminate duplicates Z: 9 4.173 1.574 0.729 0.173 0.750 0.125 CB 1.074 9 residues pruned to eliminate duplicates Z: 32 22.576 2.053 0.634 0.416 0.935 0.581 CA 1.411 32 residues pruned to eliminate duplicates Z: 25 15.361 1.954 0.413 0.542 0.917 0.667 CB 1.189 25 residues pruned to eliminate duplicates Z: 12 13.742 1.994 0.603 0.547 0.909 0.545 CB 1.361 13 residues pruned to eliminate duplicates Z: 6 4.716 1.545 0.555 0.365 0.800 0.200 CA 1.269 6 residues pruned to eliminate duplicates Z: 22 10.428 1.818 0.330 0.485 0.857 0.524 CB 1.114 22 residues pruned to eliminate duplicates Z: 12 12.225 1.919 0.582 0.535 0.909 0.455 CB 1.290 12 residues pruned to eliminate duplicates Z: 34 18.314 1.882 0.483 0.461 0.879 0.576 CA 1.352 34 residues pruned to eliminate duplicates Z: 6 3.743 1.597 0.894 0.336 0.800 0.600 CA 0.828 6 residues pruned to eliminate duplicates Z: 40 19.303 1.943 0.417 0.446 0.897 0.641 CB 1.323 40 residues pruned to eliminate duplicates Z: 30 16.012 1.880 0.514 0.451 0.862 0.448 CB 1.275 30 residues pruned to eliminate duplicates Z: 10 15.024 2.049 0.540 0.570 1.000 0.556 CB 1.482 10 residues pruned to eliminate duplicates Z: 24 18.734 1.990 0.597 0.523 0.913 0.565 CB 1.317 24 residues pruned to eliminate duplicates Z: 6 4.708 1.703 0.631 0.408 0.800 0.800 CA 1.044 6 residues pruned to eliminate duplicates Z: 10 12.790 1.926 0.925 0.561 0.889 0.667 CB 1.220 10 residues pruned to eliminate duplicates Z: 23 11.623 1.913 0.245 0.426 0.909 0.682 CB 1.237 23 residues pruned to eliminate duplicates Z: 40 20.473 1.947 0.487 0.449 0.897 0.538 CB 1.329 40 residues pruned to eliminate duplicates Z: 21 13.316 1.871 0.642 0.422 0.800 0.650 CA 1.314 21 residues pruned to eliminate duplicates Z: 19 10.175 1.869 0.352 0.411 0.833 0.611 CB 1.250 19 residues pruned to eliminate duplicates Z: 17 9.409 1.870 0.350 0.312 0.875 0.625 CB 1.311 17 residues pruned to eliminate duplicates Z: 16 12.745 1.953 0.577 0.382 0.800 0.667 CB 1.514 16 residues pruned to eliminate duplicates Z: 26 16.642 1.954 0.525 0.432 0.920 0.720 CA 1.303 26 residues pruned to eliminate duplicates Z: 17 8.813 1.878 0.281 0.275 0.875 0.625 CA 1.351 17 residues pruned to eliminate duplicates Z: 16 9.734 1.880 0.359 0.316 0.867 0.600 CB 1.390 16 residues pruned to eliminate duplicates Z: 23 10.385 1.902 0.310 0.331 0.818 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 28 10.042 1.771 0.348 0.321 0.852 0.407 CB 1.157 28 residues pruned to eliminate duplicates Z: 19 10.789 1.820 0.457 0.380 0.778 0.500 CB 1.401 19 residues pruned to eliminate duplicates Z: 19 9.990 1.756 0.311 0.377 0.889 0.500 CB 1.312 19 residues pruned to eliminate duplicates Z: 29 11.712 1.822 0.458 0.300 0.893 0.429 CB 1.166 29 residues pruned to eliminate duplicates Z: 17 10.544 1.875 0.397 0.337 0.875 0.500 CA 1.374 17 residues pruned to eliminate duplicates Z: 28 11.831 1.852 0.352 0.350 0.815 0.556 CB 1.313 28 residues pruned to eliminate duplicates Z: 21 12.699 1.842 0.334 0.438 0.900 0.450 CB 1.369 21 residues pruned to eliminate duplicates Z: 35 16.805 1.853 0.495 0.366 0.853 0.559 CB 1.408 35 residues pruned to eliminate duplicates Z: 15 7.753 1.805 0.117 0.334 0.857 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 34 17.609 1.853 0.444 0.410 0.909 0.485 CB 1.384 34 residues pruned to eliminate duplicates Z: 32 12.300 1.866 0.364 0.276 0.806 0.419 CB 1.387 32 residues pruned to eliminate duplicates Z: 28 13.193 1.889 0.437 0.299 0.815 0.370 CB 1.437 28 residues pruned to eliminate duplicates Z: 21 9.890 1.814 0.450 0.268 0.800 0.450 CB 1.368 21 residues pruned to eliminate duplicates Z: 40 18.485 1.898 0.479 0.374 0.872 0.436 CB 1.383 40 residues pruned to eliminate duplicates Z: 32 14.837 1.888 0.489 0.342 0.903 0.419 CB 1.246 32 residues pruned to eliminate duplicates Z: 25 10.764 1.795 0.527 0.331 0.792 0.375 CB 1.219 25 residues pruned to eliminate duplicates Z: 9 2.503 1.798 0.543 0.197 0.500 0.250 CB 0.915 9 residues pruned to eliminate duplicates Z: 20 10.947 1.950 0.350 0.343 0.895 0.474 CA 1.265 20 residues pruned to eliminate duplicates Z: 23 11.330 1.902 0.534 0.306 0.818 0.409 CB 1.254 23 residues pruned to eliminate duplicates Z: 49 21.505 1.989 0.514 0.318 0.833 0.438 CB 1.513 49 residues pruned to eliminate duplicates Z: 21 12.682 1.909 0.420 0.381 0.950 0.550 CB 1.249 21 residues pruned to eliminate duplicates Z: 22 11.343 1.873 0.493 0.354 0.810 0.476 CB 1.281 22 residues pruned to eliminate duplicates Z: 14 6.449 1.839 0.023 0.405 0.769 0.538 CA 1.366 14 residues pruned to eliminate duplicates Z: 13 13.695 1.958 0.473 0.482 1.000 0.750 CA 1.396 13 residues pruned to eliminate duplicates Z: 11 12.980 2.040 0.598 0.362 1.000 0.700 CA 1.460 11 residues pruned to eliminate duplicates Z: 36 16.184 1.842 0.383 0.408 0.914 0.429 CB 1.293 36 residues pruned to eliminate duplicates Z: 12 11.800 1.942 0.532 0.413 0.909 0.636 CA 1.441 12 residues pruned to eliminate duplicates Z: 12 10.567 1.962 0.377 0.469 1.000 0.727 CA 1.217 12 residues pruned to eliminate duplicates Z: 23 10.878 1.758 0.405 0.314 0.864 0.455 CB 1.336 23 residues pruned to eliminate duplicates Z: 8 5.084 2.059 0.135 0.206 0.857 0.571 CA 1.359 8 residues pruned to eliminate duplicates Z: 13 11.050 1.936 0.372 0.421 0.917 0.750 CA 1.422 13 residues pruned to eliminate duplicates Z: 29 14.506 2.007 0.391 0.399 0.786 0.536 CB 1.391 29 residues pruned to eliminate duplicates Z: 24 12.310 2.005 0.425 0.314 0.783 0.435 CB 1.411 24 residues pruned to eliminate duplicates Z: 30 16.172 1.981 0.501 0.373 0.862 0.517 CA 1.342 30 residues pruned to eliminate duplicates Z: 31 16.282 1.992 0.433 0.426 0.833 0.500 CB 1.350 31 residues pruned to eliminate duplicates Z: 30 17.531 2.014 0.457 0.416 0.828 0.552 CA 1.465 30 residues pruned to eliminate duplicates Z: 15 10.389 2.162 0.351 0.381 0.786 0.429 CB 1.374 15 residues pruned to eliminate duplicates Z: 25 11.499 2.022 0.364 0.321 0.750 0.542 CB 1.382 25 residues pruned to eliminate duplicates Z: 13 5.433 2.019 0.133 0.193 0.750 0.333 CB 1.318 13 residues pruned to eliminate duplicates Z: 28 14.882 2.031 0.330 0.436 0.815 0.481 CB 1.390 28 residues pruned to eliminate duplicates Z: 15 7.880 2.098 0.148 0.320 0.786 0.429 CB 1.357 15 residues pruned to eliminate duplicates Z: 17 11.265 1.992 0.578 0.423 0.750 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 30 16.732 2.008 0.407 0.412 0.862 0.517 CB 1.399 30 residues pruned to eliminate duplicates Z: 30 17.410 1.955 0.392 0.422 0.897 0.586 CA 1.436 30 residues pruned to eliminate duplicates Z: 18 10.564 1.923 0.347 0.402 0.882 0.412 CB 1.243 18 residues pruned to eliminate duplicates Z: 14 8.188 2.113 0.379 0.376 0.692 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 25 8.089 1.865 0.351 0.225 0.792 0.458 CB 1.142 25 residues pruned to eliminate duplicates Z: 25 10.973 2.007 0.467 0.270 0.708 0.417 CB 1.395 25 residues pruned to eliminate duplicates Z: 25 14.537 2.052 0.510 0.336 0.792 0.417 CB 1.447 25 residues pruned to eliminate duplicates Z: 32 10.647 1.925 0.322 0.263 0.774 0.387 CB 1.273 32 residues pruned to eliminate duplicates Z: 29 11.110 1.852 0.321 0.290 0.786 0.357 CB 1.383 29 residues pruned to eliminate duplicates Z: 24 13.059 2.052 0.384 0.327 0.826 0.391 CB 1.404 24 residues pruned to eliminate duplicates Z: 24 12.760 2.005 0.336 0.334 0.826 0.478 CB 1.442 24 residues pruned to eliminate duplicates Z: 12 7.209 1.993 0.237 0.290 0.727 0.455 C 1.533 12 residues pruned to eliminate duplicates Z: 13 7.645 1.825 0.419 0.288 0.750 0.500 N 1.442 13 residues pruned to eliminate duplicates Z: 30 24.053 2.026 0.504 0.590 0.897 0.621 CB 1.500 30 residues pruned to eliminate duplicates Z: 34 27.870 2.037 0.494 0.640 0.879 0.788 CB 1.591 34 residues pruned to eliminate duplicates Z: 39 17.064 1.937 0.490 0.324 0.789 0.579 CA 1.474 39 residues pruned to eliminate duplicates Z: 28 26.501 2.017 0.412 0.706 1.000 0.815 CA 1.485 28 residues pruned to eliminate duplicates Z: 38 22.283 1.964 0.346 0.574 0.838 0.676 CA 1.540 38 residues pruned to eliminate duplicates Z: 28 30.018 1.998 0.494 0.745 1.000 0.741 CB 1.555 28 residues pruned to eliminate duplicates Z: 23 15.742 2.023 0.235 0.689 0.864 0.682 CB 1.308 23 residues pruned to eliminate duplicates Z: 58 21.194 2.005 0.296 0.457 0.789 0.456 CB 1.430 58 residues pruned to eliminate duplicates Z: 17 16.671 2.135 0.214 0.666 0.875 0.688 CB 1.577 17 residues pruned to eliminate duplicates Z: 55 24.436 1.967 0.424 0.486 0.796 0.426 CB 1.513 55 residues pruned to eliminate duplicates Z: 27 27.671 2.004 0.509 0.692 0.923 0.654 CA 1.630 27 residues pruned to eliminate duplicates Z: 26 29.911 2.112 0.510 0.706 0.960 0.720 CB 1.620 26 residues pruned to eliminate duplicates Z: 22 19.191 2.063 0.405 0.649 0.857 0.524 CB 1.467 22 residues pruned to eliminate duplicates Z: 26 30.476 2.053 0.586 0.705 1.000 0.560 CA 1.555 26 residues pruned to eliminate duplicates Z: 27 25.926 2.050 0.371 0.675 0.962 0.654 CB 1.601 27 residues pruned to eliminate duplicates Z: 23 28.647 2.087 0.654 0.682 0.955 0.455 CB 1.568 23 residues pruned to eliminate duplicates Z: 31 25.986 2.023 0.484 0.598 0.967 0.500 CB 1.489 31 residues pruned to eliminate duplicates Z: 24 26.478 2.072 0.682 0.639 0.957 0.435 CB 1.454 24 residues pruned to eliminate duplicates Z: 24 23.958 2.004 0.592 0.657 0.870 0.435 CA 1.557 24 residues pruned to eliminate duplicates Z: 13 17.774 2.158 0.577 0.791 0.833 0.250 CB 1.402 13 residues pruned to eliminate duplicates Z: 48 25.333 2.060 0.472 0.448 0.809 0.340 CB 1.589 48 residues pruned to eliminate duplicates Z: 27 31.848 2.046 0.640 0.705 0.923 0.500 CB 1.673 27 residues pruned to eliminate duplicates Z: 22 21.397 2.064 0.532 0.599 0.857 0.571 CB 1.567 22 residues pruned to eliminate duplicates Z: 30 19.328 1.876 0.629 0.562 0.862 0.276 CB 1.283 30 residues pruned to eliminate duplicates Z: 6 3.008 1.730 0.151 0.100 0.800 0.400 CA 1.407 6 residues pruned to eliminate duplicates Z: 31 18.676 1.967 0.476 0.558 0.767 0.267 CA 1.448 31 residues pruned to eliminate duplicates Z: 11 6.896 1.803 0.233 0.427 0.800 0.300 CB 1.323 11 residues pruned to eliminate duplicates Z: 38 26.430 2.052 0.525 0.602 0.919 0.595 CB 1.370 38 residues pruned to eliminate duplicates Z: 9 12.027 2.030 0.556 0.672 0.750 0.500 CA 1.531 9 residues pruned to eliminate duplicates Z: 50 31.762 2.132 0.598 0.539 0.878 0.429 CB 1.460 50 residues pruned to eliminate duplicates Z: 10 7.702 1.835 0.169 0.564 0.889 0.444 CA 1.265 10 residues pruned to eliminate duplicates Z: 33 27.604 2.182 0.530 0.512 0.906 0.625 CB 1.593 34 residues pruned to eliminate duplicates Z: 10 8.760 1.834 0.391 0.498 0.778 0.333 CA 1.474 10 residues pruned to eliminate duplicates Z: 35 27.613 2.151 0.588 0.508 0.882 0.500 CB 1.560 35 residues pruned to eliminate duplicates Z: 7 3.077 1.466 0.450 0.389 1.000 0.500 CA 0.665 7 residues pruned to eliminate duplicates Z: 39 26.174 2.126 0.672 0.456 0.816 0.526 CB 1.531 39 residues pruned to eliminate duplicates Z: 20 17.644 2.138 0.532 0.414 0.895 0.368 CA 1.510 20 residues pruned to eliminate duplicates Z: 36 27.110 2.124 0.636 0.474 0.914 0.543 CB 1.480 36 residues pruned to eliminate duplicates Z: 37 25.259 2.123 0.484 0.483 0.917 0.500 CB 1.483 37 residues pruned to eliminate duplicates Z: 20 17.177 2.074 0.611 0.380 0.947 0.421 CA 1.415 20 residues pruned to eliminate duplicates Z: 29 25.467 2.150 0.679 0.494 0.893 0.607 CB 1.503 29 residues pruned to eliminate duplicates Z: 35 29.827 2.139 0.648 0.506 0.912 0.559 CA 1.582 35 residues pruned to eliminate duplicates Z: 35 26.293 2.143 0.628 0.483 0.853 0.500 CA 1.541 35 residues pruned to eliminate duplicates Z: 107 34.394 2.046 0.460 0.456 0.802 0.443 CB 1.459 107 residues pruned to eliminate duplicates Z: 35 25.805 2.140 0.523 0.497 0.882 0.647 CB 1.544 35 residues pruned to eliminate duplicates Z: 34 28.598 2.174 0.646 0.471 0.909 0.576 CB 1.576 34 residues pruned to eliminate duplicates Z: 36 23.844 2.136 0.485 0.502 0.857 0.543 CB 1.479 36 residues pruned to eliminate duplicates Z: 35 25.898 2.146 0.592 0.478 0.882 0.500 CB 1.507 35 residues pruned to eliminate duplicates Z: 34 26.496 2.167 0.507 0.518 0.909 0.515 CB 1.525 34 residues pruned to eliminate duplicates Z: 34 27.999 2.184 0.540 0.490 0.939 0.606 CB 1.558 34 residues pruned to eliminate duplicates Z: 37 25.954 2.116 0.560 0.489 0.889 0.611 CB 1.491 37 residues pruned to eliminate duplicates Z: 38 25.857 2.099 0.516 0.461 0.919 0.595 CB 1.513 38 residues pruned to eliminate duplicates Z: 22 18.144 2.121 0.317 0.483 0.952 0.524 CB 1.515 22 residues pruned to eliminate duplicates Z: 34 21.645 2.143 0.512 0.428 0.848 0.485 CB 1.476 34 residues pruned to eliminate duplicates Z: 34 25.994 2.186 0.603 0.488 0.879 0.576 CB 1.487 34 residues pruned to eliminate duplicates Z: 36 26.698 2.131 0.639 0.471 0.886 0.543 CB 1.502 36 residues pruned to eliminate duplicates Z: 37 25.641 2.119 0.539 0.493 0.889 0.417 CB 1.485 37 residues pruned to eliminate duplicates Z: 15 13.648 1.758 0.500 0.632 0.929 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 36 23.789 2.089 0.569 0.450 0.886 0.486 CB 1.457 35 residues pruned to eliminate duplicates Z: 6 8.710 2.014 0.427 0.790 0.800 0.600 CB 1.313 6 residues pruned to eliminate duplicates Z: 9 4.272 1.674 0.327 0.283 0.625 0.250 C 1.389 9 residues pruned to eliminate duplicates Z: 20 9.431 1.683 0.306 0.386 0.789 0.632 CA 1.407 18 residues pruned to eliminate duplicates Z: 6 3.516 1.532 0.302 0.353 1.000 0.800 CA 0.924 6 residues pruned to eliminate duplicates Z: 12 9.046 1.784 0.210 0.580 0.909 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 13 8.160 1.753 0.355 0.529 0.833 0.667 CA 1.157 13 residues pruned to eliminate duplicates Z: 12 9.295 1.761 0.369 0.566 0.909 0.636 CA 1.200 12 residues pruned to eliminate duplicates Z: 10 8.540 1.796 0.346 0.575 0.889 0.556 CA 1.233 10 residues pruned to eliminate duplicates Z: 12 11.024 1.768 0.473 0.586 0.909 0.727 CA 1.293 12 residues pruned to eliminate duplicates Z: 35 18.341 2.085 0.518 0.328 0.824 0.382 CB 1.457 35 residues pruned to eliminate duplicates Z: 24 11.950 1.839 0.284 0.377 0.870 0.391 CA 1.383 24 residues pruned to eliminate duplicates Z: 24 17.544 2.048 0.408 0.453 0.870 0.652 CB 1.531 24 residues pruned to eliminate duplicates Z: 41 16.312 1.965 0.485 0.348 0.775 0.425 CB 1.345 41 residues pruned to eliminate duplicates Z: 34 14.219 2.083 0.412 0.304 0.758 0.424 CB 1.381 32 residues pruned to eliminate duplicates Z: 7 3.988 1.536 0.821 0.333 0.667 0.333 CB 1.048 7 residues pruned to eliminate duplicates Z: 25 10.219 2.015 0.243 0.318 0.750 0.417 CB 1.358 14 residues pruned to eliminate duplicates Z: 6 2.183 1.534 -0.106 0.366 1.000 0.400 N 0.822 Z: 9 8.225 1.759 0.818 0.422 0.875 0.375 CA 1.127 15 residues pruned to eliminate duplicates Z: 27 13.742 2.088 0.423 0.309 0.808 0.462 CB 1.388 27 residues pruned to eliminate duplicates Z: 10 8.001 2.094 0.571 0.175 0.778 0.444 CB 1.544 10 residues pruned to eliminate duplicates Z: 12 5.545 2.043 0.307 0.252 0.636 0.364 CB 1.309 12 residues pruned to eliminate duplicates Z: 33 14.202 2.066 0.375 0.296 0.812 0.469 CB 1.367 33 residues pruned to eliminate duplicates Z: 33 18.816 2.138 0.511 0.341 0.844 0.500 CB 1.450 33 residues pruned to eliminate duplicates Z: 34 17.482 2.121 0.408 0.330 0.818 0.455 CB 1.502 34 residues pruned to eliminate duplicates Z: 29 16.404 2.044 0.430 0.327 0.857 0.464 CB 1.496 29 residues pruned to eliminate duplicates Z: 27 16.324 2.069 0.441 0.319 0.885 0.538 CA 1.483 27 residues pruned to eliminate duplicates Z: 28 15.004 2.058 0.526 0.309 0.778 0.519 CA 1.461 28 residues pruned to eliminate duplicates Z: 36 15.891 2.075 0.393 0.317 0.800 0.371 CB 1.423 36 residues pruned to eliminate duplicates Z: 19 11.518 2.008 0.355 0.414 0.833 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 13.294 2.038 0.452 0.447 0.812 0.562 CA 1.460 17 residues pruned to eliminate duplicates Z: 28 17.091 2.032 0.531 0.301 0.852 0.481 CB 1.550 28 residues pruned to eliminate duplicates Z: 17 13.857 2.041 0.428 0.429 0.875 0.500 CA 1.463 9 residues pruned to eliminate duplicates 7 1.672 1.460 0.139 0.390 0.500 0.167 CB 0.922 ? Z: 6 4.821 1.876 0.423 0.409 1.000 0.400 CA 0.889 6 residues pruned to eliminate duplicates Z: 56 21.411 2.044 0.405 0.365 0.800 0.473 CB 1.452 38 residues pruned to eliminate duplicates Z: 6 4.976 1.762 0.601 0.423 0.800 0.800 CA 1.068 6 residues pruned to eliminate duplicates Z: 58 24.823 2.007 0.278 0.412 0.912 0.596 CA 1.540 58 residues pruned to eliminate duplicates Z: 21 14.971 1.930 0.312 0.475 0.950 0.600 CB 1.428 21 residues pruned to eliminate duplicates Z: 60 20.081 1.940 0.277 0.355 0.831 0.525 CB 1.485 60 residues pruned to eliminate duplicates Z: 44 16.425 1.967 0.387 0.318 0.767 0.442 CB 1.463 44 residues pruned to eliminate duplicates Z: 26 14.343 1.849 0.381 0.400 0.880 0.520 CB 1.418 26 residues pruned to eliminate duplicates Z: 43 20.097 1.989 0.287 0.424 0.857 0.571 CB 1.529 43 residues pruned to eliminate duplicates Z: 69 25.497 2.030 0.307 0.366 0.897 0.559 CB 1.500 69 residues pruned to eliminate duplicates Z: 49 19.795 2.028 0.369 0.354 0.833 0.500 CB 1.446 49 residues pruned to eliminate duplicates Z: 21 10.658 1.928 0.095 0.412 0.900 0.550 CA 1.376 21 residues pruned to eliminate duplicates Z: 17 13.479 2.004 0.313 0.447 0.938 0.500 CB 1.443 17 residues pruned to eliminate duplicates Z: 11 8.779 2.009 0.055 0.548 0.900 0.600 CA 1.388 11 residues pruned to eliminate duplicates Z: 54 17.574 1.943 0.338 0.331 0.811 0.547 CB 1.376 54 residues pruned to eliminate duplicates Z: 51 23.148 2.021 0.344 0.403 0.900 0.560 CA 1.484 51 residues pruned to eliminate duplicates Z: 74 25.348 2.014 0.420 0.384 0.836 0.452 CB 1.404 74 residues pruned to eliminate duplicates Z: 8 13.028 2.072 0.553 0.741 1.000 0.714 CA 1.233 8 residues pruned to eliminate duplicates Z: 61 22.162 2.007 0.451 0.373 0.800 0.583 CB 1.407 61 residues pruned to eliminate duplicates Z: 29 19.942 1.980 0.370 0.424 0.964 0.536 CA 1.560 29 residues pruned to eliminate duplicates Z: 8 7.975 1.876 0.396 0.390 1.000 0.571 CA 1.293 21 residues pruned to eliminate duplicates Z: 54 26.327 1.962 0.412 0.466 0.906 0.623 CB 1.493 54 residues pruned to eliminate duplicates Z: 16 13.950 2.018 0.395 0.486 0.867 0.667 CB 1.497 16 residues pruned to eliminate duplicates Z: 17 15.985 1.992 0.529 0.477 0.875 0.750 CB 1.536 17 residues pruned to eliminate duplicates Z: 16 14.706 2.054 0.344 0.407 0.933 0.600 CB 1.625 16 residues pruned to eliminate duplicates Z: 13 12.690 2.052 0.430 0.413 0.833 0.667 CB 1.641 13 residues pruned to eliminate duplicates Z: 19 12.926 1.899 0.383 0.381 0.944 0.611 CB 1.394 19 residues pruned to eliminate duplicates Z: 18 14.636 1.910 0.600 0.366 0.882 0.529 CB 1.519 18 residues pruned to eliminate duplicates Z: 21 15.644 1.924 0.566 0.431 0.850 0.500 CB 1.467 21 residues pruned to eliminate duplicates Z: 15 14.004 2.011 0.390 0.438 0.929 0.714 CB 1.537 15 residues pruned to eliminate duplicates Z: 16 14.806 2.030 0.436 0.404 0.933 0.600 CB 1.555 16 residues pruned to eliminate duplicates Z: 20 14.601 1.849 0.699 0.428 0.895 0.789 CB 1.284 20 residues pruned to eliminate duplicates Z: 20 16.200 2.002 0.506 0.494 0.842 0.684 CB 1.472 20 residues pruned to eliminate duplicates Z: 37 23.841 1.992 0.462 0.481 0.889 0.611 CB 1.565 37 residues pruned to eliminate duplicates Z: 24 20.117 1.930 0.587 0.468 0.957 0.522 CB 1.480 24 residues pruned to eliminate duplicates Z: 16 16.740 2.097 0.352 0.486 0.933 0.800 CB 1.656 16 residues pruned to eliminate duplicates Z: 31 21.002 1.950 0.634 0.462 0.900 0.667 CA 1.390 31 residues pruned to eliminate duplicates Z: 41 39.706 2.137 0.810 0.650 0.925 0.625 CB 1.525 41 residues pruned to eliminate duplicates Z: 56 24.539 1.955 0.456 0.437 0.873 0.636 CB 1.421 56 residues pruned to eliminate duplicates Z: 11 9.718 1.993 0.608 0.344 0.800 0.500 CB 1.420 11 residues pruned to eliminate duplicates Z: 83 52.950 2.150 0.718 0.596 0.951 0.707 CB 1.518 83 residues pruned to eliminate duplicates Z: 9 9.230 2.051 0.466 0.417 0.750 0.500 CA 1.579 9 residues pruned to eliminate duplicates Z: 9 8.866 2.043 0.442 0.424 0.750 0.500 N 1.536 9 residues pruned to eliminate duplicates Z: 14 8.737 1.876 0.459 0.395 0.769 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 44 30.930 2.078 0.594 0.601 0.930 0.698 CA 1.391 44 residues pruned to eliminate duplicates Z: 83 47.230 2.130 0.657 0.556 0.915 0.622 CA 1.531 83 residues pruned to eliminate duplicates Z: 44 37.393 2.118 0.739 0.630 0.930 0.744 CA 1.473 44 residues pruned to eliminate duplicates Z: 52 44.067 2.116 0.694 0.693 0.961 0.725 CA 1.502 52 residues pruned to eliminate duplicates Z: 84 51.292 2.129 0.724 0.579 0.928 0.614 CA 1.532 84 residues pruned to eliminate duplicates Z: 7 4.860 1.600 0.448 0.485 1.000 0.500 CB 0.869 7 residues pruned to eliminate duplicates Z: 32 41.192 2.194 0.800 0.730 1.000 0.806 CA 1.524 32 residues pruned to eliminate duplicates Z: 44 43.187 2.164 0.711 0.695 1.000 0.744 CA 1.488 44 residues pruned to eliminate duplicates Z: 73 49.518 2.158 0.708 0.593 0.944 0.583 CA 1.534 73 residues pruned to eliminate duplicates Z: 68 49.597 2.161 0.756 0.602 0.955 0.687 CA 1.517 68 residues pruned to eliminate duplicates Z: 71 47.847 2.169 0.712 0.582 0.943 0.643 CB 1.509 71 residues pruned to eliminate duplicates Z: 32 34.610 2.155 0.654 0.681 1.000 0.774 CA 1.477 32 residues pruned to eliminate duplicates Z: 71 45.563 2.107 0.747 0.599 0.900 0.671 CA 1.496 71 residues pruned to eliminate duplicates Z: 73 49.428 2.174 0.766 0.573 0.917 0.611 CB 1.543 73 residues pruned to eliminate duplicates Z: 44 34.204 2.109 0.725 0.576 0.860 0.651 CB 1.548 44 residues pruned to eliminate duplicates Z: 39 36.647 2.121 0.667 0.664 0.947 0.711 CA 1.526 39 residues pruned to eliminate duplicates Z: 32 39.360 2.178 0.848 0.738 1.000 0.742 CA 1.419 32 residues pruned to eliminate duplicates Z: 72 49.067 2.172 0.654 0.617 0.958 0.704 CB 1.515 72 residues pruned to eliminate duplicates Z: 44 40.552 2.173 0.716 0.690 0.977 0.767 CA 1.427 44 residues pruned to eliminate duplicates Z: 66 44.863 2.172 0.635 0.587 0.954 0.662 CB 1.512 66 residues pruned to eliminate duplicates Z: 55 40.983 2.135 0.663 0.632 0.944 0.611 CA 1.470 55 residues pruned to eliminate duplicates Z: 55 38.572 2.105 0.633 0.642 0.926 0.667 CA 1.444 55 residues pruned to eliminate duplicates Z: 81 45.372 2.125 0.698 0.559 0.900 0.688 CB 1.475 81 residues pruned to eliminate duplicates Z: 55 42.416 2.121 0.754 0.643 0.926 0.704 CA 1.465 55 residues pruned to eliminate duplicates Z: 73 47.955 2.155 0.696 0.588 0.931 0.597 CA 1.527 73 residues pruned to eliminate duplicates Z: 59 40.823 2.120 0.642 0.581 0.931 0.655 CA 1.530 59 residues pruned to eliminate duplicates Z: 74 48.787 2.148 0.644 0.622 0.945 0.630 CB 1.525 74 residues pruned to eliminate duplicates Z: 75 49.275 2.118 0.700 0.606 0.959 0.703 CB 1.499 75 residues pruned to eliminate duplicates Z: 94 44.616 2.105 0.674 0.518 0.871 0.613 CB 1.481 94 residues pruned to eliminate duplicates Z: 47 38.338 2.058 0.705 0.648 0.935 0.500 CA 1.502 47 residues pruned to eliminate duplicates Z: 68 41.860 2.152 0.607 0.549 0.910 0.567 CB 1.548 68 residues pruned to eliminate duplicates Z: 54 43.000 2.161 0.643 0.657 0.925 0.679 CB 1.556 54 residues pruned to eliminate duplicates Z: 40 26.497 2.128 0.607 0.470 0.949 0.538 CB 1.349 40 residues pruned to eliminate duplicates Z: 32 26.658 2.190 0.668 0.489 0.903 0.613 CB 1.467 32 residues pruned to eliminate duplicates Z: 44 38.769 2.167 0.595 0.704 0.977 0.744 CA 1.454 44 residues pruned to eliminate duplicates Z: 26 21.465 2.217 0.532 0.469 0.880 0.480 CB 1.483 26 residues pruned to eliminate duplicates Z: 14 13.037 1.960 0.517 0.652 0.923 0.692 CB 1.143 14 residues pruned to eliminate duplicates Z: 15 15.351 2.109 0.376 0.633 1.000 0.500 CB 1.248 15 residues pruned to eliminate duplicates Z: 66 49.891 2.196 0.745 0.572 0.985 0.585 CB 1.529 66 residues pruned to eliminate duplicates Z: 42 32.260 2.120 0.772 0.529 0.927 0.585 CB 1.406 42 residues pruned to eliminate duplicates Z: 67 47.004 2.181 0.762 0.584 0.909 0.424 CB 1.528 67 residues pruned to eliminate duplicates Z: 101 48.578 2.112 0.713 0.535 0.870 0.600 CB 1.491 101 residues pruned to eliminate duplicates Z: 73 52.589 2.178 0.685 0.623 0.972 0.597 CA 1.546 73 residues pruned to eliminate duplicates Z: 42 32.005 2.139 0.723 0.512 0.951 0.561 CB 1.408 42 residues pruned to eliminate duplicates Z: 75 51.696 2.136 0.769 0.617 0.986 0.581 CB 1.443 74 residues pruned to eliminate duplicates Z: 6 3.605 1.566 0.886 0.233 0.800 0.600 CA 0.932 6 residues pruned to eliminate duplicates Z: 30 27.696 2.172 0.718 0.472 0.966 0.552 CB 1.469 31 residues pruned to eliminate duplicates Z: 6 2.707 1.720 0.033 0.155 0.800 0.200 C 1.300 6 residues pruned to eliminate duplicates Z: 42 25.967 2.052 0.585 0.425 1.000 0.415 CB 1.348 42 residues pruned to eliminate duplicates Z: 91 47.961 2.118 0.702 0.522 0.900 0.622 CB 1.526 91 residues pruned to eliminate duplicates Z: 35 24.884 2.148 0.815 0.432 0.853 0.500 CB 1.377 35 residues pruned to eliminate duplicates Z: 35 29.372 2.154 0.769 0.529 0.941 0.500 CB 1.365 35 residues pruned to eliminate duplicates Z: 66 48.565 2.189 0.747 0.605 0.969 0.631 CB 1.471 66 residues pruned to eliminate duplicates Z: 119 48.435 2.073 0.590 0.520 0.932 0.517 CB 1.423 119 residues pruned to eliminate duplicates Z: 19 14.007 2.089 0.570 0.378 0.889 0.500 CB 1.289 19 residues pruned to eliminate duplicates Z: 20 18.038 2.117 0.773 0.306 0.947 0.526 CB 1.443 20 residues pruned to eliminate duplicates Z: 43 33.555 2.106 0.837 0.552 0.929 0.500 CB 1.370 43 residues pruned to eliminate duplicates Z: 6 3.831 1.627 0.586 0.388 0.800 0.400 CB 0.934 6 residues pruned to eliminate duplicates Z: 40 34.091 2.209 0.696 0.544 0.949 0.462 CB 1.471 40 residues pruned to eliminate duplicates Z: 68 46.489 2.170 0.739 0.564 0.940 0.612 CA 1.505 68 residues pruned to eliminate duplicates Z: 21 21.543 2.143 0.789 0.505 0.850 0.600 CB 1.471 21 residues pruned to eliminate duplicates Z: 15 14.539 2.215 0.769 0.389 0.786 0.500 CB 1.421 15 residues pruned to eliminate duplicates Z: 42 32.094 2.154 0.681 0.543 0.927 0.537 CB 1.431 42 residues pruned to eliminate duplicates Z: 75 50.316 2.158 0.764 0.591 0.946 0.514 CB 1.489 75 residues pruned to eliminate duplicates Z: 22 22.520 2.121 0.823 0.517 0.905 0.524 CB 1.382 22 residues pruned to eliminate duplicates Z: 73 51.240 2.159 0.851 0.584 0.958 0.542 CB 1.454 73 residues pruned to eliminate duplicates Z: 14 20.408 1.990 0.717 0.672 1.000 0.615 CA 1.414 14 residues pruned to eliminate duplicates Z: 21 25.447 2.086 0.977 0.594 0.950 0.600 CB 1.328 21 residues pruned to eliminate duplicates Z: 9 17.960 1.966 0.746 0.851 1.000 0.500 CB 1.369 9 residues pruned to eliminate duplicates Z: 14 19.986 2.014 0.566 0.764 0.923 0.615 CA 1.506 14 residues pruned to eliminate duplicates Z: 29 27.074 2.196 0.881 0.462 0.857 0.536 CB 1.502 29 residues pruned to eliminate duplicates Z: 6 4.024 1.702 0.425 0.146 0.800 0.400 CA 1.436 Z: 6 7.721 1.688 0.745 0.514 0.800 0.600 CA 1.446 6 residues pruned to eliminate duplicates Z: 13 16.211 1.861 0.828 0.459 1.000 0.500 CB 1.435 19 residues pruned to eliminate duplicates Z: 6 3.142 1.556 0.760 0.131 0.800 0.200 CB 1.016 Z: 22 29.991 2.033 0.690 0.842 1.000 0.476 CB 1.419 22 residues pruned to eliminate duplicates Z: 37 34.129 2.030 0.758 0.610 0.972 0.667 CA 1.478 37 residues pruned to eliminate duplicates Z: 35 35.847 2.106 0.761 0.633 0.941 0.647 CB 1.554 35 residues pruned to eliminate duplicates Z: 35 35.696 2.085 0.794 0.657 0.941 0.588 CA 1.504 35 residues pruned to eliminate duplicates Z: 37 35.981 2.044 0.814 0.644 0.944 0.694 CB 1.497 37 residues pruned to eliminate duplicates Z: 63 45.078 2.053 0.747 0.639 0.968 0.597 CB 1.449 63 residues pruned to eliminate duplicates Z: 64 41.713 2.019 0.758 0.606 0.905 0.571 CB 1.480 64 residues pruned to eliminate duplicates Z: 75 42.945 2.030 0.711 0.551 0.919 0.595 CB 1.488 75 residues pruned to eliminate duplicates Z: 31 28.572 2.032 0.744 0.569 0.933 0.667 CB 1.475 52 residues pruned to eliminate duplicates Z: 11 14.998 1.829 0.474 0.872 1.000 0.800 CB 1.283 11 residues pruned to eliminate duplicates Z: 12 18.709 1.856 0.691 0.811 1.000 0.909 CA 1.370 12 residues pruned to eliminate duplicates Z: 64 43.411 2.023 0.834 0.590 0.952 0.619 CB 1.420 64 residues pruned to eliminate duplicates Z: 33 26.617 1.962 0.814 0.501 0.969 0.656 CB 1.363 33 residues pruned to eliminate duplicates Z: 64 43.887 2.046 0.767 0.626 0.952 0.619 CB 1.426 64 residues pruned to eliminate duplicates Z: 29 27.624 2.048 0.793 0.536 0.929 0.607 CA 1.478 29 residues pruned to eliminate duplicates Z: 65 47.144 2.063 0.834 0.631 0.938 0.750 CB 1.469 65 residues pruned to eliminate duplicates Z: 52 37.564 2.014 0.853 0.642 0.922 0.686 CB 1.340 52 residues pruned to eliminate duplicates Z: 64 40.775 2.029 0.757 0.559 0.921 0.651 CA 1.479 64 residues pruned to eliminate duplicates Z: 33 29.861 1.985 0.956 0.534 0.969 0.594 CB 1.357 30 residues pruned to eliminate duplicates Z: 6 5.108 1.735 1.364 0.291 0.800 0.600 CA 0.880 6 residues pruned to eliminate duplicates Z: 64 43.445 2.043 0.796 0.568 0.921 0.651 CB 1.517 32 residues pruned to eliminate duplicates Z: 7 5.477 1.916 0.341 0.376 0.833 0.333 CA 1.191 Z: 21 17.183 1.939 0.728 0.341 1.000 0.550 CB 1.363 21 residues pruned to eliminate duplicates Z: 32 27.385 1.980 0.766 0.524 0.935 0.710 CB 1.469 32 residues pruned to eliminate duplicates Z: 32 31.739 2.033 0.916 0.520 0.935 0.581 CA 1.533 32 residues pruned to eliminate duplicates Z: 30 28.684 2.063 0.760 0.556 0.897 0.655 CB 1.549 30 residues pruned to eliminate duplicates Z: 69 40.415 1.994 0.712 0.582 0.912 0.603 CB 1.456 69 residues pruned to eliminate duplicates Z: 22 17.976 2.088 0.818 0.288 0.857 0.476 CA 1.529 22 residues pruned to eliminate duplicates Z: 18 14.527 2.064 0.570 0.310 0.941 0.588 CA 1.425 18 residues pruned to eliminate duplicates Z: 32 26.042 1.992 0.890 0.491 0.903 0.484 CB 1.387 32 residues pruned to eliminate duplicates Z: 33 19.126 1.943 0.608 0.413 0.875 0.469 CA 1.354 33 residues pruned to eliminate duplicates Z: 54 36.890 2.064 0.661 0.509 0.962 0.623 CA 1.523 54 residues pruned to eliminate duplicates Z: 52 31.400 2.004 0.622 0.526 0.902 0.667 CA 1.461 52 residues pruned to eliminate duplicates Z: 64 42.816 2.034 0.664 0.616 0.952 0.730 CB 1.500 64 residues pruned to eliminate duplicates Z: 40 31.300 1.967 0.655 0.563 0.949 0.692 CB 1.527 40 residues pruned to eliminate duplicates Z: 48 33.194 2.042 0.594 0.542 0.936 0.723 CA 1.525 48 residues pruned to eliminate duplicates Z: 32 31.570 2.078 0.639 0.621 0.935 0.774 CA 1.588 32 residues pruned to eliminate duplicates Z: 37 28.802 2.036 0.562 0.612 0.917 0.750 CA 1.482 37 residues pruned to eliminate duplicates Z: 29 26.420 2.093 0.439 0.666 0.964 0.786 CA 1.474 29 residues pruned to eliminate duplicates Z: 31 30.607 2.087 0.625 0.644 0.967 0.800 CA 1.490 31 residues pruned to eliminate duplicates Z: 30 29.421 2.103 0.639 0.645 0.966 0.759 CA 1.433 30 residues pruned to eliminate duplicates Z: 48 32.198 1.941 0.666 0.588 0.936 0.723 CA 1.426 45 residues pruned to eliminate duplicates Z: 22 26.150 2.058 0.417 0.837 1.000 0.857 CB 1.464 22 residues pruned to eliminate duplicates Z: 43 27.887 1.962 0.510 0.615 0.976 0.738 CA 1.334 43 residues pruned to eliminate duplicates Z: 36 31.808 2.044 0.693 0.643 0.914 0.857 CB 1.486 36 residues pruned to eliminate duplicates Z: 37 31.392 2.032 0.589 0.622 0.944 0.778 CB 1.529 37 residues pruned to eliminate duplicates Z: 48 39.266 2.007 0.804 0.675 0.936 0.723 CB 1.438 47 residues pruned to eliminate duplicates Z: 22 32.408 1.959 0.812 0.873 1.000 0.905 CA 1.452 22 residues pruned to eliminate duplicates Z: 46 35.834 2.087 0.802 0.549 0.933 0.667 CA 1.451 46 residues pruned to eliminate duplicates Z: 39 33.770 2.023 0.738 0.607 0.947 0.711 CB 1.485 39 residues pruned to eliminate duplicates Z: 63 46.746 2.041 0.862 0.593 0.952 0.661 CB 1.502 63 residues pruned to eliminate duplicates Z: 31 29.429 2.035 0.824 0.600 0.933 0.500 CB 1.411 31 residues pruned to eliminate duplicates Z: 35 34.476 2.062 0.725 0.646 0.971 0.676 CA 1.495 35 residues pruned to eliminate duplicates Z: 62 43.922 2.051 0.831 0.589 0.951 0.557 CA 1.446 63 residues pruned to eliminate duplicates Z: 21 41.520 2.091 1.056 0.927 1.000 0.650 CB 1.513 21 residues pruned to eliminate duplicates Z: 37 35.094 2.032 0.754 0.641 0.944 0.667 CB 1.522 37 residues pruned to eliminate duplicates Z: 56 36.532 2.080 0.687 0.525 0.909 0.564 CB 1.506 56 residues pruned to eliminate duplicates Z: 35 38.263 2.111 0.825 0.659 0.941 0.647 CA 1.561 35 residues pruned to eliminate duplicates Z: 14 11.880 1.903 0.735 0.390 0.846 0.615 CB 1.325 14 residues pruned to eliminate duplicates Z: 12 21.416 2.040 1.033 0.516 0.909 0.727 CB 1.686 12 residues pruned to eliminate duplicates Z: 15 14.807 1.924 0.785 0.401 0.857 0.643 CB 1.492 15 residues pruned to eliminate duplicates Z: 14 12.760 1.971 0.697 0.406 0.846 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 22 17.635 1.906 0.791 0.511 0.905 0.714 CB 1.232 52 residues pruned to eliminate duplicates Z: 15 10.564 1.882 0.635 0.359 0.786 0.643 CB 1.360 Z: 6 3.739 1.429 0.421 0.351 0.800 0.600 N 1.210 6 residues pruned to eliminate duplicates Z: 27 20.466 2.033 0.851 0.401 0.808 0.538 CB 1.466 30 residues pruned to eliminate duplicates Z: 7 4.404 1.509 1.109 0.453 0.667 0.167 CA 0.889 7 residues pruned to eliminate duplicates Z: 30 15.472 1.876 0.790 0.328 0.793 0.586 CB 1.303 30 residues pruned to eliminate duplicates Z: 6 9.852 1.953 1.041 0.615 0.800 0.600 N 1.239 6 residues pruned to eliminate duplicates Z: 7 10.682 1.953 0.843 0.555 0.833 0.667 N 1.378 7 residues pruned to eliminate duplicates Z: 16 16.475 2.027 0.820 0.388 0.867 0.533 CB 1.499 16 residues pruned to eliminate duplicates Z: 6 3.581 1.937 0.398 0.245 0.600 0.400 CA 1.322 6 residues pruned to eliminate duplicates Z: 14 15.061 2.155 0.624 0.391 0.846 0.462 CB 1.585 14 residues pruned to eliminate duplicates Z: 10 10.419 2.178 0.529 0.325 0.889 0.333 CA 1.421 9 residues pruned to eliminate duplicates 713 residues left after pruning, divided into chains as follows: A: 6 B: 16 C: 8 D: 9 E: 8 F: 27 G: 18 H: 36 I: 23 J: 34 K: 98 L: 146 M: 152 N: 13 O: 63 P: 27 Q: 29 CC for partial structure against native data = 26.44 % ------------------------------------------------------------------------------ Global autotracing cycle 12 = 0.300, Contrast = 0.388, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.557, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6578 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1278 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 16.351 2.108 0.423 0.435 0.933 0.533 CB 1.614 B: 18 13.811 1.942 0.542 0.415 0.824 0.647 CB 1.485 14 residues pruned to eliminate duplicates C: 20 15.697 1.966 0.207 0.825 0.947 0.684 CB 1.210 D: 8 12.331 1.908 0.572 0.887 1.000 0.714 CB 1.120 E: 22 27.796 1.970 0.441 0.935 1.000 0.952 CB 1.489 F: 15 21.578 2.162 0.409 0.902 1.000 0.857 CB 1.351 20 residues pruned to eliminate duplicates G: 14 19.286 1.932 0.683 0.836 1.000 0.615 CA 1.231 H: 6 11.516 2.049 0.519 0.758 1.000 1.000 CA 1.316 I: 23 16.096 2.123 0.265 0.524 0.818 0.636 CB 1.525 J: 21 26.119 1.996 0.602 0.888 0.950 0.700 CA 1.384 K: 36 20.499 1.989 0.418 0.419 0.971 0.600 CA 1.376 23 residues pruned to eliminate duplicates L: 34 15.597 2.109 0.347 0.353 0.758 0.455 CB 1.479 6 residues pruned to eliminate duplicates M: 21 34.509 2.188 0.624 0.898 1.000 0.800 CB 1.554 N: 17 26.221 2.205 0.797 0.872 0.875 0.750 CB 1.378 17 residues pruned to eliminate duplicates O: 17 10.225 1.910 0.356 0.426 0.812 0.375 CB 1.312 17 residues pruned to eliminate duplicates P: 21 12.939 1.820 0.724 0.298 0.900 0.450 CB 1.284 Q: 20 28.725 2.024 0.520 0.910 1.000 0.789 CA 1.519 22 residues pruned to eliminate duplicates R: 6 8.037 2.141 0.426 0.452 0.800 0.600 CB 1.546 S: 37 28.081 2.128 0.743 0.476 0.889 0.444 CB 1.455 8 residues pruned to eliminate duplicates T: 21 45.881 2.278 0.910 0.951 1.000 0.700 CB 1.625 21 residues pruned to eliminate duplicates U: 16 6.471 1.844 0.483 0.186 0.733 0.400 CB 1.215 6 residues pruned to eliminate duplicates V: 22 40.433 2.195 0.927 0.939 0.952 0.714 CB 1.522 22 residues pruned to eliminate duplicates W: 36 22.312 2.016 0.489 0.446 0.914 0.457 CB 1.452 36 residues pruned to eliminate duplicates X: 21 22.122 2.046 0.719 0.649 0.900 0.500 CB 1.360 Y: 9 5.837 1.710 0.592 0.623 0.750 0.625 CB 0.900 9 residues pruned to eliminate duplicates Z: 22 32.056 2.134 0.547 0.886 1.000 0.810 CB 1.529 21 residues pruned to eliminate duplicates Z: 16 8.546 1.912 0.530 0.349 0.800 0.533 CB 1.110 Z: 22 31.611 1.959 0.662 0.922 1.000 0.857 CB 1.490 22 residues pruned to eliminate duplicates Z: 11 24.681 2.077 0.973 0.910 1.000 0.800 CB 1.351 12 residues pruned to eliminate duplicates Z: 35 22.282 2.061 0.518 0.472 0.882 0.676 CB 1.424 36 residues pruned to eliminate duplicates Z: 26 9.255 1.850 0.306 0.243 0.680 0.320 CB 1.517 Z: 32 27.802 2.208 0.760 0.485 0.871 0.516 CB 1.498 21 residues pruned to eliminate duplicates Z: 19 26.259 2.068 0.558 0.873 0.944 0.722 CA 1.481 20 residues pruned to eliminate duplicates Z: 41 29.815 2.060 0.733 0.485 0.900 0.600 CB 1.490 39 residues pruned to eliminate duplicates Z: 11 13.540 2.071 0.409 0.753 0.900 0.600 CB 1.301 3 residues pruned to eliminate duplicates Z: 34 29.214 2.041 0.538 0.655 0.970 0.818 CA 1.446 23 residues pruned to eliminate duplicates Z: 27 21.794 2.016 0.446 0.555 0.962 0.615 CB 1.446 27 residues pruned to eliminate duplicates Z: 22 34.833 2.009 0.760 0.920 1.000 0.762 CB 1.514 21 residues pruned to eliminate duplicates Z: 21 40.176 2.190 0.823 0.932 1.000 0.700 CB 1.571 21 residues pruned to eliminate duplicates Z: 10 10.021 1.810 0.443 0.761 0.889 0.556 CB 1.141 10 residues pruned to eliminate duplicates Z: 47 19.652 1.973 0.447 0.362 0.848 0.435 CB 1.388 Z: 21 30.287 1.945 0.745 0.928 1.000 0.950 CA 1.398 21 residues pruned to eliminate duplicates Z: 71 44.222 2.170 0.613 0.563 0.929 0.514 CB 1.529 62 residues pruned to eliminate duplicates Z: 11 10.291 2.003 0.870 0.391 0.800 0.600 CB 1.219 Z: 14 15.348 1.863 0.605 0.854 0.923 0.462 CA 1.139 14 residues pruned to eliminate duplicates Z: 28 24.875 2.173 0.608 0.448 0.926 0.630 CB 1.560 28 residues pruned to eliminate duplicates Z: 34 22.250 2.057 0.524 0.454 0.909 0.606 CB 1.425 34 residues pruned to eliminate duplicates Z: 9 11.254 1.956 0.341 0.583 1.000 0.625 CB 1.401 Z: 67 42.641 2.138 0.716 0.566 0.894 0.530 CA 1.502 70 residues pruned to eliminate duplicates Z: 18 18.564 2.060 0.261 0.897 0.941 0.824 CB 1.318 14 residues pruned to eliminate duplicates Z: 11 17.875 1.743 0.746 0.907 1.000 0.800 CA 1.320 11 residues pruned to eliminate duplicates Z: 22 28.837 1.962 0.458 0.894 1.000 0.810 CB 1.577 22 residues pruned to eliminate duplicates Z: 36 28.916 2.072 0.571 0.529 0.943 0.571 CA 1.547 36 residues pruned to eliminate duplicates Z: 22 31.928 2.024 0.621 0.870 1.000 0.810 CB 1.550 22 residues pruned to eliminate duplicates Z: 32 17.283 2.066 0.396 0.359 0.903 0.452 CB 1.387 33 residues pruned to eliminate duplicates Z: 30 18.892 1.983 0.399 0.456 0.931 0.552 CA 1.421 30 residues pruned to eliminate duplicates Z: 48 31.198 2.035 0.667 0.483 0.915 0.574 CA 1.492 41 residues pruned to eliminate duplicates Z: 10 12.968 1.752 0.520 0.850 0.889 0.778 CA 1.352 10 residues pruned to eliminate duplicates Z: 16 24.334 2.095 0.481 0.908 1.000 0.800 CB 1.438 16 residues pruned to eliminate duplicates Z: 21 24.929 1.992 0.425 0.867 1.000 0.800 CB 1.436 21 residues pruned to eliminate duplicates Z: 17 21.122 2.092 0.562 0.916 1.000 0.688 CB 1.141 18 residues pruned to eliminate duplicates Z: 34 21.685 2.059 0.477 0.474 0.970 0.576 CB 1.314 35 residues pruned to eliminate duplicates Z: 18 14.592 2.024 0.529 0.517 0.824 0.765 CB 1.365 18 residues pruned to eliminate duplicates Z: 12 6.425 1.634 0.714 0.261 0.818 0.455 CB 1.112 12 residues pruned to eliminate duplicates Z: 6 8.877 2.216 0.355 0.744 0.800 0.600 CB 1.329 Z: 15 10.032 1.990 0.253 0.347 0.857 0.429 CA 1.481 15 residues pruned to eliminate duplicates Z: 19 30.337 1.927 0.836 0.904 1.000 0.722 CA 1.440 19 residues pruned to eliminate duplicates Z: 34 17.104 2.044 0.377 0.450 0.848 0.636 CB 1.313 34 residues pruned to eliminate duplicates Z: 10 21.525 2.046 0.899 0.579 1.000 0.889 CB 1.711 20 residues pruned to eliminate duplicates Z: 10 12.400 1.897 0.519 0.752 0.889 0.333 CB 1.289 10 residues pruned to eliminate duplicates Z: 43 16.005 1.981 0.465 0.336 0.738 0.524 CB 1.380 30 residues pruned to eliminate duplicates Z: 21 26.401 1.991 0.783 0.934 1.000 0.850 CB 1.159 18 residues pruned to eliminate duplicates Z: 24 21.348 2.106 0.469 0.513 0.957 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 16 9.336 2.028 0.231 0.435 0.733 0.600 CB 1.409 16 residues pruned to eliminate duplicates Z: 10 14.685 1.801 0.643 0.818 1.000 0.667 CA 1.254 10 residues pruned to eliminate duplicates Z: 11 15.182 1.810 0.475 0.819 1.000 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 13 11.518 1.974 0.665 0.414 0.917 0.667 CB 1.207 Z: 22 38.322 2.138 0.739 0.924 1.000 0.905 CB 1.580 22 residues pruned to eliminate duplicates Z: 11 16.406 1.771 0.804 0.760 0.900 0.800 CA 1.432 11 residues pruned to eliminate duplicates Z: 22 18.785 1.987 0.647 0.500 0.905 0.524 CA 1.384 22 residues pruned to eliminate duplicates Z: 34 14.401 2.090 0.392 0.345 0.758 0.424 CB 1.346 27 residues pruned to eliminate duplicates Z: 22 39.967 2.186 0.825 0.920 1.000 0.905 CB 1.539 22 residues pruned to eliminate duplicates Z: 19 17.753 1.954 0.225 0.888 0.944 0.889 CA 1.333 19 residues pruned to eliminate duplicates Z: 24 12.558 1.941 0.479 0.437 0.783 0.478 CB 1.244 20 residues pruned to eliminate duplicates Z: 54 38.679 1.969 0.796 0.672 0.943 0.679 CB 1.358 34 residues pruned to eliminate duplicates Z: 16 16.950 2.041 0.485 0.479 0.933 0.733 CB 1.580 16 residues pruned to eliminate duplicates Z: 11 13.047 2.001 0.391 0.904 0.900 0.800 CB 1.173 11 residues pruned to eliminate duplicates Z: 10 11.782 1.804 0.524 0.872 0.889 0.556 CA 1.171 10 residues pruned to eliminate duplicates Z: 34 22.490 2.054 0.461 0.478 0.970 0.667 CB 1.376 34 residues pruned to eliminate duplicates Z: 22 47.223 2.199 1.018 0.939 1.000 0.667 CA 1.614 22 residues pruned to eliminate duplicates Z: 9 4.776 1.927 0.344 0.347 0.875 0.375 CB 0.880 9 residues pruned to eliminate duplicates Z: 14 11.075 1.985 0.641 0.424 0.846 0.462 CB 1.206 14 residues pruned to eliminate duplicates Z: 22 43.697 2.179 0.877 0.909 1.000 0.667 CB 1.655 22 residues pruned to eliminate duplicates Z: 23 17.348 2.099 0.364 0.538 0.864 0.682 CB 1.442 23 residues pruned to eliminate duplicates Z: 13 11.849 1.858 0.643 0.419 0.917 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 11 4.599 1.852 -0.006 0.417 0.600 0.400 N 1.435 11 residues pruned to eliminate duplicates Z: 16 29.437 2.129 0.669 0.923 1.000 0.800 CA 1.503 16 residues pruned to eliminate duplicates Z: 33 26.743 2.182 0.566 0.487 0.906 0.562 CB 1.546 33 residues pruned to eliminate duplicates Z: 9 14.820 2.056 0.390 0.907 1.000 1.000 CB 1.303 9 residues pruned to eliminate duplicates Z: 8 7.891 1.641 0.216 0.694 1.000 0.714 CB 1.252 Z: 18 18.981 2.068 0.273 0.857 0.941 0.765 CB 1.369 18 residues pruned to eliminate duplicates Z: 35 17.972 1.959 0.509 0.345 0.765 0.441 CB 1.614 34 residues pruned to eliminate duplicates Z: 20 12.380 1.972 0.380 0.495 0.895 0.579 CB 1.172 20 residues pruned to eliminate duplicates Z: 7 3.794 1.912 0.035 0.472 0.667 0.333 CB 1.208 Z: 13 16.092 1.909 0.334 0.883 1.000 0.667 CB 1.318 13 residues pruned to eliminate duplicates Z: 12 14.705 1.713 0.651 0.919 1.000 0.636 CB 1.105 12 residues pruned to eliminate duplicates Z: 65 36.952 2.007 0.705 0.512 0.891 0.500 CB 1.498 65 residues pruned to eliminate duplicates Z: 15 7.390 2.057 0.430 0.274 0.643 0.429 CB 1.350 15 residues pruned to eliminate duplicates Z: 23 15.826 1.993 0.829 0.299 0.864 0.500 CA 1.341 10 residues pruned to eliminate duplicates Z: 36 19.059 2.020 0.475 0.358 0.857 0.429 CB 1.469 36 residues pruned to eliminate duplicates Z: 15 9.703 1.912 0.438 0.257 0.857 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 74 38.037 2.055 0.531 0.587 0.918 0.658 CA 1.418 73 residues pruned to eliminate duplicates Z: 7 3.684 1.953 0.271 0.250 0.833 0.667 CB 0.969 7 residues pruned to eliminate duplicates Z: 21 24.458 2.024 0.310 0.908 1.000 0.800 CB 1.465 21 residues pruned to eliminate duplicates Z: 29 13.842 1.963 0.486 0.299 0.786 0.643 CB 1.429 17 residues pruned to eliminate duplicates Z: 33 26.872 2.168 0.623 0.480 0.875 0.531 CB 1.574 33 residues pruned to eliminate duplicates Z: 20 39.186 2.257 0.762 0.935 1.000 0.579 CB 1.575 20 residues pruned to eliminate duplicates Z: 19 19.317 1.836 0.776 0.635 0.889 0.667 CB 1.384 19 residues pruned to eliminate duplicates Z: 11 7.198 1.834 0.292 0.638 0.700 0.600 CA 1.206 11 residues pruned to eliminate duplicates Z: 34 12.143 1.841 0.300 0.354 0.879 0.697 CB 1.177 Z: 27 16.284 2.036 0.419 0.401 0.846 0.615 CB 1.450 27 residues pruned to eliminate duplicates Z: 20 32.153 2.072 0.731 0.926 1.000 0.684 CB 1.442 20 residues pruned to eliminate duplicates Z: 8 17.259 2.028 0.507 0.861 1.000 0.571 CA 1.568 8 residues pruned to eliminate duplicates Z: 10 10.148 1.906 0.079 0.868 0.889 0.667 CB 1.354 10 residues pruned to eliminate duplicates Z: 15 6.196 1.947 0.203 0.322 0.643 0.429 CB 1.338 15 residues pruned to eliminate duplicates Z: 13 6.103 1.831 -0.049 0.396 1.000 0.500 CB 1.130 13 residues pruned to eliminate duplicates Z: 26 17.161 1.959 0.344 0.482 0.960 0.720 CB 1.383 9 residues pruned to eliminate duplicates Z: 12 13.989 1.895 0.509 0.607 0.909 0.636 CB 1.466 11 residues pruned to eliminate duplicates Z: 10 12.420 1.852 0.344 0.853 0.889 0.778 CB 1.383 10 residues pruned to eliminate duplicates Z: 26 14.850 2.045 0.536 0.317 0.800 0.640 CB 1.447 16 residues pruned to eliminate duplicates Z: 16 16.365 2.007 0.538 0.477 0.933 0.733 CB 1.501 16 residues pruned to eliminate duplicates Z: 10 4.316 1.557 0.190 0.291 0.889 0.444 N 1.105 Z: 7 3.499 1.978 0.696 0.450 0.667 0.500 CB 0.672 7 residues pruned to eliminate duplicates Z: 20 13.838 2.012 0.757 0.325 0.842 0.526 CA 1.292 19 residues pruned to eliminate duplicates Z: 34 25.249 2.102 0.777 0.394 0.879 0.485 CB 1.498 34 residues pruned to eliminate duplicates Z: 11 12.743 2.093 0.058 0.917 1.000 1.000 CB 1.284 11 residues pruned to eliminate duplicates Z: 23 8.739 1.794 0.283 0.327 0.818 0.409 CB 1.197 23 residues pruned to eliminate duplicates Z: 16 20.112 2.003 0.466 0.885 1.000 0.667 CB 1.277 16 residues pruned to eliminate duplicates Z: 6 7.293 1.939 0.064 0.679 1.000 0.600 CB 1.341 6 residues pruned to eliminate duplicates Z: 45 32.993 2.066 0.453 0.708 0.977 0.682 CA 1.403 43 residues pruned to eliminate duplicates Z: 18 8.880 1.915 0.324 0.420 0.706 0.412 CB 1.307 18 residues pruned to eliminate duplicates Z: 22 32.667 1.947 0.703 0.888 1.000 0.857 CB 1.548 22 residues pruned to eliminate duplicates Z: 51 31.171 2.090 0.677 0.453 0.920 0.560 CB 1.436 56 residues pruned to eliminate duplicates Z: 11 13.542 1.961 0.547 0.580 0.900 0.600 CB 1.453 Z: 9 13.706 1.784 0.679 0.865 1.000 0.750 CA 1.185 12 residues pruned to eliminate duplicates Z: 11 11.942 1.788 0.549 0.504 0.900 0.600 CB 1.509 10 residues pruned to eliminate duplicates Z: 49 17.556 1.834 0.298 0.375 0.917 0.604 CB 1.326 34 residues pruned to eliminate duplicates Z: 13 20.122 2.092 0.743 0.545 0.917 0.417 CB 1.663 13 residues pruned to eliminate duplicates Z: 9 6.358 1.683 0.424 0.427 1.000 0.875 CA 1.011 Z: 38 24.285 2.069 0.650 0.515 0.838 0.459 CB 1.375 38 residues pruned to eliminate duplicates Z: 20 16.744 1.962 0.157 0.902 1.000 0.842 CB 1.207 20 residues pruned to eliminate duplicates Z: 30 28.628 2.050 0.543 0.605 1.000 0.793 CA 1.521 32 residues pruned to eliminate duplicates Z: 19 30.733 2.066 0.717 0.897 0.944 0.389 CA 1.547 19 residues pruned to eliminate duplicates Z: 36 22.809 2.093 0.449 0.533 0.857 0.543 CB 1.436 36 residues pruned to eliminate duplicates Z: 8 11.994 1.676 0.751 0.712 1.000 0.714 CA 1.274 Z: 11 9.092 1.665 0.473 0.637 0.800 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 17 8.934 1.782 0.291 0.438 0.938 0.562 CB 1.104 Z: 11 13.569 1.819 0.207 0.897 1.000 1.000 CB 1.399 11 residues pruned to eliminate duplicates Z: 21 39.427 2.184 0.788 0.931 1.000 0.550 CB 1.577 21 residues pruned to eliminate duplicates Z: 32 27.078 2.065 0.855 0.462 0.871 0.581 CB 1.516 32 residues pruned to eliminate duplicates Z: 16 12.536 2.029 0.633 0.406 0.800 0.467 CA 1.347 7 residues pruned to eliminate duplicates Z: 18 23.382 1.933 0.786 0.907 0.882 0.412 CA 1.324 18 residues pruned to eliminate duplicates 6 1.388 1.233 0.431 0.330 0.600 0.400 N 0.706 ? Z: 17 11.717 1.857 0.579 0.489 0.875 0.500 CB 1.154 Z: 21 18.756 1.930 0.666 0.515 0.900 0.700 CB 1.428 23 residues pruned to eliminate duplicates Z: 7 6.161 1.833 0.339 0.496 0.833 0.833 CB 1.234 7 residues pruned to eliminate duplicates Z: 18 11.156 1.896 0.399 0.532 0.824 0.588 CB 1.200 17 residues pruned to eliminate duplicates Z: 10 10.370 2.025 0.683 0.472 0.667 0.556 CB 1.566 10 residues pruned to eliminate duplicates Z: 31 16.144 1.723 0.558 0.427 0.900 0.533 CB 1.316 30 residues pruned to eliminate duplicates Z: 18 12.308 1.916 0.310 0.534 0.824 0.529 CA 1.396 22 residues pruned to eliminate duplicates Z: 26 13.882 1.957 0.424 0.445 0.800 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 13 8.558 1.749 0.590 0.391 0.917 0.583 CA 1.089 11 residues pruned to eliminate duplicates Z: 35 16.305 2.045 0.470 0.323 0.824 0.559 CB 1.373 34 residues pruned to eliminate duplicates Z: 8 6.650 1.666 0.051 0.697 1.000 0.857 C 1.199 8 residues pruned to eliminate duplicates Z: 10 14.601 1.937 0.560 0.814 0.889 0.444 CB 1.379 10 residues pruned to eliminate duplicates Z: 21 18.273 2.095 0.734 0.335 0.850 0.500 CA 1.585 21 residues pruned to eliminate duplicates Z: 19 16.365 1.795 0.515 0.551 0.944 0.778 CB 1.428 19 residues pruned to eliminate duplicates Z: 6 6.394 1.677 0.996 0.593 0.600 0.600 C 1.303 Z: 41 16.655 1.917 0.388 0.391 0.800 0.575 CB 1.388 54 residues pruned to eliminate duplicates Z: 14 9.912 1.850 0.437 0.396 0.846 0.615 CB 1.363 17 residues pruned to eliminate duplicates Z: 9 14.909 2.174 0.665 0.749 1.000 0.625 CB 1.165 9 residues pruned to eliminate duplicates Z: 8 5.595 1.914 0.548 0.504 0.857 0.857 CB 0.829 8 residues pruned to eliminate duplicates Z: 20 34.169 2.216 0.701 0.905 1.000 0.895 CB 1.480 20 residues pruned to eliminate duplicates Z: 21 10.376 1.710 0.390 0.347 0.900 0.500 CA 1.281 21 residues pruned to eliminate duplicates Z: 14 10.122 1.888 0.359 0.407 0.846 0.615 CA 1.426 13 residues pruned to eliminate duplicates Z: 36 32.088 2.032 0.764 0.640 0.914 0.657 CB 1.452 36 residues pruned to eliminate duplicates Z: 11 6.665 1.782 0.461 0.406 0.800 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 9 8.011 1.740 0.719 0.427 0.750 0.500 CB 1.362 9 residues pruned to eliminate duplicates Z: 21 29.337 1.987 0.810 0.881 1.000 0.650 CB 1.321 21 residues pruned to eliminate duplicates Z: 18 9.403 1.825 0.356 0.468 0.824 0.529 CB 1.156 18 residues pruned to eliminate duplicates Z: 13 19.515 2.002 0.736 0.813 0.917 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 55 39.674 2.118 0.561 0.655 0.963 0.704 CA 1.468 55 residues pruned to eliminate duplicates Z: 13 8.208 1.955 0.665 0.425 0.750 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 15 8.597 1.979 0.321 0.355 0.857 0.714 CB 1.198 16 residues pruned to eliminate duplicates Z: 20 13.524 1.998 0.321 0.509 0.842 0.684 CB 1.383 20 residues pruned to eliminate duplicates Z: 58 35.599 2.059 0.555 0.598 0.912 0.596 CA 1.471 58 residues pruned to eliminate duplicates Z: 6 6.477 1.913 0.574 0.530 1.000 0.800 CA 0.934 6 residues pruned to eliminate duplicates Z: 12 12.909 2.152 0.917 0.420 0.818 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 11 8.143 2.008 0.573 0.338 0.700 0.400 CB 1.390 11 residues pruned to eliminate duplicates Z: 34 27.652 2.162 0.578 0.493 0.939 0.576 CB 1.513 34 residues pruned to eliminate duplicates Z: 13 12.634 2.138 0.743 0.374 0.750 0.500 CB 1.493 15 residues pruned to eliminate duplicates Z: 26 14.204 1.843 0.374 0.411 0.920 0.520 CA 1.338 9 residues pruned to eliminate duplicates Z: 25 26.952 2.085 0.524 0.741 1.000 0.667 CA 1.395 25 residues pruned to eliminate duplicates Z: 7 3.011 1.893 0.315 0.243 0.667 0.500 CA 0.997 7 residues pruned to eliminate duplicates Z: 17 9.834 1.887 0.319 0.378 0.812 0.625 CB 1.385 17 residues pruned to eliminate duplicates Z: 13 7.149 1.825 0.457 0.315 0.667 0.417 C 1.429 13 residues pruned to eliminate duplicates Z: 27 17.630 2.054 0.561 0.368 0.885 0.385 CA 1.404 27 residues pruned to eliminate duplicates Z: 21 44.484 2.243 0.979 0.918 1.000 0.650 CB 1.581 21 residues pruned to eliminate duplicates Z: 27 14.392 2.065 0.382 0.312 0.885 0.538 CB 1.376 27 residues pruned to eliminate duplicates Z: 19 18.697 2.054 0.375 0.663 0.889 0.667 CB 1.510 19 residues pruned to eliminate duplicates Z: 20 14.056 2.011 0.265 0.487 0.947 0.579 CB 1.355 20 residues pruned to eliminate duplicates Z: 6 9.444 1.814 0.972 0.669 0.800 0.800 CA 1.262 Z: 17 10.697 1.886 0.539 0.438 0.812 0.438 CB 1.210 17 residues pruned to eliminate duplicates Z: 7 3.884 1.680 0.197 0.377 0.667 0.333 CA 1.348 5 residues pruned to eliminate duplicates Z: 7 9.666 1.700 0.800 0.589 0.833 0.500 CA 1.421 Z: 21 38.838 2.231 0.781 0.913 1.000 0.600 CB 1.546 21 residues pruned to eliminate duplicates Z: 22 37.511 2.125 0.841 0.928 1.000 0.905 CB 1.466 22 residues pruned to eliminate duplicates Z: 14 5.887 1.742 0.355 0.232 0.769 0.154 CA 1.228 14 residues pruned to eliminate duplicates Z: 8 12.237 1.908 0.154 0.837 1.000 1.000 CA 1.570 8 residues pruned to eliminate duplicates Z: 68 40.029 2.074 0.555 0.567 0.940 0.627 CA 1.511 72 residues pruned to eliminate duplicates Z: 30 23.390 1.996 0.710 0.579 0.897 0.690 CB 1.315 30 residues pruned to eliminate duplicates Z: 29 24.206 2.097 0.633 0.484 0.929 0.679 CA 1.462 29 residues pruned to eliminate duplicates Z: 22 16.300 1.950 0.817 0.347 0.857 0.476 CB 1.384 21 residues pruned to eliminate duplicates Z: 23 18.933 1.961 0.533 0.604 1.000 0.682 CB 1.216 46 residues pruned to eliminate duplicates Z: 23 17.240 2.048 0.421 0.537 0.864 0.682 CA 1.410 23 residues pruned to eliminate duplicates Z: 23 14.076 1.956 0.351 0.420 0.864 0.545 CA 1.430 23 residues pruned to eliminate duplicates Z: 31 15.517 1.794 0.415 0.464 0.867 0.533 CA 1.336 17 residues pruned to eliminate duplicates Z: 14 8.394 1.755 0.857 0.311 0.692 0.462 CA 1.272 Z: 16 21.577 2.060 0.470 0.917 0.933 0.733 CA 1.391 16 residues pruned to eliminate duplicates Z: 15 12.606 2.065 0.352 0.454 0.786 0.643 CA 1.609 15 residues pruned to eliminate duplicates Z: 19 8.127 1.746 0.063 0.338 0.889 0.389 CA 1.385 19 residues pruned to eliminate duplicates Z: 98 47.894 2.099 0.630 0.532 0.918 0.557 CB 1.502 96 residues pruned to eliminate duplicates Z: 11 12.665 1.963 0.324 0.853 0.900 0.800 CA 1.265 11 residues pruned to eliminate duplicates Z: 13 9.507 1.730 0.423 0.623 0.917 0.583 CB 1.083 Z: 7 4.711 1.418 1.047 0.601 0.667 0.500 C 0.903 7 residues pruned to eliminate duplicates Z: 11 13.752 1.833 0.401 0.857 0.900 0.600 CA 1.386 11 residues pruned to eliminate duplicates Z: 17 6.843 1.879 0.261 0.362 0.688 0.438 CB 1.218 17 residues pruned to eliminate duplicates Z: 35 17.519 2.031 0.311 0.399 0.882 0.559 CB 1.422 35 residues pruned to eliminate duplicates Z: 11 8.320 1.899 0.724 0.324 0.700 0.300 CA 1.394 12 residues pruned to eliminate duplicates Z: 9 6.044 1.476 0.555 0.487 0.875 0.625 CB 1.078 Z: 6 5.906 1.615 0.401 0.726 1.000 0.800 CB 0.952 6 residues pruned to eliminate duplicates Z: 13 15.204 2.009 0.240 0.826 1.000 0.583 CB 1.328 13 residues pruned to eliminate duplicates Z: 35 19.910 1.988 0.333 0.455 0.971 0.765 CA 1.390 35 residues pruned to eliminate duplicates Z: 15 12.114 1.974 0.390 0.440 0.929 0.500 CB 1.352 15 residues pruned to eliminate duplicates Z: 20 7.945 1.870 0.091 0.288 0.947 0.632 CA 1.197 20 residues pruned to eliminate duplicates Z: 16 12.350 1.780 0.542 0.457 0.867 0.667 CB 1.402 16 residues pruned to eliminate duplicates Z: 13 17.823 1.896 0.730 0.707 0.833 0.500 CB 1.559 13 residues pruned to eliminate duplicates Z: 7 5.387 1.684 0.732 0.528 0.667 0.500 N 1.100 Z: 10 17.502 1.852 0.566 0.885 1.000 1.000 CA 1.452 10 residues pruned to eliminate duplicates Z: 18 24.328 2.031 0.509 0.908 1.000 0.941 CA 1.367 18 residues pruned to eliminate duplicates Z: 6 4.062 1.594 0.464 0.465 0.800 0.400 CB 1.008 6 residues pruned to eliminate duplicates Z: 17 19.070 1.975 0.276 0.876 1.000 0.812 CA 1.375 17 residues pruned to eliminate duplicates Z: 13 12.566 1.970 0.477 0.475 0.917 0.750 CB 1.395 13 residues pruned to eliminate duplicates Z: 9 4.748 1.697 0.215 0.241 1.000 0.625 CA 1.099 Z: 23 10.877 2.014 0.282 0.343 0.773 0.364 CB 1.379 16 residues pruned to eliminate duplicates Z: 31 17.604 2.088 0.479 0.367 0.800 0.533 CB 1.500 31 residues pruned to eliminate duplicates Z: 47 39.540 2.157 0.692 0.670 0.913 0.739 CB 1.495 47 residues pruned to eliminate duplicates Z: 13 8.287 1.884 0.500 0.386 0.833 0.417 CB 1.146 13 residues pruned to eliminate duplicates Z: 7 13.243 1.883 0.757 0.727 0.833 0.500 N 1.597 7 residues pruned to eliminate duplicates Z: 13 17.369 2.114 0.490 0.582 0.917 0.750 CA 1.605 13 residues pruned to eliminate duplicates Z: 34 33.993 2.129 0.627 0.704 1.000 0.788 CA 1.420 34 residues pruned to eliminate duplicates Z: 34 18.527 2.079 0.441 0.360 0.848 0.545 CB 1.476 35 residues pruned to eliminate duplicates Z: 21 38.062 2.249 0.754 0.900 0.950 0.500 CB 1.623 21 residues pruned to eliminate duplicates Z: 11 24.183 2.248 0.777 0.916 1.000 0.400 CB 1.352 11 residues pruned to eliminate duplicates Z: 14 10.088 1.767 0.529 0.538 0.846 0.769 CA 1.179 14 residues pruned to eliminate duplicates Z: 10 12.357 1.735 0.460 0.854 0.889 0.556 CA 1.351 10 residues pruned to eliminate duplicates Z: 17 8.855 1.774 0.165 0.505 0.812 0.500 CB 1.312 14 residues pruned to eliminate duplicates Z: 13 12.510 1.996 0.164 0.834 0.917 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 48 26.175 2.021 0.550 0.497 0.915 0.660 CA 1.337 24 residues pruned to eliminate duplicates Z: 12 11.947 2.107 0.820 0.328 0.818 0.636 CA 1.386 12 residues pruned to eliminate duplicates Z: 9 8.268 1.882 0.432 0.529 0.875 0.750 CB 1.204 7 residues pruned to eliminate duplicates Z: 18 16.065 2.135 0.738 0.399 0.941 0.529 CB 1.241 18 residues pruned to eliminate duplicates Z: 29 12.426 1.907 0.427 0.332 0.786 0.464 CB 1.321 29 residues pruned to eliminate duplicates Z: 8 3.044 1.800 0.532 0.481 0.857 0.714 CB 0.496 Z: 44 19.873 1.906 0.510 0.393 0.907 0.535 CB 1.299 38 residues pruned to eliminate duplicates Z: 9 9.036 1.937 0.303 0.487 0.875 0.500 CB 1.465 9 residues pruned to eliminate duplicates Z: 15 9.895 1.744 0.322 0.534 0.857 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 7 3.812 1.677 0.193 0.439 1.000 0.667 CB 0.829 Z: 21 33.292 2.048 0.762 0.928 1.000 0.650 CB 1.445 21 residues pruned to eliminate duplicates Z: 24 16.094 1.938 0.472 0.438 0.913 0.652 CB 1.374 25 residues pruned to eliminate duplicates Z: 17 10.484 1.849 0.462 0.387 0.875 0.500 CB 1.250 17 residues pruned to eliminate duplicates Z: 10 2.925 1.605 0.215 0.247 0.778 0.333 CB 0.861 10 residues pruned to eliminate duplicates Z: 10 11.991 1.842 0.352 0.848 0.889 0.444 CA 1.339 10 residues pruned to eliminate duplicates Z: 21 28.084 1.975 0.737 0.922 0.950 0.800 CB 1.355 21 residues pruned to eliminate duplicates Z: 14 11.408 1.943 0.554 0.410 0.923 0.538 CB 1.248 15 residues pruned to eliminate duplicates Z: 35 15.503 1.881 0.264 0.442 0.882 0.618 CB 1.345 35 residues pruned to eliminate duplicates Z: 8 15.063 1.893 1.083 0.713 1.000 0.714 CA 1.190 8 residues pruned to eliminate duplicates Z: 31 14.131 1.790 0.348 0.458 0.867 0.567 CB 1.288 30 residues pruned to eliminate duplicates Z: 8 7.063 1.735 0.255 0.625 0.857 0.571 CB 1.271 7 residues pruned to eliminate duplicates Z: 65 36.723 2.101 0.590 0.480 0.875 0.562 CB 1.602 70 residues pruned to eliminate duplicates Z: 6 6.694 1.702 0.370 0.819 0.800 0.600 CA 1.217 6 residues pruned to eliminate duplicates Z: 20 8.920 1.734 0.406 0.361 0.737 0.421 CA 1.323 20 residues pruned to eliminate duplicates Z: 33 12.124 2.062 0.425 0.308 0.656 0.500 CB 1.376 28 residues pruned to eliminate duplicates Z: 16 9.702 1.876 0.515 0.424 0.867 0.667 CA 1.101 16 residues pruned to eliminate duplicates Z: 21 42.869 2.237 0.950 0.927 0.950 0.750 CB 1.620 21 residues pruned to eliminate duplicates Z: 22 18.208 2.000 0.781 0.292 0.952 0.571 CA 1.479 22 residues pruned to eliminate duplicates Z: 19 16.267 2.088 0.770 0.356 0.833 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 10 8.908 1.759 0.554 0.513 0.889 0.444 CB 1.206 10 residues pruned to eliminate duplicates Z: 53 44.249 2.112 0.866 0.685 0.962 0.654 CB 1.367 53 residues pruned to eliminate duplicates Z: 6 6.382 1.913 0.284 0.647 0.800 0.600 CB 1.266 Z: 34 23.208 2.033 0.666 0.499 0.848 0.515 CB 1.407 34 residues pruned to eliminate duplicates Z: 12 8.634 1.920 0.169 0.292 1.000 0.636 CB 1.466 12 residues pruned to eliminate duplicates Z: 12 8.592 1.830 0.451 0.346 0.909 0.455 CA 1.268 12 residues pruned to eliminate duplicates Z: 10 9.219 1.867 0.338 0.366 1.000 0.444 CA 1.420 4 residues pruned to eliminate duplicates Z: 9 6.253 1.907 0.177 0.405 0.750 0.375 CB 1.451 9 residues pruned to eliminate duplicates Z: 8 4.226 1.856 -0.114 0.342 0.857 0.571 CA 1.346 8 residues pruned to eliminate duplicates Z: 47 20.707 2.017 0.466 0.380 0.826 0.565 CB 1.421 57 residues pruned to eliminate duplicates Z: 8 4.873 1.660 0.693 0.426 0.857 0.571 CA 0.826 8 residues pruned to eliminate duplicates Z: 26 15.265 1.834 0.514 0.396 0.960 0.560 CA 1.278 25 residues pruned to eliminate duplicates Z: 17 24.413 2.091 0.700 0.865 0.938 0.750 CB 1.342 17 residues pruned to eliminate duplicates Z: 12 12.827 1.919 0.406 0.886 0.909 0.818 CA 1.138 12 residues pruned to eliminate duplicates Z: 12 14.030 1.989 0.633 0.490 0.909 0.545 CA 1.447 11 residues pruned to eliminate duplicates Z: 16 9.232 1.715 0.237 0.517 0.933 0.400 CB 1.184 16 residues pruned to eliminate duplicates Z: 14 16.064 1.926 0.658 0.479 1.000 0.692 CA 1.425 14 residues pruned to eliminate duplicates Z: 19 13.856 2.044 0.630 0.374 0.778 0.556 CA 1.441 19 residues pruned to eliminate duplicates Z: 19 22.152 1.931 0.866 0.877 0.889 0.389 CB 1.184 19 residues pruned to eliminate duplicates Z: 9 10.714 1.791 0.710 0.530 0.875 0.750 CB 1.373 9 residues pruned to eliminate duplicates Z: 24 17.132 1.990 0.344 0.529 0.957 0.565 CB 1.357 28 residues pruned to eliminate duplicates Z: 31 14.231 1.816 0.333 0.478 0.900 0.700 CB 1.220 31 residues pruned to eliminate duplicates Z: 12 21.171 2.119 1.015 0.872 1.000 0.636 CB 1.090 12 residues pruned to eliminate duplicates Z: 14 9.530 1.914 0.590 0.383 0.846 0.538 CB 1.162 14 residues pruned to eliminate duplicates Z: 10 8.721 1.859 0.398 0.613 0.889 0.556 CB 1.131 10 residues pruned to eliminate duplicates Z: 13 8.289 1.785 0.331 0.457 0.750 0.583 CA 1.404 13 residues pruned to eliminate duplicates Z: 22 13.690 1.898 0.363 0.413 0.857 0.619 CB 1.475 22 residues pruned to eliminate duplicates Z: 33 13.779 1.720 0.392 0.455 0.812 0.531 CB 1.311 33 residues pruned to eliminate duplicates Z: 33 18.564 1.905 0.482 0.420 0.875 0.562 CB 1.443 33 residues pruned to eliminate duplicates Z: 10 4.232 1.809 0.044 0.323 0.778 0.444 CA 1.166 10 residues pruned to eliminate duplicates Z: 18 11.817 1.943 0.397 0.388 0.824 0.588 CB 1.444 18 residues pruned to eliminate duplicates Z: 21 42.299 2.227 0.949 0.928 0.950 0.600 CB 1.605 21 residues pruned to eliminate duplicates Z: 30 15.144 1.932 0.262 0.428 0.931 0.655 CB 1.335 30 residues pruned to eliminate duplicates Z: 6 9.238 1.864 0.513 0.630 1.000 0.600 CA 1.296 6 residues pruned to eliminate duplicates Z: 8 6.802 1.586 0.610 0.408 1.000 0.571 CA 1.109 Z: 21 29.107 2.034 0.789 0.923 0.950 0.450 CB 1.323 21 residues pruned to eliminate duplicates Z: 16 21.914 2.055 0.625 0.916 0.933 0.800 CA 1.282 16 residues pruned to eliminate duplicates Z: 6 7.635 1.909 0.081 0.763 1.000 0.800 CB 1.310 6 residues pruned to eliminate duplicates Z: 14 7.990 1.794 0.337 0.344 0.769 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 20 42.732 2.283 0.819 0.938 1.000 1.000 CB 1.642 20 residues pruned to eliminate duplicates Z: 10 9.591 1.945 0.566 0.509 0.889 0.333 CB 1.171 10 residues pruned to eliminate duplicates Z: 8 4.494 1.593 0.134 0.427 0.857 0.571 CA 1.183 Z: 33 13.883 1.830 0.583 0.355 0.844 0.531 CB 1.174 33 residues pruned to eliminate duplicates Z: 6 5.699 1.656 0.740 0.680 0.800 0.600 CB 0.937 Z: 7 6.589 2.151 0.323 0.438 0.833 0.167 CB 1.209 5 residues pruned to eliminate duplicates Z: 21 34.758 2.181 0.805 0.891 1.000 0.850 CB 1.420 21 residues pruned to eliminate duplicates Z: 19 25.716 1.965 0.644 0.890 1.000 0.833 CA 1.350 19 residues pruned to eliminate duplicates Z: 24 9.717 1.849 0.500 0.305 0.783 0.522 CB 1.160 24 residues pruned to eliminate duplicates Z: 8 3.858 1.474 0.492 0.395 0.714 0.429 N 1.038 8 residues pruned to eliminate duplicates Z: 34 15.182 2.089 0.378 0.316 0.758 0.455 CB 1.484 34 residues pruned to eliminate duplicates Z: 10 8.698 1.994 0.510 0.360 0.778 0.333 CB 1.440 10 residues pruned to eliminate duplicates Z: 44 31.790 2.085 0.730 0.557 0.930 0.581 CB 1.367 44 residues pruned to eliminate duplicates Z: 31 17.772 1.791 0.489 0.482 0.900 0.667 CA 1.377 31 residues pruned to eliminate duplicates Z: 11 2.796 1.335 0.137 0.297 0.900 0.500 CB 0.813 Z: 12 17.163 2.048 0.944 0.564 1.000 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 35 13.313 1.823 0.255 0.403 0.912 0.647 CB 1.213 35 residues pruned to eliminate duplicates Z: 23 12.371 1.764 0.473 0.397 0.864 0.500 CA 1.311 23 residues pruned to eliminate duplicates Z: 9 9.087 1.800 0.451 0.451 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 13 9.838 1.843 0.350 0.592 1.000 0.667 CB 1.045 13 residues pruned to eliminate duplicates Z: 7 2.370 1.580 -0.062 0.324 0.667 0.167 CB 1.187 Z: 9 12.189 1.860 0.208 0.899 1.000 1.000 CA 1.372 9 residues pruned to eliminate duplicates Z: 9 6.947 1.546 0.555 0.575 0.750 0.375 CB 1.268 9 residues pruned to eliminate duplicates Z: 19 13.771 1.899 0.471 0.457 0.833 0.556 CB 1.457 19 residues pruned to eliminate duplicates Z: 6 7.136 1.782 0.787 0.580 0.800 0.800 CA 1.159 6 residues pruned to eliminate duplicates Z: 7 2.414 1.388 0.412 0.368 0.667 0.500 CA 0.869 Z: 11 7.652 1.756 0.377 0.416 0.900 0.800 CB 1.214 11 residues pruned to eliminate duplicates Z: 9 9.125 2.207 0.031 0.831 0.875 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 14 5.392 1.614 0.577 0.383 0.769 0.615 CB 0.865 Z: 7 3.927 1.842 0.637 0.337 0.667 0.333 CB 0.953 7 residues pruned to eliminate duplicates Z: 12 19.301 1.723 0.727 0.900 1.000 0.545 CA 1.398 12 residues pruned to eliminate duplicates Z: 29 13.784 1.979 0.526 0.290 0.786 0.500 CB 1.390 29 residues pruned to eliminate duplicates Z: 8 8.539 1.944 0.459 0.610 0.857 0.571 CB 1.196 8 residues pruned to eliminate duplicates Z: 27 15.931 1.981 0.537 0.443 0.846 0.577 CB 1.286 25 residues pruned to eliminate duplicates Z: 35 13.656 1.892 0.505 0.337 0.765 0.500 CB 1.284 35 residues pruned to eliminate duplicates Z: 38 26.226 2.133 0.630 0.466 0.946 0.432 CB 1.357 38 residues pruned to eliminate duplicates Z: 12 9.079 2.016 0.285 0.379 0.818 0.545 CA 1.469 12 residues pruned to eliminate duplicates Z: 9 4.703 1.669 0.004 0.315 0.875 0.500 N 1.393 8 residues pruned to eliminate duplicates Z: 19 14.197 1.950 0.338 0.427 0.944 0.556 CB 1.464 19 residues pruned to eliminate duplicates 7 1.521 1.535 -0.415 0.446 0.667 0.667 CB 1.095 ? Z: 13 23.704 1.949 0.882 0.881 0.917 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 19 15.691 2.071 0.376 0.432 0.833 0.611 CA 1.670 19 residues pruned to eliminate duplicates Z: 21 14.295 1.895 0.554 0.466 0.800 0.600 CB 1.404 21 residues pruned to eliminate duplicates Z: 21 18.512 1.912 0.177 0.875 1.000 0.850 CB 1.338 21 residues pruned to eliminate duplicates Z: 17 11.865 1.937 0.544 0.341 0.812 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 21 33.974 2.039 0.737 0.937 1.000 0.750 CB 1.493 21 residues pruned to eliminate duplicates Z: 15 10.921 1.789 0.385 0.522 0.857 0.714 CA 1.344 15 residues pruned to eliminate duplicates Z: 10 9.638 2.040 0.512 0.438 0.778 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 53 36.906 1.982 0.747 0.645 0.942 0.615 CB 1.370 53 residues pruned to eliminate duplicates Z: 38 27.431 2.001 0.797 0.479 0.946 0.486 CB 1.354 38 residues pruned to eliminate duplicates 6 1.436 1.519 0.097 0.422 0.400 0.400 CB 1.044 ? Z: 8 4.403 1.421 0.420 0.484 0.714 0.571 CA 1.174 Z: 16 9.324 2.005 0.177 0.356 0.933 0.533 CA 1.278 16 residues pruned to eliminate duplicates Z: 13 7.264 1.686 0.620 0.403 0.750 0.417 CA 1.134 11 residues pruned to eliminate duplicates Z: 9 5.190 1.557 0.100 0.544 0.875 0.625 N 1.173 Z: 14 6.058 1.603 0.330 0.251 0.846 0.231 CA 1.240 14 residues pruned to eliminate duplicates 11 1.723 1.391 0.395 0.214 0.600 0.200 CB 0.656 ? Z: 9 18.552 2.079 0.847 0.762 1.000 0.750 CB 1.354 10 residues pruned to eliminate duplicates Z: 24 17.335 1.840 0.579 0.450 0.913 0.696 CB 1.434 24 residues pruned to eliminate duplicates Z: 9 3.408 1.547 0.279 0.325 0.625 0.500 CB 1.181 Z: 24 19.239 1.940 0.519 0.663 0.913 0.652 CB 1.283 24 residues pruned to eliminate duplicates Z: 15 14.403 2.110 0.671 0.431 0.857 0.429 CB 1.368 15 residues pruned to eliminate duplicates Z: 12 12.200 1.816 0.793 0.493 0.909 0.636 CB 1.251 12 residues pruned to eliminate duplicates Z: 41 18.019 1.990 0.446 0.341 0.850 0.600 CB 1.385 41 residues pruned to eliminate duplicates Z: 40 15.394 1.934 0.429 0.350 0.795 0.513 CB 1.320 40 residues pruned to eliminate duplicates Z: 25 11.250 1.802 0.256 0.413 0.917 0.667 CB 1.212 25 residues pruned to eliminate duplicates Z: 9 17.110 2.225 1.087 0.413 0.875 0.375 CA 1.631 9 residues pruned to eliminate duplicates Z: 8 4.008 1.712 0.571 0.323 0.714 0.429 CA 0.957 8 residues pruned to eliminate duplicates Z: 19 26.961 2.081 0.712 0.885 0.833 0.611 CA 1.545 19 residues pruned to eliminate duplicates Z: 6 4.999 1.782 -0.252 0.609 1.000 0.600 O 1.513 Z: 11 8.873 1.728 0.489 0.721 0.700 0.500 CB 1.276 11 residues pruned to eliminate duplicates Z: 6 2.857 1.477 -0.085 0.522 1.000 0.400 CB 0.924 Z: 11 4.882 1.654 0.318 0.398 0.800 0.400 CB 0.987 Z: 15 6.772 1.687 0.645 0.353 0.714 0.643 N 1.070 15 residues pruned to eliminate duplicates Z: 8 5.102 1.836 0.571 0.436 0.571 0.286 N 1.249 Z: 7 5.107 1.716 0.149 0.625 0.833 0.500 CB 1.128 7 residues pruned to eliminate duplicates Z: 6 5.623 1.582 0.245 0.733 0.800 0.800 CB 1.294 Z: 7 3.814 1.856 -0.112 0.478 0.833 0.500 N 1.159 7 residues pruned to eliminate duplicates Z: 9 3.742 1.620 -0.097 0.285 0.875 0.500 CB 1.317 9 residues pruned to eliminate duplicates Z: 36 22.541 2.035 0.464 0.442 0.943 0.543 CB 1.440 36 residues pruned to eliminate duplicates Z: 24 13.639 1.942 0.430 0.404 0.913 0.565 CB 1.241 24 residues pruned to eliminate duplicates Z: 30 13.602 1.791 0.472 0.355 0.828 0.379 CB 1.354 30 residues pruned to eliminate duplicates Z: 9 13.526 1.869 0.554 0.855 1.000 0.500 CA 1.215 9 residues pruned to eliminate duplicates Z: 27 27.972 2.101 0.416 0.696 1.000 0.731 CA 1.541 27 residues pruned to eliminate duplicates Z: 6 8.888 1.785 0.458 0.810 1.000 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 6 3.180 1.279 0.798 0.642 0.800 0.600 CA 0.676 Z: 41 26.856 2.062 0.485 0.470 0.950 0.575 CA 1.505 41 residues pruned to eliminate duplicates Z: 80 38.068 2.064 0.556 0.500 0.873 0.608 CB 1.527 80 residues pruned to eliminate duplicates Z: 10 3.988 1.551 0.627 0.277 0.778 0.444 CA 0.872 9 residues pruned to eliminate duplicates Z: 10 6.536 1.894 0.438 0.316 0.667 0.444 CB 1.471 10 residues pruned to eliminate duplicates Z: 84 48.617 2.153 0.681 0.578 0.892 0.590 CA 1.534 84 residues pruned to eliminate duplicates Z: 19 9.335 1.852 0.532 0.320 0.778 0.556 CB 1.215 19 residues pruned to eliminate duplicates Z: 19 20.500 1.953 0.549 0.915 1.000 0.722 CB 1.129 19 residues pruned to eliminate duplicates Z: 7 8.628 1.938 0.829 0.500 0.833 0.833 CB 1.192 Z: 83 50.583 2.163 0.635 0.597 0.939 0.622 CB 1.534 84 residues pruned to eliminate duplicates Z: 21 35.697 2.044 0.859 0.941 1.000 0.550 CB 1.459 21 residues pruned to eliminate duplicates Z: 10 12.216 1.734 0.663 0.836 1.000 0.556 CA 1.056 10 residues pruned to eliminate duplicates Z: 10 7.133 1.998 0.325 0.493 0.778 0.556 CB 1.163 10 residues pruned to eliminate duplicates 6 1.937 1.534 -0.097 0.300 1.000 0.400 CB 0.782 ? Z: 8 8.200 1.853 0.350 0.792 0.857 0.857 CB 1.119 8 residues pruned to eliminate duplicates Z: 28 12.730 1.843 0.239 0.473 0.852 0.556 CB 1.295 28 residues pruned to eliminate duplicates Z: 7 7.841 1.983 0.669 0.526 0.833 0.500 CB 1.131 7 residues pruned to eliminate duplicates Z: 8 3.062 1.664 0.202 0.577 0.714 0.429 CB 0.752 Z: 11 7.771 1.998 0.248 0.330 1.000 0.600 CA 1.188 11 residues pruned to eliminate duplicates Z: 21 41.205 2.216 0.949 0.934 1.000 0.950 CB 1.487 21 residues pruned to eliminate duplicates Z: 6 3.752 1.459 0.328 0.391 1.000 0.400 CB 0.971 Z: 19 17.140 1.910 0.452 0.468 0.944 0.556 CB 1.594 19 residues pruned to eliminate duplicates Z: 21 17.014 1.926 0.375 0.644 0.950 0.700 CB 1.322 21 residues pruned to eliminate duplicates Z: 36 30.290 2.012 0.922 0.546 0.914 0.657 CB 1.384 36 residues pruned to eliminate duplicates Z: 6 6.560 1.696 0.329 0.578 1.000 0.600 N 1.207 6 residues pruned to eliminate duplicates Z: 11 5.725 1.528 0.061 0.505 0.900 0.500 CA 1.235 11 residues pruned to eliminate duplicates Z: 14 15.000 1.963 0.813 0.460 0.846 0.692 CA 1.440 12 residues pruned to eliminate duplicates Z: 7 7.070 1.896 0.465 0.284 1.000 0.667 CA 1.325 7 residues pruned to eliminate duplicates Z: 6 3.531 1.645 0.095 0.613 0.800 0.800 CB 0.985 Z: 17 13.665 1.913 0.501 0.504 0.938 0.625 CA 1.264 17 residues pruned to eliminate duplicates Z: 6 4.829 1.463 0.603 0.756 0.800 0.600 CB 0.917 Z: 6 6.109 1.588 0.819 0.787 0.800 0.800 CA 0.919 Z: 16 12.527 2.151 0.490 0.344 0.800 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 37 19.377 1.984 0.325 0.438 0.889 0.611 CA 1.473 37 residues pruned to eliminate duplicates Z: 6 4.586 1.954 0.058 0.430 0.800 0.400 CA 1.334 6 residues pruned to eliminate duplicates Z: 13 3.823 1.373 0.740 0.280 0.667 0.333 N 0.889 Z: 10 12.065 1.824 0.597 0.434 1.000 0.667 CA 1.479 10 residues pruned to eliminate duplicates Z: 17 18.720 1.961 0.440 0.910 1.000 1.000 CA 1.175 17 residues pruned to eliminate duplicates Z: 17 12.083 1.929 0.436 0.523 0.875 0.625 CA 1.218 15 residues pruned to eliminate duplicates Z: 64 42.487 2.021 0.817 0.563 0.921 0.667 CB 1.490 37 residues pruned to eliminate duplicates Z: 7 4.355 1.359 0.436 0.439 1.000 0.667 N 0.971 Z: 14 10.532 1.819 0.425 0.398 0.846 0.538 CB 1.483 14 residues pruned to eliminate duplicates Z: 10 15.626 1.802 0.550 0.881 1.000 0.778 CA 1.350 10 residues pruned to eliminate duplicates 6 1.893 1.355 0.270 0.437 0.600 0.400 N 0.875 ? Z: 13 12.539 1.944 0.697 0.455 1.000 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 15 14.439 2.044 0.395 0.562 0.929 0.429 CB 1.373 15 residues pruned to eliminate duplicates Z: 17 12.215 1.879 0.545 0.550 0.875 0.500 CB 1.145 18 residues pruned to eliminate duplicates Z: 14 5.376 1.842 0.466 0.360 0.538 0.385 CB 1.193 14 residues pruned to eliminate duplicates Z: 7 2.246 1.128 0.335 0.336 0.833 0.667 CB 0.874 Z: 24 12.529 1.865 0.439 0.447 0.870 0.739 CB 1.182 24 residues pruned to eliminate duplicates Z: 6 6.576 1.394 0.843 0.828 1.000 1.000 CA 0.862 6 residues pruned to eliminate duplicates Z: 10 7.134 1.623 0.811 0.829 0.778 0.667 CA 0.783 17 residues pruned to eliminate duplicates Z: 8 4.876 1.564 0.403 0.527 0.857 0.857 CA 0.954 8 residues pruned to eliminate duplicates 7 1.868 1.211 0.401 0.236 0.833 0.500 CB 0.733 ? Z: 10 14.386 2.008 0.424 0.906 1.000 1.000 CA 1.193 10 residues pruned to eliminate duplicates Z: 7 2.793 1.308 0.643 0.245 0.667 0.500 CA 1.068 Z: 19 7.483 1.670 0.288 0.385 0.778 0.444 CB 1.191 19 residues pruned to eliminate duplicates Z: 7 3.559 1.379 0.279 0.249 1.000 0.500 N 1.100 Z: 15 16.127 1.861 0.719 0.861 0.857 0.357 CB 1.155 15 residues pruned to eliminate duplicates Z: 9 2.046 1.279 0.435 0.441 0.750 0.375 CB 0.559 Z: 10 10.328 1.598 0.446 0.836 1.000 0.667 CA 1.115 10 residues pruned to eliminate duplicates Z: 6 6.561 1.761 0.318 0.467 1.000 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 36 30.748 2.046 0.501 0.631 0.971 0.771 CB 1.540 28 residues pruned to eliminate duplicates Z: 21 11.326 1.962 0.177 0.387 0.950 0.600 CA 1.302 21 residues pruned to eliminate duplicates Z: 47 34.469 1.977 0.693 0.583 0.957 0.783 CA 1.466 47 residues pruned to eliminate duplicates Z: 26 11.711 1.805 0.523 0.289 0.840 0.560 CB 1.285 26 residues pruned to eliminate duplicates Z: 27 19.713 2.093 0.803 0.416 0.885 0.654 CA 1.265 27 residues pruned to eliminate duplicates Z: 44 34.082 2.034 0.528 0.636 0.977 0.767 CA 1.507 44 residues pruned to eliminate duplicates Z: 8 3.772 1.618 -0.236 0.626 1.000 0.571 CB 1.025 8 residues pruned to eliminate duplicates Z: 8 4.536 1.589 0.262 0.625 0.857 0.429 CA 0.886 8 residues pruned to eliminate duplicates Z: 9 4.083 1.671 0.461 0.648 0.750 0.625 CA 0.687 9 residues pruned to eliminate duplicates Z: 9 9.426 1.806 0.666 0.541 0.875 0.750 CB 1.215 7 residues pruned to eliminate duplicates Z: 7 4.702 1.721 0.116 0.276 0.833 0.333 N 1.546 Z: 11 16.214 1.722 0.958 0.894 1.000 0.500 CB 1.091 Z: 16 23.192 2.253 0.742 0.868 0.800 0.533 CB 1.394 16 residues pruned to eliminate duplicates Z: 9 3.465 1.686 0.230 0.308 0.875 0.500 CB 0.835 Z: 17 10.773 1.979 0.450 0.429 0.812 0.562 CA 1.243 17 residues pruned to eliminate duplicates Z: 10 8.173 1.643 0.243 0.811 1.000 0.778 CB 1.017 10 residues pruned to eliminate duplicates Z: 8 5.384 1.638 0.753 0.287 0.714 0.429 N 1.260 8 residues pruned to eliminate duplicates Z: 25 12.533 1.926 0.252 0.375 0.917 0.542 CA 1.323 25 residues pruned to eliminate duplicates Z: 7 4.794 1.529 -0.099 0.711 1.000 0.500 CA 1.173 Z: 15 11.169 1.765 0.543 0.497 0.929 0.643 CB 1.184 15 residues pruned to eliminate duplicates Z: 10 7.817 1.820 0.443 0.466 0.778 0.444 CA 1.322 10 residues pruned to eliminate duplicates Z: 19 20.983 2.161 0.359 0.572 0.944 0.556 CA 1.664 19 residues pruned to eliminate duplicates Z: 18 34.845 2.027 0.916 0.914 1.000 0.471 CB 1.538 18 residues pruned to eliminate duplicates Z: 12 7.719 1.636 0.509 0.387 0.909 0.455 CB 1.169 Z: 10 9.770 1.998 0.308 0.538 1.000 0.667 CA 1.200 10 residues pruned to eliminate duplicates Z: 6 4.022 2.207 0.089 0.489 0.600 0.400 CB 1.262 6 residues pruned to eliminate duplicates Z: 43 29.805 2.127 0.617 0.541 0.905 0.500 CB 1.420 42 residues pruned to eliminate duplicates Z: 43 22.773 1.932 0.418 0.602 0.881 0.690 CA 1.321 47 residues pruned to eliminate duplicates Z: 7 4.787 1.669 0.064 0.389 1.000 0.500 CB 1.238 Z: 9 9.761 1.722 0.418 0.881 1.000 1.000 CA 1.024 9 residues pruned to eliminate duplicates Z: 10 4.107 1.705 0.308 0.346 0.667 0.444 CB 1.088 10 residues pruned to eliminate duplicates Z: 22 17.904 1.740 0.861 0.468 0.857 0.619 CB 1.454 22 residues pruned to eliminate duplicates Z: 6 3.576 1.614 0.217 0.524 0.800 0.800 CB 0.994 6 residues pruned to eliminate duplicates Z: 27 15.472 1.820 0.374 0.516 0.962 0.654 CA 1.242 30 residues pruned to eliminate duplicates 6 1.066 1.267 -0.034 0.298 0.600 0.400 O 0.814 ? Z: 21 25.282 2.104 0.345 0.711 1.000 0.700 CB 1.650 21 residues pruned to eliminate duplicates Z: 7 2.504 1.312 0.999 0.245 0.667 0.333 CA 0.784 Z: 9 3.705 1.491 0.419 0.329 0.750 0.500 CB 0.996 7 residues pruned to eliminate duplicates 6 1.812 1.349 0.373 0.100 0.800 0.200 CB 0.911 ? Z: 12 6.839 1.701 0.507 0.439 0.909 0.636 CA 0.942 12 residues pruned to eliminate duplicates 8 1.803 1.513 -0.078 0.218 0.714 0.429 N 0.953 ? Z: 25 26.500 2.088 0.914 0.639 0.958 0.750 CA 1.239 25 residues pruned to eliminate duplicates Z: 19 27.518 1.992 0.808 0.801 0.944 0.778 CB 1.466 19 residues pruned to eliminate duplicates Z: 6 4.140 1.752 -0.058 0.603 1.000 0.600 CA 1.018 6 residues pruned to eliminate duplicates Z: 17 13.448 1.720 0.447 0.536 1.000 0.688 CA 1.304 17 residues pruned to eliminate duplicates Z: 8 4.870 1.571 0.166 0.557 0.857 0.714 CB 1.109 9 residues pruned to eliminate duplicates Z: 11 3.283 1.420 0.113 0.457 0.800 0.600 CB 0.858 Z: 10 11.729 1.881 0.541 0.507 0.889 0.778 CA 1.506 10 residues pruned to eliminate duplicates Z: 14 6.584 1.754 0.236 0.470 0.769 0.615 CB 1.129 14 residues pruned to eliminate duplicates Z: 24 12.632 1.939 0.490 0.440 0.783 0.609 CA 1.239 24 residues pruned to eliminate duplicates Z: 28 13.354 1.906 0.355 0.411 0.889 0.481 CB 1.228 28 residues pruned to eliminate duplicates Z: 6 3.532 1.590 0.453 0.416 0.800 0.400 CB 0.932 Z: 10 6.626 1.554 0.606 0.729 0.778 0.333 CA 0.926 10 residues pruned to eliminate duplicates Z: 7 4.377 1.494 0.434 0.416 0.833 0.500 CB 1.092 Z: 14 10.517 1.931 0.380 0.472 0.846 0.692 CB 1.332 21 residues pruned to eliminate duplicates Z: 29 24.319 2.032 0.631 0.475 0.929 0.500 CA 1.530 30 residues pruned to eliminate duplicates Z: 9 4.928 1.842 0.094 0.432 0.750 0.625 CB 1.236 9 residues pruned to eliminate duplicates Z: 6 5.548 1.548 0.569 0.573 0.800 0.600 O 1.191 6 residues pruned to eliminate duplicates Z: 8 5.680 1.699 0.295 0.579 1.000 0.571 CA 0.905 8 residues pruned to eliminate duplicates Z: 9 4.699 1.637 0.744 0.418 0.625 0.375 CB 1.014 9 residues pruned to eliminate duplicates Z: 14 11.949 1.994 0.769 0.531 0.692 0.538 CB 1.317 14 residues pruned to eliminate duplicates Z: 11 8.385 1.812 0.261 0.330 1.000 0.800 CA 1.398 11 residues pruned to eliminate duplicates Z: 15 13.134 1.995 0.504 0.419 0.929 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 9 10.486 1.960 0.526 0.515 0.875 0.625 CB 1.396 9 residues pruned to eliminate duplicates Z: 7 5.953 1.506 0.209 0.611 1.000 0.500 CA 1.201 7 residues pruned to eliminate duplicates Z: 6 6.839 1.674 1.182 0.605 0.800 0.600 CB 0.948 7 residues pruned to eliminate duplicates Z: 7 4.337 1.325 0.550 0.465 0.833 0.667 O 1.071 Z: 7 3.917 1.598 0.927 0.248 0.667 0.333 CA 1.041 Z: 20 14.629 1.826 0.509 0.487 0.895 0.579 CB 1.378 Z: 8 9.508 1.808 0.728 0.559 0.857 0.714 CB 1.267 8 residues pruned to eliminate duplicates 8 1.921 1.498 0.367 0.446 0.714 0.429 CB 0.525 ? Z: 8 4.696 1.697 0.300 0.592 0.857 0.857 CB 0.859 8 residues pruned to eliminate duplicates Z: 9 2.114 1.495 0.313 0.185 0.875 0.625 CB 0.635 Z: 6 2.834 1.555 0.291 0.299 0.800 0.600 CB 0.988 Z: 6 4.273 1.098 0.757 0.821 1.000 0.800 CA 0.750 Z: 30 13.482 1.751 0.391 0.387 0.862 0.621 CB 1.343 30 residues pruned to eliminate duplicates Z: 8 5.113 1.642 0.412 0.466 0.714 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 6 6.831 1.551 0.663 0.665 1.000 0.400 CB 1.017 Z: 24 9.374 1.850 0.442 0.292 0.826 0.522 CB 1.121 24 residues pruned to eliminate duplicates Z: 11 9.649 1.800 0.626 0.605 0.800 0.600 CB 1.179 11 residues pruned to eliminate duplicates Z: 13 6.134 1.706 0.442 0.348 0.667 0.667 CB 1.273 13 residues pruned to eliminate duplicates Z: 8 11.206 2.000 0.790 0.596 0.857 0.714 CB 1.259 8 residues pruned to eliminate duplicates Z: 9 2.342 1.291 0.569 0.064 0.750 0.250 CB 0.967 Z: 18 11.379 2.061 0.434 0.283 0.882 0.412 CB 1.353 18 residues pruned to eliminate duplicates Z: 13 8.569 1.915 0.422 0.509 0.833 0.833 CA 1.080 13 residues pruned to eliminate duplicates Z: 6 2.441 1.267 0.429 0.366 1.000 0.400 N 0.696 Z: 9 3.316 1.537 0.230 0.329 0.875 0.625 CB 0.855 Z: 27 9.157 1.758 0.378 0.277 0.808 0.538 CB 1.181 27 residues pruned to eliminate duplicates Z: 52 43.540 2.130 0.804 0.641 0.961 0.588 CB 1.447 52 residues pruned to eliminate duplicates Z: 10 13.335 1.799 0.787 0.814 0.889 0.556 CA 1.184 10 residues pruned to eliminate duplicates 7 1.802 1.392 0.281 0.371 0.667 0.500 N 0.710 ? Z: 6 4.773 1.973 0.015 0.612 0.800 0.600 CA 1.199 6 residues pruned to eliminate duplicates Z: 7 5.943 1.571 0.656 0.332 0.833 0.500 C 1.346 Z: 6 3.803 1.445 0.228 0.370 1.000 0.400 CB 1.102 Z: 27 14.789 1.943 0.308 0.481 0.923 0.731 CB 1.260 27 residues pruned to eliminate duplicates Z: 11 5.056 1.487 0.283 0.464 0.800 0.400 CB 1.086 11 residues pruned to eliminate duplicates Z: 10 10.808 1.896 0.256 0.866 0.778 0.778 CA 1.424 10 residues pruned to eliminate duplicates Z: 18 22.443 2.028 0.732 0.907 0.941 0.412 CB 1.171 18 residues pruned to eliminate duplicates Z: 8 6.967 1.702 0.406 0.425 1.000 0.857 CB 1.189 10 residues pruned to eliminate duplicates Z: 8 5.868 1.697 0.087 0.617 1.000 0.714 CA 1.076 8 residues pruned to eliminate duplicates Z: 8 10.014 1.873 0.721 0.390 1.000 0.571 CA 1.319 8 residues pruned to eliminate duplicates Z: 38 13.210 1.819 0.470 0.321 0.730 0.405 CA 1.356 38 residues pruned to eliminate duplicates Z: 27 21.336 1.947 0.786 0.494 0.846 0.538 CA 1.431 27 residues pruned to eliminate duplicates Z: 11 12.913 1.672 0.664 0.741 0.900 0.800 CB 1.314 25 residues pruned to eliminate duplicates Z: 8 4.858 1.561 0.396 0.658 0.857 0.714 CB 0.849 Z: 11 14.286 1.875 0.582 0.535 1.000 0.800 CB 1.471 Z: 9 3.230 1.678 0.191 0.186 0.875 0.375 CB 0.952 9 residues pruned to eliminate duplicates Z: 7 5.716 1.428 0.892 0.532 0.833 0.667 O 1.004 7 residues pruned to eliminate duplicates Z: 15 8.435 1.715 0.424 0.361 0.786 0.429 CB 1.365 15 residues pruned to eliminate duplicates Z: 6 5.808 1.483 1.101 0.441 0.800 0.400 CA 1.107 Z: 32 14.531 1.826 0.253 0.424 0.935 0.613 CB 1.321 33 residues pruned to eliminate duplicates Z: 20 28.253 2.005 0.694 0.845 1.000 0.895 CA 1.419 20 residues pruned to eliminate duplicates Z: 18 7.035 1.755 0.445 0.300 0.647 0.412 CA 1.299 18 residues pruned to eliminate duplicates Z: 16 4.590 1.450 0.508 0.288 0.867 0.600 CB 0.794 9 residues pruned to eliminate duplicates Z: 8 2.700 1.452 -0.125 0.348 0.857 0.714 CB 1.105 8 residues pruned to eliminate duplicates Z: 9 5.535 1.692 0.041 0.486 1.000 0.750 CA 1.127 9 residues pruned to eliminate duplicates Z: 9 5.797 1.722 0.328 0.462 1.000 0.625 CB 0.932 9 residues pruned to eliminate duplicates Z: 11 15.090 1.800 0.665 0.798 1.000 0.700 CA 1.226 11 residues pruned to eliminate duplicates Z: 7 15.743 1.922 0.746 0.870 1.000 0.500 CA 1.398 7 residues pruned to eliminate duplicates Z: 11 7.656 1.980 0.344 0.741 0.900 0.600 CB 0.814 11 residues pruned to eliminate duplicates 6 1.722 1.258 0.244 0.523 0.600 0.400 CB 0.802 ? Z: 22 17.775 1.949 0.542 0.505 0.905 0.619 CB 1.420 25 residues pruned to eliminate duplicates Z: 18 24.295 2.090 0.600 0.913 1.000 0.706 CB 1.246 18 residues pruned to eliminate duplicates Z: 7 8.366 1.975 0.734 0.245 0.833 0.667 CA 1.607 7 residues pruned to eliminate duplicates 6 1.377 1.409 -0.063 0.308 1.000 0.600 CA 0.577 ? Z: 6 6.747 1.438 0.842 0.613 1.000 0.200 CB 1.023 Z: 15 9.876 1.931 0.212 0.456 0.929 0.571 CA 1.270 15 residues pruned to eliminate duplicates Z: 20 6.362 1.783 0.078 0.265 0.895 0.421 CA 1.109 19 residues pruned to eliminate duplicates Z: 6 3.058 1.313 0.624 0.220 0.800 0.400 N 1.113 Z: 6 3.182 1.430 -0.046 0.606 1.000 0.600 CB 0.944 Z: 7 4.277 1.628 0.612 0.343 0.667 0.333 CA 1.184 7 residues pruned to eliminate duplicates Z: 8 8.183 2.085 0.491 0.391 0.857 0.429 CA 1.302 8 residues pruned to eliminate duplicates Z: 9 2.174 1.397 0.319 0.351 0.875 0.500 N 0.560 Z: 11 17.719 2.040 0.566 0.860 1.000 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 8 3.688 1.849 -0.074 0.427 0.714 0.429 CB 1.230 8 residues pruned to eliminate duplicates Z: 21 16.757 1.879 0.490 0.519 0.950 0.700 CB 1.382 21 residues pruned to eliminate duplicates Z: 39 15.390 1.830 0.357 0.380 0.921 0.474 CB 1.240 39 residues pruned to eliminate duplicates Z: 7 2.454 1.267 0.837 0.300 0.667 0.500 C 0.807 Z: 20 28.037 1.972 0.842 0.933 1.000 0.632 CB 1.236 20 residues pruned to eliminate duplicates Z: 19 18.046 1.955 0.479 0.911 0.944 0.611 CB 1.105 19 residues pruned to eliminate duplicates Z: 15 7.282 1.677 0.255 0.419 0.857 0.429 CB 1.174 11 residues pruned to eliminate duplicates Z: 20 20.900 1.989 0.411 0.779 0.947 0.789 CA 1.409 20 residues pruned to eliminate duplicates Z: 24 22.280 2.069 0.564 0.546 0.957 0.609 CB 1.434 23 residues pruned to eliminate duplicates 6 1.491 1.319 -0.075 0.330 0.800 0.600 CA 0.824 ? Z: 6 3.133 1.382 0.430 0.493 0.800 0.600 N 0.893 Z: 7 2.989 1.336 0.097 0.574 0.833 0.667 C 0.931 7 residues pruned to eliminate duplicates Z: 11 18.857 1.981 0.821 0.803 1.000 0.700 CB 1.269 11 residues pruned to eliminate duplicates 6 1.800 1.516 0.194 0.272 0.600 0.200 CB 0.960 ? Z: 8 3.435 1.437 0.206 0.579 0.714 0.571 CA 0.971 6 0.952 1.259 0.101 0.339 0.400 0.400 N 0.916 ? Z: 14 8.840 1.787 0.124 0.569 0.923 0.846 CA 1.237 14 residues pruned to eliminate duplicates Z: 6 5.241 1.495 0.740 0.484 0.800 0.600 O 1.144 Z: 13 8.091 1.771 0.202 0.501 0.917 0.417 CA 1.196 13 residues pruned to eliminate duplicates Z: 8 5.355 1.639 0.500 0.297 0.857 0.429 CA 1.205 Z: 6 3.358 1.327 1.079 0.784 1.000 0.600 CB 0.424 Z: 7 3.361 1.485 0.492 0.245 0.833 0.667 CA 0.998 Z: 32 14.288 1.938 0.376 0.369 0.806 0.452 CB 1.373 32 residues pruned to eliminate duplicates Z: 12 8.005 1.878 0.586 0.515 0.818 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 11 5.472 1.809 0.169 0.375 0.800 0.400 CA 1.169 11 residues pruned to eliminate duplicates 6 0.982 0.949 0.072 0.298 1.000 0.800 N 0.541 ? Using tripeptides from previous cycle as seeds Z: 6 2.099 1.564 0.272 0.262 0.800 0.400 CA 0.774 6 residues pruned to eliminate duplicates Z: 7 3.600 1.555 0.216 0.521 0.833 0.667 CA 0.914 8 residues pruned to eliminate duplicates Z: 6 2.119 1.298 0.405 0.472 0.800 0.600 CB 0.669 6 residues pruned to eliminate duplicates Z: 6 3.953 1.666 0.296 0.617 0.800 0.800 CA 0.916 6 residues pruned to eliminate duplicates Z: 6 3.390 1.692 0.609 0.308 1.000 0.400 CA 0.689 5 residues pruned to eliminate duplicates Z: 6 2.330 1.478 0.424 0.375 0.800 0.400 CB 0.707 5 residues pruned to eliminate duplicates Z: 6 3.141 1.505 0.588 0.291 0.600 0.400 CA 1.239 6 residues pruned to eliminate duplicates Z: 12 6.842 1.674 0.505 0.358 0.818 0.455 CA 1.167 10 residues pruned to eliminate duplicates Z: 8 11.018 1.768 0.854 0.407 1.000 0.429 CA 1.400 6 residues pruned to eliminate duplicates Z: 8 3.074 1.221 0.551 0.659 0.857 0.571 CA 0.617 8 residues pruned to eliminate duplicates Z: 11 8.412 1.937 0.819 0.313 0.800 0.500 CB 1.161 7 residues pruned to eliminate duplicates Z: 7 6.189 1.470 0.536 0.481 1.000 0.667 CB 1.140 Z: 8 8.018 1.834 0.545 0.444 1.000 0.571 CA 1.133 11 residues pruned to eliminate duplicates Z: 6 8.910 1.750 0.726 0.634 1.000 0.800 CA 1.163 6 residues pruned to eliminate duplicates Z: 7 5.012 1.467 0.678 0.752 0.667 0.333 CA 0.995 7 residues pruned to eliminate duplicates Z: 8 7.195 1.817 0.559 0.300 1.000 0.571 CB 1.200 8 residues pruned to eliminate duplicates Z: 26 15.079 1.887 0.425 0.397 0.880 0.440 CB 1.420 26 residues pruned to eliminate duplicates Z: 26 15.446 1.860 0.404 0.502 0.880 0.480 CA 1.341 26 residues pruned to eliminate duplicates Z: 26 16.634 1.937 0.394 0.446 0.920 0.600 CB 1.416 26 residues pruned to eliminate duplicates Z: 24 17.166 1.942 0.514 0.430 0.913 0.522 CA 1.433 23 residues pruned to eliminate duplicates Z: 6 9.322 2.051 0.523 0.668 0.800 0.600 CA 1.428 6 residues pruned to eliminate duplicates Z: 26 17.332 1.927 0.571 0.463 0.880 0.480 CA 1.352 26 residues pruned to eliminate duplicates Z: 28 16.116 1.922 0.533 0.420 0.852 0.407 CB 1.343 28 residues pruned to eliminate duplicates Z: 24 16.739 1.983 0.538 0.428 0.870 0.478 CA 1.419 25 residues pruned to eliminate duplicates Z: 6 3.320 1.393 0.251 0.412 1.000 1.000 O 0.934 6 residues pruned to eliminate duplicates Z: 26 16.633 1.967 0.426 0.403 0.920 0.400 CB 1.428 26 residues pruned to eliminate duplicates Z: 6 3.010 1.645 0.684 0.104 0.800 0.000 CA 1.006 6 residues pruned to eliminate duplicates Z: 27 18.026 1.967 0.457 0.410 0.962 0.423 CB 1.410 27 residues pruned to eliminate duplicates Z: 7 6.899 1.823 0.615 0.672 0.833 0.667 CA 0.980 7 residues pruned to eliminate duplicates Z: 7 5.641 1.827 0.529 0.495 1.000 0.500 CA 0.828 7 residues pruned to eliminate duplicates Z: 19 9.742 1.751 0.439 0.484 0.889 0.444 CB 1.042 19 residues pruned to eliminate duplicates Z: 6 5.598 1.922 0.779 0.575 1.000 0.400 CA 0.681 6 residues pruned to eliminate duplicates Z: 16 13.124 1.941 0.539 0.522 0.933 0.467 CB 1.190 16 residues pruned to eliminate duplicates Z: 6 4.007 1.644 0.506 0.571 1.000 0.400 CA 0.676 6 residues pruned to eliminate duplicates Z: 14 9.266 1.799 0.378 0.560 1.000 0.615 CB 0.977 14 residues pruned to eliminate duplicates Z: 7 4.395 1.359 0.413 0.421 1.000 0.333 CA 1.015 7 residues pruned to eliminate duplicates Z: 18 13.357 1.854 0.476 0.515 1.000 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 6 2.549 1.444 -0.201 0.393 1.000 0.800 CB 1.107 6 residues pruned to eliminate duplicates Z: 34 12.320 1.868 0.222 0.341 0.879 0.576 CB 1.272 34 residues pruned to eliminate duplicates Z: 31 15.710 1.912 0.247 0.451 1.000 0.667 CB 1.264 31 residues pruned to eliminate duplicates Z: 6 4.031 1.531 0.047 0.500 1.000 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 32 10.065 1.865 0.205 0.327 0.839 0.645 CB 1.160 32 residues pruned to eliminate duplicates Z: 31 14.610 1.961 0.217 0.376 0.967 0.567 CB 1.320 31 residues pruned to eliminate duplicates Z: 34 13.451 1.885 0.249 0.343 0.879 0.667 CB 1.343 34 residues pruned to eliminate duplicates Z: 32 13.311 1.900 0.295 0.392 0.903 0.581 CB 1.207 32 residues pruned to eliminate duplicates Z: 30 11.639 1.930 0.164 0.375 0.897 0.586 CB 1.227 30 residues pruned to eliminate duplicates Z: 33 14.623 1.897 0.202 0.378 0.969 0.594 CB 1.333 33 residues pruned to eliminate duplicates Z: 31 13.167 1.922 0.208 0.429 0.900 0.667 CB 1.238 31 residues pruned to eliminate duplicates Z: 30 13.753 1.961 0.212 0.377 0.931 0.552 CB 1.316 30 residues pruned to eliminate duplicates Z: 30 12.589 1.931 0.245 0.338 0.931 0.517 CB 1.245 30 residues pruned to eliminate duplicates Z: 19 10.719 2.018 0.227 0.314 0.944 0.611 CB 1.328 19 residues pruned to eliminate duplicates Z: 36 12.924 1.843 0.231 0.345 0.914 0.571 CB 1.246 36 residues pruned to eliminate duplicates Z: 34 14.287 1.915 0.315 0.317 0.909 0.485 CB 1.330 34 residues pruned to eliminate duplicates Z: 30 12.235 1.962 0.265 0.373 0.862 0.621 CB 1.216 30 residues pruned to eliminate duplicates Z: 30 12.920 1.933 0.248 0.378 0.931 0.690 CB 1.217 30 residues pruned to eliminate duplicates Z: 32 15.776 1.973 0.338 0.379 0.935 0.613 CB 1.306 32 residues pruned to eliminate duplicates Z: 30 13.936 1.958 0.212 0.417 0.931 0.724 CB 1.277 30 residues pruned to eliminate duplicates Z: 31 12.788 1.895 0.269 0.368 0.900 0.667 CB 1.243 31 residues pruned to eliminate duplicates Z: 29 14.853 1.994 0.319 0.370 0.929 0.607 CB 1.321 29 residues pruned to eliminate duplicates Z: 32 13.817 1.865 0.212 0.396 0.968 0.613 CB 1.266 32 residues pruned to eliminate duplicates Z: 9 5.381 1.868 0.187 0.536 0.750 0.625 CA 1.103 9 residues pruned to eliminate duplicates Z: 28 14.505 2.004 0.278 0.410 0.926 0.630 CB 1.294 28 residues pruned to eliminate duplicates Z: 29 14.252 1.943 0.215 0.434 0.929 0.643 CB 1.316 29 residues pruned to eliminate duplicates Z: 39 15.412 1.875 0.302 0.354 0.895 0.632 CB 1.340 39 residues pruned to eliminate duplicates Z: 36 13.077 1.877 0.198 0.401 0.886 0.629 CB 1.231 36 residues pruned to eliminate duplicates Z: 11 6.159 1.563 0.590 0.445 0.700 0.600 CA 1.185 11 residues pruned to eliminate duplicates Z: 39 13.705 1.883 0.256 0.337 0.842 0.553 CB 1.334 39 residues pruned to eliminate duplicates Z: 12 4.137 1.622 0.432 0.171 0.636 0.364 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 4.314 1.543 0.475 0.345 0.800 0.400 O 1.254 4 residues pruned to eliminate duplicates Z: 6 2.858 1.395 0.382 0.370 1.000 0.600 CA 0.762 6 residues pruned to eliminate duplicates Z: 22 12.478 1.849 0.399 0.389 0.857 0.571 CA 1.381 22 residues pruned to eliminate duplicates Z: 17 10.316 1.850 0.395 0.411 0.875 0.625 CA 1.253 17 residues pruned to eliminate duplicates Z: 23 12.192 1.793 0.414 0.405 0.909 0.545 CA 1.246 23 residues pruned to eliminate duplicates Z: 6 5.393 1.483 0.879 0.339 1.000 0.600 CA 1.032 6 residues pruned to eliminate duplicates Z: 34 24.598 2.097 0.484 0.484 0.939 0.636 CB 1.488 35 residues pruned to eliminate duplicates Z: 8 4.219 1.598 0.149 0.483 0.857 0.286 CA 1.031 8 residues pruned to eliminate duplicates Z: 26 15.749 1.962 0.393 0.369 0.920 0.520 CA 1.442 26 residues pruned to eliminate duplicates Z: 35 21.632 2.060 0.462 0.463 0.882 0.559 CA 1.450 35 residues pruned to eliminate duplicates Z: 35 25.857 2.091 0.455 0.512 0.971 0.588 CA 1.483 34 residues pruned to eliminate duplicates Z: 8 4.419 1.684 0.485 0.362 0.857 0.429 CA 0.904 8 residues pruned to eliminate duplicates Z: 34 24.023 2.113 0.511 0.477 0.879 0.576 CA 1.525 34 residues pruned to eliminate duplicates Z: 36 17.510 1.986 0.365 0.423 0.857 0.486 CB 1.380 36 residues pruned to eliminate duplicates Z: 34 21.205 2.067 0.440 0.453 0.909 0.636 CB 1.432 34 residues pruned to eliminate duplicates Z: 34 22.722 2.084 0.516 0.474 0.939 0.606 CB 1.369 34 residues pruned to eliminate duplicates Z: 34 23.299 2.086 0.451 0.468 0.970 0.606 CB 1.427 34 residues pruned to eliminate duplicates Z: 36 21.843 2.017 0.493 0.468 0.943 0.571 CB 1.344 36 residues pruned to eliminate duplicates Z: 25 17.558 2.078 0.482 0.497 0.792 0.542 CB 1.473 25 residues pruned to eliminate duplicates Z: 21 21.289 2.161 0.506 0.566 0.900 0.600 CB 1.525 21 residues pruned to eliminate duplicates Z: 23 16.766 2.150 0.308 0.533 0.864 0.545 CA 1.425 23 residues pruned to eliminate duplicates Z: 33 21.071 2.113 0.411 0.449 0.875 0.531 CA 1.505 33 residues pruned to eliminate duplicates Z: 35 22.227 2.063 0.480 0.465 0.941 0.588 CB 1.375 35 residues pruned to eliminate duplicates Z: 35 19.832 2.048 0.527 0.423 0.824 0.588 CB 1.430 35 residues pruned to eliminate duplicates Z: 27 16.027 2.025 0.399 0.478 0.885 0.615 CB 1.282 27 residues pruned to eliminate duplicates Z: 6 2.448 1.747 0.619 0.392 0.600 0.400 CA 0.723 6 residues pruned to eliminate duplicates Z: 34 21.118 2.018 0.499 0.433 0.909 0.606 CB 1.432 34 residues pruned to eliminate duplicates Z: 23 22.352 2.162 0.479 0.552 0.955 0.545 CA 1.484 24 residues pruned to eliminate duplicates Z: 6 6.132 1.606 0.767 0.317 1.000 0.400 CA 1.182 6 residues pruned to eliminate duplicates Z: 34 24.872 2.091 0.470 0.491 0.970 0.576 CB 1.465 34 residues pruned to eliminate duplicates Z: 16 8.301 1.813 0.391 0.440 0.733 0.600 CB 1.233 16 residues pruned to eliminate duplicates Z: 16 8.668 1.793 0.487 0.348 0.867 0.533 CB 1.142 16 residues pruned to eliminate duplicates Z: 25 11.973 1.898 0.483 0.291 0.792 0.542 CB 1.386 26 residues pruned to eliminate duplicates Z: 7 8.919 1.705 0.642 0.441 1.000 1.000 CA 1.383 7 residues pruned to eliminate duplicates Z: 14 12.395 1.993 0.495 0.404 0.923 0.615 CB 1.383 14 residues pruned to eliminate duplicates Z: 14 11.343 1.982 0.448 0.409 0.923 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 15 12.474 1.984 0.586 0.393 0.929 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 14 10.492 1.862 0.441 0.477 0.846 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 22 9.663 1.900 0.589 0.247 0.714 0.524 CB 1.310 22 residues pruned to eliminate duplicates Z: 17 9.958 1.903 0.401 0.332 0.938 0.500 CB 1.197 17 residues pruned to eliminate duplicates Z: 14 11.035 1.968 0.427 0.359 0.923 0.615 CB 1.375 14 residues pruned to eliminate duplicates Z: 18 9.723 1.901 0.470 0.332 0.765 0.529 CB 1.326 18 residues pruned to eliminate duplicates Z: 23 16.330 2.026 0.650 0.369 0.818 0.682 CB 1.464 42 residues pruned to eliminate duplicates Z: 6 3.478 1.705 0.753 0.148 0.800 0.400 CA 1.005 6 residues pruned to eliminate duplicates Z: 13 8.416 1.823 0.934 0.269 0.750 0.333 CB 1.195 13 residues pruned to eliminate duplicates Z: 35 28.496 2.053 0.500 0.634 0.941 0.647 CA 1.487 35 residues pruned to eliminate duplicates Z: 15 8.545 1.852 0.508 0.442 0.714 0.500 CA 1.215 15 residues pruned to eliminate duplicates Z: 13 6.035 1.838 0.179 0.311 0.667 0.583 CA 1.487 13 residues pruned to eliminate duplicates Z: 37 27.505 2.020 0.565 0.651 0.889 0.583 CA 1.416 37 residues pruned to eliminate duplicates Z: 38 31.153 2.057 0.595 0.621 0.919 0.568 CA 1.515 38 residues pruned to eliminate duplicates Z: 36 27.541 2.058 0.535 0.632 0.914 0.657 CA 1.424 36 residues pruned to eliminate duplicates Z: 36 27.717 2.049 0.513 0.634 0.914 0.629 CA 1.458 36 residues pruned to eliminate duplicates Z: 33 24.382 2.038 0.409 0.644 0.938 0.688 CA 1.400 33 residues pruned to eliminate duplicates Z: 27 27.362 2.080 0.597 0.712 0.923 0.692 CA 1.444 27 residues pruned to eliminate duplicates Z: 84 40.305 2.009 0.511 0.553 0.940 0.639 CA 1.474 84 residues pruned to eliminate duplicates Z: 45 35.903 2.072 0.553 0.673 0.977 0.682 CA 1.468 45 residues pruned to eliminate duplicates Z: 27 27.989 2.069 0.583 0.685 0.923 0.500 CA 1.532 27 residues pruned to eliminate duplicates Z: 28 24.755 2.073 0.415 0.677 1.000 0.741 CA 1.379 28 residues pruned to eliminate duplicates Z: 34 27.769 2.021 0.518 0.645 0.939 0.515 CA 1.465 34 residues pruned to eliminate duplicates Z: 27 27.007 2.109 0.443 0.713 0.962 0.615 CA 1.492 27 residues pruned to eliminate duplicates Z: 36 27.496 2.050 0.474 0.616 0.914 0.571 CA 1.507 36 residues pruned to eliminate duplicates Z: 84 38.140 2.029 0.482 0.556 0.916 0.590 CA 1.440 84 residues pruned to eliminate duplicates Z: 28 24.057 2.021 0.517 0.728 0.926 0.704 CA 1.329 28 residues pruned to eliminate duplicates Z: 18 30.848 2.143 0.738 0.848 1.000 0.588 CA 1.490 18 residues pruned to eliminate duplicates Z: 83 43.157 2.054 0.622 0.559 0.927 0.634 CA 1.457 83 residues pruned to eliminate duplicates Z: 67 35.813 2.018 0.556 0.524 0.924 0.576 CA 1.483 67 residues pruned to eliminate duplicates Z: 29 29.308 2.068 0.531 0.737 1.000 0.714 CA 1.414 29 residues pruned to eliminate duplicates Z: 84 40.876 2.046 0.590 0.543 0.904 0.578 CA 1.464 84 residues pruned to eliminate duplicates Z: 45 36.947 2.058 0.575 0.673 0.977 0.750 CA 1.498 45 residues pruned to eliminate duplicates Z: 65 40.968 2.065 0.585 0.536 0.984 0.578 CA 1.535 65 residues pruned to eliminate duplicates Z: 19 24.170 2.084 0.465 0.787 1.000 0.333 CA 1.450 19 residues pruned to eliminate duplicates Z: 95 42.983 2.037 0.518 0.522 0.936 0.596 CB 1.500 100 residues pruned to eliminate duplicates Z: 18 24.306 1.948 0.615 0.879 1.000 0.588 CA 1.359 18 residues pruned to eliminate duplicates Z: 66 37.970 2.098 0.502 0.559 0.923 0.600 CA 1.529 66 residues pruned to eliminate duplicates Z: 31 23.415 2.045 0.578 0.593 0.833 0.500 CA 1.455 31 residues pruned to eliminate duplicates Z: 71 37.393 2.024 0.576 0.551 0.886 0.471 CA 1.505 71 residues pruned to eliminate duplicates Z: 80 40.759 2.057 0.583 0.531 0.899 0.557 CA 1.520 80 residues pruned to eliminate duplicates Z: 48 30.627 1.991 0.477 0.629 0.957 0.617 CA 1.406 48 residues pruned to eliminate duplicates Z: 9 4.744 1.997 0.340 0.165 0.875 0.500 CB 1.078 9 residues pruned to eliminate duplicates Z: 70 39.419 2.082 0.534 0.558 0.971 0.594 CA 1.446 70 residues pruned to eliminate duplicates Z: 65 41.598 2.047 0.614 0.613 0.938 0.578 CB 1.509 65 residues pruned to eliminate duplicates Z: 59 31.346 2.050 0.548 0.498 0.862 0.534 CB 1.508 60 residues pruned to eliminate duplicates Z: 12 15.235 1.967 0.501 0.732 1.000 0.818 CA 1.263 12 residues pruned to eliminate duplicates Z: 61 38.818 2.056 0.633 0.572 0.917 0.550 CB 1.519 61 residues pruned to eliminate duplicates Z: 51 35.879 2.026 0.687 0.614 0.900 0.520 CA 1.481 51 residues pruned to eliminate duplicates Z: 40 32.246 2.070 0.718 0.481 0.974 0.590 CB 1.519 40 residues pruned to eliminate duplicates Z: 48 26.822 2.023 0.541 0.468 0.936 0.489 CB 1.385 48 residues pruned to eliminate duplicates Z: 65 32.301 1.978 0.551 0.506 0.891 0.609 CA 1.468 65 residues pruned to eliminate duplicates Z: 66 37.670 1.991 0.744 0.560 0.892 0.400 CA 1.423 66 residues pruned to eliminate duplicates Z: 47 28.702 2.018 0.614 0.498 0.935 0.565 CB 1.394 47 residues pruned to eliminate duplicates Z: 70 42.797 2.064 0.597 0.560 0.957 0.594 CA 1.541 70 residues pruned to eliminate duplicates Z: 21 17.490 1.998 0.577 0.676 0.800 0.650 CA 1.319 21 residues pruned to eliminate duplicates Z: 24 24.632 2.065 0.660 0.544 1.000 0.522 CA 1.435 24 residues pruned to eliminate duplicates Z: 84 40.593 2.031 0.537 0.550 0.928 0.590 CA 1.465 84 residues pruned to eliminate duplicates Z: 61 36.291 2.079 0.506 0.567 0.933 0.583 CA 1.503 61 residues pruned to eliminate duplicates Z: 67 34.212 2.051 0.531 0.512 0.909 0.485 CA 1.458 67 residues pruned to eliminate duplicates Z: 48 27.358 2.014 0.685 0.461 0.915 0.489 CB 1.338 48 residues pruned to eliminate duplicates Z: 66 41.842 2.120 0.546 0.573 0.985 0.554 CA 1.499 66 residues pruned to eliminate duplicates Z: 46 21.918 2.019 0.461 0.410 0.889 0.578 CB 1.370 46 residues pruned to eliminate duplicates Z: 35 20.323 1.996 0.602 0.353 0.882 0.471 CB 1.448 35 residues pruned to eliminate duplicates Z: 33 19.467 2.008 0.537 0.370 0.844 0.625 CB 1.520 29 residues pruned to eliminate duplicates Z: 45 25.638 1.982 0.648 0.425 0.909 0.500 CB 1.408 45 residues pruned to eliminate duplicates Z: 26 18.346 1.978 0.637 0.421 0.840 0.520 CB 1.465 25 residues pruned to eliminate duplicates Z: 6 3.525 1.584 0.986 0.276 0.600 0.400 CA 1.076 6 residues pruned to eliminate duplicates Z: 31 16.940 1.856 0.716 0.327 0.833 0.367 CA 1.409 31 residues pruned to eliminate duplicates Z: 32 16.745 1.955 0.448 0.380 0.806 0.581 CB 1.497 32 residues pruned to eliminate duplicates Z: 34 19.822 1.973 0.700 0.392 0.818 0.485 CB 1.410 34 residues pruned to eliminate duplicates Z: 23 19.349 2.032 0.717 0.457 0.909 0.500 CB 1.359 23 residues pruned to eliminate duplicates Z: 31 20.249 2.017 0.605 0.413 0.867 0.500 CB 1.443 32 residues pruned to eliminate duplicates Z: 26 19.588 2.008 0.592 0.462 0.880 0.520 CA 1.447 26 residues pruned to eliminate duplicates Z: 85 38.407 2.017 0.498 0.538 0.905 0.560 CA 1.476 84 residues pruned to eliminate duplicates Z: 9 15.438 1.760 0.895 0.844 1.000 0.750 CA 1.217 9 residues pruned to eliminate duplicates Z: 47 27.864 2.025 0.596 0.454 0.913 0.587 CB 1.458 47 residues pruned to eliminate duplicates Z: 31 19.797 2.037 0.507 0.394 0.867 0.567 CA 1.519 31 residues pruned to eliminate duplicates Z: 24 15.727 1.988 0.440 0.476 0.826 0.565 CA 1.420 24 residues pruned to eliminate duplicates Z: 47 25.747 1.948 0.514 0.465 0.935 0.500 CA 1.426 47 residues pruned to eliminate duplicates Z: 22 15.351 1.982 0.546 0.492 0.857 0.619 CA 1.286 22 residues pruned to eliminate duplicates Z: 28 15.600 1.911 0.543 0.346 0.852 0.556 CA 1.413 28 residues pruned to eliminate duplicates Z: 42 18.846 1.874 0.396 0.442 0.854 0.439 CB 1.400 42 residues pruned to eliminate duplicates Z: 13 9.843 1.843 0.630 0.519 0.833 0.583 CB 1.114 14 residues pruned to eliminate duplicates Z: 11 12.234 2.141 0.324 0.457 0.900 0.500 CB 1.586 11 residues pruned to eliminate duplicates Z: 11 13.566 2.053 0.489 0.524 0.900 0.500 CB 1.523 11 residues pruned to eliminate duplicates Z: 12 12.223 2.101 0.278 0.441 1.000 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 13 14.929 1.964 0.763 0.458 0.917 0.417 CB 1.416 17 residues pruned to eliminate duplicates Z: 6 6.850 1.802 0.356 0.463 1.000 0.800 CA 1.302 6 residues pruned to eliminate duplicates Z: 26 17.134 1.981 0.464 0.469 0.880 0.600 CA 1.385 27 residues pruned to eliminate duplicates Z: 6 2.111 1.384 0.323 0.432 0.600 0.000 CB 0.922 6 residues pruned to eliminate duplicates Z: 13 12.738 1.991 0.667 0.517 0.833 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 9 13.617 2.073 0.599 0.514 1.000 0.375 CA 1.432 9 residues pruned to eliminate duplicates Z: 15 10.899 1.899 0.487 0.521 0.929 0.571 CB 1.087 15 residues pruned to eliminate duplicates Z: 14 9.142 1.956 0.590 0.415 0.769 0.615 CA 1.159 14 residues pruned to eliminate duplicates Z: 40 18.318 1.945 0.341 0.432 0.846 0.564 CB 1.426 40 residues pruned to eliminate duplicates Z: 9 9.553 1.872 0.344 0.536 0.875 0.625 CB 1.480 9 residues pruned to eliminate duplicates Z: 12 5.660 1.770 0.317 0.295 0.727 0.273 CB 1.266 12 residues pruned to eliminate duplicates Z: 23 12.636 1.831 0.485 0.370 0.864 0.545 CB 1.318 23 residues pruned to eliminate duplicates Z: 24 10.630 1.791 0.513 0.325 0.826 0.565 CB 1.201 24 residues pruned to eliminate duplicates Z: 17 13.887 1.889 0.507 0.436 0.875 0.688 CB 1.489 17 residues pruned to eliminate duplicates Z: 18 10.452 1.887 0.425 0.357 0.824 0.529 CB 1.336 18 residues pruned to eliminate duplicates Z: 15 9.333 1.865 0.361 0.405 0.786 0.643 CB 1.381 15 residues pruned to eliminate duplicates Z: 18 8.957 1.868 0.263 0.311 0.882 0.471 CB 1.287 18 residues pruned to eliminate duplicates Z: 13 9.462 1.889 0.400 0.436 0.750 0.417 CB 1.471 13 residues pruned to eliminate duplicates Z: 18 15.568 1.918 0.502 0.525 0.882 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 22 11.201 1.914 0.514 0.282 0.857 0.619 CB 1.259 22 residues pruned to eliminate duplicates Z: 20 10.402 1.853 0.406 0.372 0.789 0.579 CB 1.330 20 residues pruned to eliminate duplicates Z: 22 15.804 1.901 0.538 0.418 0.857 0.571 CB 1.500 22 residues pruned to eliminate duplicates Z: 28 13.165 1.929 0.471 0.297 0.778 0.444 CB 1.440 28 residues pruned to eliminate duplicates Z: 37 19.226 1.938 0.404 0.406 0.944 0.556 CB 1.376 37 residues pruned to eliminate duplicates Z: 27 13.818 1.900 0.402 0.350 0.808 0.423 CB 1.482 27 residues pruned to eliminate duplicates Z: 13 10.654 1.904 0.673 0.351 0.833 0.417 CA 1.361 13 residues pruned to eliminate duplicates Z: 15 7.972 1.884 0.286 0.321 0.786 0.500 CB 1.363 15 residues pruned to eliminate duplicates Z: 32 11.276 1.924 0.202 0.306 0.839 0.419 CB 1.295 32 residues pruned to eliminate duplicates Z: 26 15.146 1.995 0.331 0.369 0.920 0.520 CB 1.427 26 residues pruned to eliminate duplicates Z: 17 7.462 1.796 0.321 0.220 0.812 0.250 CB 1.344 17 residues pruned to eliminate duplicates Z: 32 16.219 1.874 0.604 0.315 0.871 0.484 CB 1.365 32 residues pruned to eliminate duplicates Z: 49 19.447 1.993 0.473 0.331 0.833 0.500 CB 1.381 49 residues pruned to eliminate duplicates Z: 16 8.043 1.846 0.408 0.225 0.800 0.400 CB 1.377 16 residues pruned to eliminate duplicates Z: 21 11.636 1.948 0.254 0.368 0.950 0.500 CB 1.291 21 residues pruned to eliminate duplicates Z: 29 14.301 1.945 0.370 0.344 0.893 0.464 CB 1.345 29 residues pruned to eliminate duplicates Z: 17 8.986 1.902 0.479 0.314 0.812 0.375 CB 1.207 17 residues pruned to eliminate duplicates Z: 19 11.314 1.997 0.352 0.345 0.944 0.444 CB 1.238 19 residues pruned to eliminate duplicates Z: 12 9.700 2.001 0.309 0.406 0.909 0.545 CA 1.355 12 residues pruned to eliminate duplicates Z: 14 8.265 1.901 0.114 0.418 0.846 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 17 9.690 1.870 0.340 0.325 0.875 0.562 CA 1.340 17 residues pruned to eliminate duplicates Z: 13 8.287 1.936 0.093 0.423 0.917 0.583 CB 1.336 13 residues pruned to eliminate duplicates Z: 12 10.391 2.019 0.436 0.340 0.909 0.545 N 1.416 12 residues pruned to eliminate duplicates Z: 22 11.283 1.844 0.349 0.314 0.857 0.429 CB 1.419 22 residues pruned to eliminate duplicates Z: 12 9.001 1.907 0.545 0.352 0.818 0.273 CB 1.322 12 residues pruned to eliminate duplicates Z: 10 7.950 1.871 0.337 0.322 0.889 0.556 CB 1.449 10 residues pruned to eliminate duplicates Z: 16 9.627 1.831 0.395 0.409 0.933 0.467 CA 1.148 16 residues pruned to eliminate duplicates Z: 41 18.059 1.925 0.473 0.364 0.850 0.500 CB 1.371 41 residues pruned to eliminate duplicates Z: 25 13.859 1.994 0.420 0.445 0.750 0.542 CA 1.411 25 residues pruned to eliminate duplicates Z: 35 17.885 1.972 0.469 0.365 0.882 0.471 CB 1.388 35 residues pruned to eliminate duplicates Z: 35 17.961 1.965 0.407 0.354 0.912 0.353 CA 1.430 35 residues pruned to eliminate duplicates Z: 43 15.601 1.946 0.444 0.292 0.762 0.381 CB 1.420 43 residues pruned to eliminate duplicates Z: 32 18.276 1.992 0.467 0.421 0.871 0.484 CB 1.400 32 residues pruned to eliminate duplicates Z: 15 9.599 2.125 0.370 0.367 0.643 0.571 CB 1.581 15 residues pruned to eliminate duplicates Z: 14 11.045 2.105 0.391 0.398 0.769 0.462 CB 1.515 14 residues pruned to eliminate duplicates Z: 15 12.293 2.107 0.408 0.419 0.857 0.571 CB 1.406 15 residues pruned to eliminate duplicates Z: 6 9.414 2.111 0.352 0.603 0.800 0.600 CB 1.671 6 residues pruned to eliminate duplicates Z: 14 9.983 2.141 0.151 0.345 0.846 0.308 CB 1.571 14 residues pruned to eliminate duplicates Z: 16 11.364 2.090 0.318 0.396 0.800 0.467 CA 1.486 16 residues pruned to eliminate duplicates Z: 30 14.514 1.884 0.549 0.408 0.793 0.517 CB 1.283 30 residues pruned to eliminate duplicates Z: 19 10.864 1.923 0.328 0.313 0.889 0.500 CB 1.387 19 residues pruned to eliminate duplicates Z: 15 11.852 2.066 0.464 0.319 0.857 0.500 CA 1.492 15 residues pruned to eliminate duplicates Z: 13 9.806 2.094 0.326 0.400 0.750 0.500 CB 1.509 13 residues pruned to eliminate duplicates Z: 28 11.746 1.915 0.478 0.247 0.852 0.333 CB 1.254 28 residues pruned to eliminate duplicates Z: 24 13.489 2.032 0.421 0.352 0.826 0.435 CB 1.384 24 residues pruned to eliminate duplicates Z: 9 6.760 1.925 0.476 0.271 0.875 0.250 CB 1.246 9 residues pruned to eliminate duplicates Z: 11 4.365 1.874 0.065 0.211 0.700 0.200 CA 1.390 11 residues pruned to eliminate duplicates Z: 7 4.533 1.941 0.184 0.258 0.833 0.500 N 1.274 7 residues pruned to eliminate duplicates Z: 20 9.850 2.078 0.337 0.259 0.737 0.368 CB 1.455 20 residues pruned to eliminate duplicates Z: 15 8.806 1.867 0.561 0.313 0.786 0.286 C 1.264 15 residues pruned to eliminate duplicates Z: 41 28.375 2.101 0.467 0.482 0.900 0.575 CB 1.648 41 residues pruned to eliminate duplicates Z: 31 29.230 2.055 0.564 0.580 0.933 0.733 CA 1.647 31 residues pruned to eliminate duplicates Z: 44 26.847 2.073 0.417 0.513 0.884 0.558 CB 1.558 44 residues pruned to eliminate duplicates Z: 22 27.506 2.113 0.435 0.699 1.000 0.857 CB 1.651 22 residues pruned to eliminate duplicates Z: 31 26.094 2.038 0.549 0.585 0.833 0.600 CB 1.670 31 residues pruned to eliminate duplicates Z: 42 26.629 2.104 0.494 0.452 0.854 0.561 CA 1.629 42 residues pruned to eliminate duplicates Z: 26 20.917 1.976 0.434 0.577 0.880 0.640 CA 1.558 26 residues pruned to eliminate duplicates Z: 27 30.717 2.138 0.535 0.632 0.962 0.577 CB 1.686 27 residues pruned to eliminate duplicates Z: 22 27.954 2.141 0.505 0.727 0.905 0.667 CB 1.705 22 residues pruned to eliminate duplicates Z: 64 37.826 2.081 0.606 0.512 0.905 0.540 CB 1.557 67 residues pruned to eliminate duplicates Z: 19 15.463 1.994 0.368 0.880 0.833 0.611 CB 1.162 19 residues pruned to eliminate duplicates Z: 23 28.196 2.122 0.449 0.713 1.000 0.818 CB 1.611 23 residues pruned to eliminate duplicates Z: 37 27.041 1.930 0.627 0.523 0.917 0.583 CB 1.531 37 residues pruned to eliminate duplicates Z: 47 24.996 2.021 0.473 0.481 0.826 0.478 CB 1.527 47 residues pruned to eliminate duplicates Z: 32 21.551 1.999 0.380 0.519 0.839 0.452 CB 1.642 32 residues pruned to eliminate duplicates Z: 22 18.770 2.040 0.575 0.487 0.857 0.524 CB 1.507 22 residues pruned to eliminate duplicates Z: 48 29.671 2.052 0.466 0.502 0.894 0.511 CB 1.607 48 residues pruned to eliminate duplicates Z: 42 24.794 2.078 0.536 0.429 0.805 0.512 CB 1.623 42 residues pruned to eliminate duplicates Z: 56 32.620 2.057 0.582 0.537 0.836 0.527 CB 1.558 56 residues pruned to eliminate duplicates Z: 22 28.477 2.102 0.674 0.572 0.952 0.524 CB 1.730 22 residues pruned to eliminate duplicates Z: 27 21.143 2.016 0.558 0.490 0.846 0.538 CB 1.576 27 residues pruned to eliminate duplicates Z: 34 20.259 1.891 0.495 0.461 0.848 0.515 CB 1.530 34 residues pruned to eliminate duplicates Z: 30 20.064 2.027 0.400 0.496 0.862 0.483 CB 1.528 30 residues pruned to eliminate duplicates Z: 26 21.275 2.073 0.424 0.466 0.920 0.560 CB 1.622 26 residues pruned to eliminate duplicates Z: 31 21.613 2.056 0.544 0.474 0.800 0.633 CB 1.597 31 residues pruned to eliminate duplicates Z: 26 12.771 1.972 0.519 0.361 0.720 0.520 CB 1.376 26 residues pruned to eliminate duplicates Z: 11 9.980 1.822 0.620 0.547 0.900 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 40 21.539 1.945 0.671 0.492 0.795 0.462 CB 1.346 40 residues pruned to eliminate duplicates Z: 75 24.638 1.912 0.555 0.375 0.797 0.378 CB 1.381 75 residues pruned to eliminate duplicates Z: 6 14.279 2.018 0.803 0.639 1.000 0.600 CA 1.541 6 residues pruned to eliminate duplicates Z: 18 16.924 2.122 0.830 0.411 0.824 0.471 CA 1.409 18 residues pruned to eliminate duplicates Z: 18 18.301 2.146 0.699 0.348 0.941 0.412 CB 1.524 18 residues pruned to eliminate duplicates Z: 17 18.280 2.117 0.769 0.455 0.938 0.438 CB 1.362 17 residues pruned to eliminate duplicates Z: 37 27.525 2.127 0.736 0.508 0.889 0.556 CB 1.386 37 residues pruned to eliminate duplicates Z: 6 3.311 1.587 0.677 0.307 0.800 0.800 CA 0.862 6 residues pruned to eliminate duplicates Z: 34 27.705 2.143 0.679 0.498 0.879 0.636 CB 1.528 34 residues pruned to eliminate duplicates Z: 30 14.721 1.923 0.373 0.413 0.966 0.483 CB 1.174 30 residues pruned to eliminate duplicates Z: 14 13.479 1.974 0.820 0.546 0.769 0.462 CB 1.292 14 residues pruned to eliminate duplicates Z: 13 12.875 2.117 0.541 0.252 1.000 0.583 CB 1.515 13 residues pruned to eliminate duplicates Z: 62 36.046 2.081 0.622 0.504 0.902 0.508 CB 1.510 62 residues pruned to eliminate duplicates Z: 6 3.737 1.514 0.684 0.327 0.800 0.600 CA 0.990 6 residues pruned to eliminate duplicates Z: 34 29.001 2.174 0.638 0.494 0.939 0.545 CB 1.519 34 residues pruned to eliminate duplicates Z: 6 2.593 1.635 0.219 0.294 0.800 0.600 CB 0.917 6 residues pruned to eliminate duplicates Z: 32 26.581 2.171 0.574 0.441 0.935 0.484 CB 1.587 32 residues pruned to eliminate duplicates Z: 35 26.627 2.150 0.580 0.500 0.912 0.588 CB 1.475 35 residues pruned to eliminate duplicates Z: 9 10.939 1.766 0.533 0.831 1.000 0.625 CA 1.073 9 residues pruned to eliminate duplicates Z: 28 23.397 2.193 0.662 0.429 0.889 0.519 CB 1.496 28 residues pruned to eliminate duplicates Z: 36 31.200 2.142 0.751 0.488 0.943 0.571 CB 1.510 36 residues pruned to eliminate duplicates Z: 13 19.924 2.081 0.678 0.694 0.917 0.667 CB 1.505 13 residues pruned to eliminate duplicates Z: 35 26.888 2.134 0.639 0.480 0.912 0.588 CB 1.476 35 residues pruned to eliminate duplicates Z: 9 15.073 1.929 0.761 0.854 0.875 0.750 CA 1.324 9 residues pruned to eliminate duplicates Z: 62 33.674 2.013 0.623 0.478 0.902 0.492 CB 1.496 62 residues pruned to eliminate duplicates Z: 34 17.527 2.116 0.401 0.346 0.818 0.545 CB 1.487 34 residues pruned to eliminate duplicates Z: 35 18.332 2.097 0.373 0.338 0.853 0.412 CB 1.528 35 residues pruned to eliminate duplicates Z: 11 3.251 1.646 0.549 0.160 0.700 0.100 CB 0.873 11 residues pruned to eliminate duplicates Z: 24 18.511 2.068 0.377 0.454 0.913 0.522 CB 1.557 24 residues pruned to eliminate duplicates Z: 16 11.446 2.050 0.304 0.464 0.733 0.533 CB 1.564 6 residues pruned to eliminate duplicates Z: 6 2.672 1.677 0.999 0.315 0.600 0.200 CB 0.729 6 residues pruned to eliminate duplicates Z: 40 13.361 1.945 0.385 0.313 0.744 0.385 CB 1.314 28 residues pruned to eliminate duplicates Z: 8 11.140 1.905 0.747 0.468 1.000 0.286 CB 1.307 Z: 33 15.160 1.978 0.494 0.316 0.781 0.500 CB 1.423 33 residues pruned to eliminate duplicates Z: 33 13.555 2.089 0.314 0.308 0.781 0.438 CB 1.382 33 residues pruned to eliminate duplicates Z: 11 5.463 2.123 0.370 0.255 0.600 0.400 CA 1.312 11 residues pruned to eliminate duplicates Z: 27 13.832 2.025 0.407 0.314 0.808 0.538 CA 1.449 27 residues pruned to eliminate duplicates Z: 37 14.749 1.999 0.453 0.332 0.750 0.500 CB 1.356 37 residues pruned to eliminate duplicates Z: 35 16.342 2.105 0.402 0.319 0.794 0.471 CB 1.461 35 residues pruned to eliminate duplicates Z: 26 13.720 2.085 0.331 0.302 0.840 0.520 CB 1.467 26 residues pruned to eliminate duplicates Z: 30 13.460 2.021 0.419 0.271 0.793 0.586 CB 1.426 30 residues pruned to eliminate duplicates Z: 34 12.292 1.994 0.354 0.286 0.727 0.515 CB 1.386 34 residues pruned to eliminate duplicates Z: 35 14.185 2.070 0.340 0.309 0.765 0.441 CB 1.418 35 residues pruned to eliminate duplicates Z: 28 13.554 2.023 0.381 0.309 0.815 0.481 CA 1.416 28 residues pruned to eliminate duplicates Z: 28 15.263 2.038 0.361 0.322 0.889 0.519 CB 1.450 28 residues pruned to eliminate duplicates Z: 24 13.709 2.052 0.263 0.401 0.783 0.478 CB 1.564 24 residues pruned to eliminate duplicates Z: 18 13.632 2.001 0.327 0.425 0.941 0.588 CA 1.430 18 residues pruned to eliminate duplicates Z: 35 12.076 2.066 0.399 0.325 0.618 0.412 CB 1.406 35 residues pruned to eliminate duplicates Z: 36 17.417 2.060 0.469 0.356 0.829 0.429 CB 1.371 44 residues pruned to eliminate duplicates Z: 19 11.505 1.865 0.395 0.428 0.778 0.500 CA 1.444 23 residues pruned to eliminate duplicates Z: 7 3.036 1.736 0.282 0.489 0.667 0.333 CA 0.844 7 residues pruned to eliminate duplicates Z: 30 15.574 1.957 0.352 0.403 0.862 0.517 CB 1.405 30 residues pruned to eliminate duplicates Z: 64 20.980 2.028 0.366 0.327 0.857 0.524 CB 1.346 64 residues pruned to eliminate duplicates Z: 14 8.767 1.866 0.331 0.406 0.846 0.615 CA 1.278 14 residues pruned to eliminate duplicates Z: 20 13.960 2.005 0.413 0.470 0.842 0.579 CB 1.384 20 residues pruned to eliminate duplicates Z: 23 10.746 1.886 0.253 0.456 0.864 0.591 CB 1.174 23 residues pruned to eliminate duplicates Z: 64 23.039 2.028 0.397 0.361 0.810 0.444 CB 1.470 64 residues pruned to eliminate duplicates Z: 38 18.022 1.995 0.319 0.434 0.838 0.595 CB 1.439 38 residues pruned to eliminate duplicates Z: 23 11.432 1.934 0.221 0.385 0.773 0.500 CB 1.510 23 residues pruned to eliminate duplicates Z: 40 19.207 1.981 0.310 0.416 0.872 0.462 CB 1.484 40 residues pruned to eliminate duplicates Z: 38 18.128 1.981 0.430 0.425 0.784 0.486 CA 1.452 38 residues pruned to eliminate duplicates Z: 46 23.382 2.001 0.444 0.448 0.844 0.600 CB 1.507 46 residues pruned to eliminate duplicates Z: 47 21.834 2.062 0.463 0.371 0.848 0.543 CB 1.444 47 residues pruned to eliminate duplicates Z: 27 21.902 2.064 0.461 0.527 0.923 0.577 CB 1.502 27 residues pruned to eliminate duplicates Z: 31 14.589 1.969 0.310 0.391 0.800 0.567 CA 1.449 31 residues pruned to eliminate duplicates Z: 46 20.801 2.030 0.419 0.365 0.844 0.533 CA 1.474 46 residues pruned to eliminate duplicates Z: 8 4.743 1.939 0.644 0.304 0.857 0.429 CB 0.816 8 residues pruned to eliminate duplicates Z: 6 5.966 2.056 0.900 0.399 0.800 0.400 CB 0.950 6 residues pruned to eliminate duplicates Z: 43 21.942 2.036 0.508 0.398 0.833 0.571 CB 1.474 43 residues pruned to eliminate duplicates Z: 64 23.173 2.034 0.412 0.358 0.841 0.587 CB 1.409 64 residues pruned to eliminate duplicates Z: 39 21.320 2.002 0.409 0.392 0.921 0.579 CB 1.493 39 residues pruned to eliminate duplicates Z: 52 21.744 1.983 0.363 0.374 0.843 0.627 CB 1.529 52 residues pruned to eliminate duplicates Z: 20 14.044 1.997 0.472 0.429 0.789 0.579 CB 1.495 20 residues pruned to eliminate duplicates Z: 18 14.721 2.016 0.352 0.445 0.882 0.647 CB 1.571 18 residues pruned to eliminate duplicates Z: 15 16.774 2.137 0.254 0.509 1.000 0.786 CB 1.658 15 residues pruned to eliminate duplicates Z: 28 13.614 1.902 0.510 0.339 0.778 0.519 CB 1.397 28 residues pruned to eliminate duplicates Z: 33 17.845 2.044 0.316 0.406 0.844 0.531 CB 1.533 33 residues pruned to eliminate duplicates Z: 27 15.031 1.975 0.465 0.400 0.769 0.577 CB 1.470 27 residues pruned to eliminate duplicates Z: 56 25.040 1.959 0.488 0.409 0.873 0.636 CB 1.460 56 residues pruned to eliminate duplicates Z: 27 14.848 1.974 0.611 0.354 0.808 0.615 CB 1.328 27 residues pruned to eliminate duplicates Z: 19 13.012 1.894 0.570 0.384 0.778 0.611 CB 1.500 19 residues pruned to eliminate duplicates Z: 70 21.137 2.008 0.407 0.354 0.768 0.580 CB 1.372 60 residues pruned to eliminate duplicates Z: 6 2.251 1.548 0.111 0.387 1.000 0.400 CB 0.660 6 residues pruned to eliminate duplicates Z: 11 11.797 2.044 0.477 0.398 0.900 0.500 CB 1.529 11 residues pruned to eliminate duplicates Z: 36 20.080 2.033 0.479 0.425 0.857 0.543 CB 1.424 36 residues pruned to eliminate duplicates Z: 12 10.476 2.052 0.446 0.359 0.818 0.545 CB 1.514 12 residues pruned to eliminate duplicates Z: 15 8.514 2.065 0.444 0.284 0.714 0.571 CB 1.362 15 residues pruned to eliminate duplicates Z: 12 11.933 1.871 0.644 0.408 0.909 0.545 CB 1.418 12 residues pruned to eliminate duplicates Z: 12 10.686 1.843 0.671 0.376 0.818 0.455 CB 1.460 12 residues pruned to eliminate duplicates Z: 28 17.075 1.995 0.516 0.395 0.889 0.556 CB 1.366 28 residues pruned to eliminate duplicates Z: 16 11.368 1.925 0.595 0.475 0.800 0.600 CB 1.226 16 residues pruned to eliminate duplicates 6 1.263 1.564 0.562 0.287 0.600 0.400 CA 0.490 ? Z: 79 47.830 2.145 0.806 0.534 0.923 0.603 CB 1.464 79 residues pruned to eliminate duplicates Z: 71 41.434 2.072 0.646 0.590 0.900 0.657 CB 1.480 71 residues pruned to eliminate duplicates Z: 42 37.936 2.161 0.725 0.633 0.951 0.732 CA 1.474 42 residues pruned to eliminate duplicates Z: 149 54.008 2.089 0.675 0.468 0.878 0.554 CB 1.493 149 residues pruned to eliminate duplicates Z: 73 50.409 2.167 0.674 0.615 0.958 0.708 CB 1.532 73 residues pruned to eliminate duplicates Z: 82 48.932 2.131 0.716 0.565 0.938 0.716 CB 1.488 82 residues pruned to eliminate duplicates Z: 137 47.191 2.091 0.545 0.464 0.868 0.625 CB 1.498 137 residues pruned to eliminate duplicates Z: 61 38.831 2.047 0.760 0.560 0.900 0.700 CB 1.460 61 residues pruned to eliminate duplicates Z: 65 46.753 2.137 0.752 0.594 0.953 0.672 CB 1.497 65 residues pruned to eliminate duplicates Z: 74 51.040 2.159 0.719 0.627 0.945 0.726 CB 1.511 74 residues pruned to eliminate duplicates Z: 32 35.718 2.110 0.796 0.712 0.968 0.806 CA 1.443 32 residues pruned to eliminate duplicates Z: 75 48.378 2.166 0.645 0.585 0.946 0.689 CA 1.538 75 residues pruned to eliminate duplicates Z: 32 33.675 2.130 0.694 0.704 0.968 0.774 CA 1.438 32 residues pruned to eliminate duplicates Z: 44 37.365 2.144 0.732 0.667 0.953 0.744 CA 1.378 44 residues pruned to eliminate duplicates Z: 45 38.375 2.121 0.787 0.684 0.955 0.818 CA 1.350 45 residues pruned to eliminate duplicates Z: 38 37.154 2.118 0.794 0.659 0.973 0.784 CA 1.425 38 residues pruned to eliminate duplicates Z: 70 45.578 2.129 0.686 0.576 0.971 0.594 CA 1.463 70 residues pruned to eliminate duplicates Z: 64 43.920 2.149 0.677 0.564 0.952 0.651 CA 1.515 64 residues pruned to eliminate duplicates Z: 54 43.521 2.178 0.689 0.641 0.981 0.642 CA 1.452 54 residues pruned to eliminate duplicates Z: 30 42.993 2.196 0.946 0.767 1.000 0.897 CA 1.475 30 residues pruned to eliminate duplicates Z: 44 45.918 2.156 0.734 0.751 1.000 0.814 CA 1.497 44 residues pruned to eliminate duplicates Z: 69 45.439 2.109 0.610 0.617 0.956 0.691 CB 1.519 69 residues pruned to eliminate duplicates Z: 74 52.006 2.176 0.742 0.610 0.932 0.671 CA 1.554 74 residues pruned to eliminate duplicates Z: 55 40.802 2.133 0.651 0.627 0.963 0.537 CA 1.453 55 residues pruned to eliminate duplicates Z: 36 33.764 2.122 0.744 0.635 0.943 0.714 CB 1.441 36 residues pruned to eliminate duplicates Z: 32 38.410 2.159 0.851 0.714 1.000 0.742 CA 1.422 32 residues pruned to eliminate duplicates Z: 33 33.279 2.173 0.597 0.721 0.906 0.625 CB 1.532 33 residues pruned to eliminate duplicates Z: 66 48.568 2.187 0.740 0.585 0.938 0.646 CA 1.555 66 residues pruned to eliminate duplicates Z: 79 45.298 2.101 0.615 0.597 0.936 0.603 CB 1.472 79 residues pruned to eliminate duplicates Z: 64 48.979 2.199 0.766 0.597 0.937 0.714 CA 1.547 64 residues pruned to eliminate duplicates Z: 71 47.814 2.151 0.654 0.583 0.957 0.600 CB 1.549 71 residues pruned to eliminate duplicates Z: 62 47.988 2.193 0.746 0.603 0.951 0.656 CA 1.530 62 residues pruned to eliminate duplicates Z: 71 47.933 2.162 0.797 0.574 0.914 0.543 CB 1.502 71 residues pruned to eliminate duplicates Z: 73 47.455 2.166 0.678 0.608 0.903 0.625 CB 1.538 73 residues pruned to eliminate duplicates Z: 47 33.428 2.125 0.669 0.511 0.913 0.587 CB 1.505 47 residues pruned to eliminate duplicates Z: 55 40.839 2.129 0.638 0.633 0.963 0.593 CA 1.461 55 residues pruned to eliminate duplicates Z: 45 43.658 2.145 0.861 0.680 0.955 0.614 CA 1.464 45 residues pruned to eliminate duplicates Z: 41 31.161 2.177 0.551 0.548 0.900 0.600 CB 1.547 41 residues pruned to eliminate duplicates Z: 16 17.786 2.042 0.374 0.608 0.933 0.467 CA 1.582 16 residues pruned to eliminate duplicates Z: 20 19.188 2.081 0.528 0.582 0.895 0.632 CB 1.430 20 residues pruned to eliminate duplicates Z: 72 45.044 2.154 0.689 0.583 0.930 0.563 CB 1.459 72 residues pruned to eliminate duplicates Z: 30 33.291 2.247 0.841 0.551 1.000 0.586 CB 1.422 30 residues pruned to eliminate duplicates Z: 59 42.992 2.167 0.664 0.589 0.966 0.586 CB 1.489 59 residues pruned to eliminate duplicates Z: 66 51.793 2.210 0.810 0.603 0.938 0.554 CB 1.551 66 residues pruned to eliminate duplicates Z: 82 50.295 2.144 0.657 0.590 0.951 0.556 CB 1.518 82 residues pruned to eliminate duplicates Z: 14 8.150 1.945 0.610 0.210 0.923 0.308 CB 1.101 14 residues pruned to eliminate duplicates Z: 28 20.672 2.113 0.660 0.359 0.926 0.407 CB 1.427 28 residues pruned to eliminate duplicates Z: 35 27.308 2.163 0.621 0.502 0.912 0.588 CB 1.463 35 residues pruned to eliminate duplicates Z: 21 19.588 2.132 0.892 0.377 0.850 0.450 CB 1.457 21 residues pruned to eliminate duplicates Z: 73 50.137 2.171 0.676 0.623 0.944 0.569 CB 1.531 73 residues pruned to eliminate duplicates Z: 53 33.962 2.099 0.748 0.497 0.904 0.365 CB 1.425 53 residues pruned to eliminate duplicates Z: 32 26.495 2.132 0.711 0.503 0.968 0.484 CB 1.344 32 residues pruned to eliminate duplicates Z: 39 25.741 2.017 0.739 0.408 0.921 0.500 CB 1.423 39 residues pruned to eliminate duplicates Z: 21 19.244 2.133 0.726 0.371 0.850 0.400 CB 1.578 21 residues pruned to eliminate duplicates Z: 30 29.471 2.192 0.774 0.499 0.897 0.655 CB 1.571 30 residues pruned to eliminate duplicates Z: 75 53.971 2.166 0.775 0.626 0.959 0.649 CB 1.510 75 residues pruned to eliminate duplicates Z: 6 5.192 1.777 0.541 0.376 0.800 0.400 N 1.210 6 residues pruned to eliminate duplicates Z: 28 27.068 2.231 0.792 0.464 0.889 0.444 CB 1.521 28 residues pruned to eliminate duplicates Z: 74 49.506 2.167 0.651 0.617 0.959 0.589 CA 1.512 74 residues pruned to eliminate duplicates Z: 36 21.994 2.146 0.629 0.465 0.800 0.400 CB 1.376 36 residues pruned to eliminate duplicates Z: 15 13.956 1.961 0.503 0.557 0.857 0.429 CA 1.397 15 residues pruned to eliminate duplicates Z: 31 28.204 2.125 0.808 0.482 0.933 0.567 CB 1.463 31 residues pruned to eliminate duplicates Z: 35 19.393 2.030 0.713 0.403 0.765 0.500 CB 1.385 35 residues pruned to eliminate duplicates Z: 31 25.308 2.157 0.830 0.468 0.900 0.467 CB 1.344 31 residues pruned to eliminate duplicates Z: 44 34.775 2.106 0.807 0.545 0.953 0.488 CB 1.398 44 residues pruned to eliminate duplicates Z: 74 53.716 2.138 0.839 0.602 0.959 0.507 CB 1.513 74 residues pruned to eliminate duplicates Z: 14 24.777 2.074 0.866 0.668 1.000 0.538 CA 1.520 14 residues pruned to eliminate duplicates Z: 21 24.183 2.148 0.834 0.534 0.850 0.700 CB 1.561 21 residues pruned to eliminate duplicates Z: 22 15.637 1.982 0.756 0.471 0.905 0.476 CB 1.117 22 residues pruned to eliminate duplicates Z: 30 26.013 2.175 0.940 0.441 0.862 0.517 CB 1.411 30 residues pruned to eliminate duplicates Z: 12 15.778 2.022 0.614 0.463 1.000 0.545 CA 1.513 10 residues pruned to eliminate duplicates Z: 12 16.379 2.029 0.653 0.493 1.000 0.545 CB 1.483 15 residues pruned to eliminate duplicates Z: 7 6.543 1.758 0.739 0.310 0.833 0.333 CA 1.295 7 residues pruned to eliminate duplicates Z: 11 13.793 2.020 0.836 0.512 0.800 0.500 CB 1.453 11 residues pruned to eliminate duplicates Z: 10 14.688 2.150 0.673 0.589 0.889 0.556 CB 1.406 11 residues pruned to eliminate duplicates Z: 6 2.059 1.494 0.016 0.283 1.000 0.400 CB 0.774 6 residues pruned to eliminate duplicates Z: 12 15.669 2.006 0.742 0.499 0.909 0.455 CB 1.487 12 residues pruned to eliminate duplicates Z: 13 13.611 2.045 0.677 0.465 0.833 0.583 CB 1.426 11 residues pruned to eliminate duplicates Z: 10 19.781 1.891 0.872 0.826 1.000 0.222 CB 1.404 10 residues pruned to eliminate duplicates Z: 64 39.035 2.005 0.708 0.547 0.952 0.651 CA 1.440 103 residues pruned to eliminate duplicates Z: 12 17.125 1.957 0.730 0.660 0.909 0.455 CA 1.447 12 residues pruned to eliminate duplicates Z: 34 21.316 2.028 0.769 0.384 0.879 0.545 CA 1.331 34 residues pruned to eliminate duplicates Z: 34 25.344 1.974 0.900 0.465 0.848 0.455 CA 1.436 34 residues pruned to eliminate duplicates Z: 63 37.516 2.038 0.643 0.563 0.952 0.677 CA 1.407 63 residues pruned to eliminate duplicates Z: 9 6.502 2.067 0.331 0.251 0.875 0.375 CA 1.271 9 residues pruned to eliminate duplicates Z: 20 15.364 2.017 0.768 0.307 0.895 0.632 CA 1.369 20 residues pruned to eliminate duplicates Z: 51 32.859 2.084 0.543 0.521 0.960 0.720 CA 1.475 51 residues pruned to eliminate duplicates Z: 31 21.414 2.045 0.641 0.422 0.867 0.533 CA 1.458 31 residues pruned to eliminate duplicates Z: 16 16.291 2.046 0.860 0.351 0.867 0.467 CA 1.498 16 residues pruned to eliminate duplicates Z: 53 31.163 2.013 0.588 0.502 0.942 0.712 CA 1.431 52 residues pruned to eliminate duplicates Z: 7 3.206 1.449 0.567 0.409 0.833 0.500 CA 0.761 7 residues pruned to eliminate duplicates Z: 35 29.306 2.003 0.559 0.633 0.971 0.794 CA 1.463 35 residues pruned to eliminate duplicates Z: 48 30.856 1.957 0.629 0.632 0.915 0.681 CB 1.362 21 residues pruned to eliminate duplicates Z: 24 21.851 1.961 0.221 0.807 1.000 0.826 CA 1.457 24 residues pruned to eliminate duplicates Z: 37 26.797 1.963 0.570 0.593 0.944 0.722 CA 1.404 37 residues pruned to eliminate duplicates Z: 23 21.724 2.042 0.556 0.577 0.909 0.773 CA 1.489 23 residues pruned to eliminate duplicates Z: 52 30.782 2.018 0.594 0.492 0.941 0.667 CA 1.435 52 residues pruned to eliminate duplicates Z: 34 32.557 2.040 0.596 0.680 0.970 0.848 CB 1.521 36 residues pruned to eliminate duplicates Z: 21 29.894 1.966 0.642 0.881 1.000 0.800 CB 1.500 21 residues pruned to eliminate duplicates Z: 37 30.724 2.001 0.627 0.623 0.944 0.833 CA 1.483 27 residues pruned to eliminate duplicates Z: 22 25.791 1.945 0.377 0.904 1.000 0.905 CB 1.496 22 residues pruned to eliminate duplicates Z: 65 42.251 2.024 0.699 0.572 0.922 0.672 CA 1.554 65 residues pruned to eliminate duplicates Z: 35 28.722 2.032 0.591 0.618 0.941 0.794 CA 1.448 35 residues pruned to eliminate duplicates Z: 25 33.322 2.158 0.711 0.694 0.958 0.750 CB 1.610 25 residues pruned to eliminate duplicates Z: 36 33.242 2.038 0.707 0.640 0.971 0.857 CA 1.459 36 residues pruned to eliminate duplicates Z: 36 31.799 2.021 0.612 0.633 0.943 0.657 CA 1.545 36 residues pruned to eliminate duplicates Z: 21 32.111 2.034 0.747 0.890 0.950 0.750 CB 1.531 21 residues pruned to eliminate duplicates Z: 48 35.933 2.045 0.813 0.537 0.915 0.681 CA 1.490 48 residues pruned to eliminate duplicates Z: 51 34.527 2.027 0.701 0.544 0.920 0.560 CB 1.474 42 residues pruned to eliminate duplicates Z: 22 31.151 1.988 0.630 0.887 1.000 0.714 CB 1.513 22 residues pruned to eliminate duplicates Z: 36 33.468 2.032 0.711 0.635 0.943 0.629 CB 1.521 36 residues pruned to eliminate duplicates Z: 44 31.692 1.970 0.607 0.657 0.930 0.721 CB 1.419 44 residues pruned to eliminate duplicates Z: 36 32.464 2.018 0.817 0.619 0.943 0.629 CB 1.418 36 residues pruned to eliminate duplicates Z: 37 32.080 2.006 0.728 0.627 0.944 0.583 CB 1.449 37 residues pruned to eliminate duplicates Z: 36 31.922 2.012 0.805 0.615 0.943 0.657 CB 1.413 36 residues pruned to eliminate duplicates Z: 35 34.253 2.009 0.772 0.676 1.000 0.735 CB 1.403 35 residues pruned to eliminate duplicates Z: 43 27.141 1.937 0.662 0.580 0.905 0.667 CB 1.331 43 residues pruned to eliminate duplicates Z: 51 40.907 1.970 0.803 0.661 0.940 0.720 CB 1.492 51 residues pruned to eliminate duplicates Z: 62 34.067 1.967 0.612 0.525 0.918 0.574 CA 1.461 62 residues pruned to eliminate duplicates Z: 66 44.221 2.006 0.716 0.604 0.969 0.538 CB 1.490 66 residues pruned to eliminate duplicates Z: 12 17.640 1.841 0.670 0.826 1.000 0.636 CA 1.305 12 residues pruned to eliminate duplicates Z: 51 33.602 1.948 0.659 0.641 0.900 0.640 CB 1.433 51 residues pruned to eliminate duplicates Z: 64 37.128 2.004 0.658 0.533 0.937 0.635 CA 1.454 64 residues pruned to eliminate duplicates Z: 13 14.702 1.948 0.527 0.451 1.000 0.750 CB 1.500 11 residues pruned to eliminate duplicates Z: 6 7.856 1.713 0.985 0.392 1.000 0.600 CA 1.159 6 residues pruned to eliminate duplicates Z: 11 15.091 2.044 0.534 0.528 1.000 0.800 CB 1.480 13 residues pruned to eliminate duplicates Z: 6 5.483 1.678 1.026 0.421 1.000 0.600 CB 0.784 6 residues pruned to eliminate duplicates Z: 6 4.162 1.434 0.684 0.304 1.000 0.400 CB 0.958 6 residues pruned to eliminate duplicates Z: 31 22.079 1.966 0.735 0.396 0.867 0.533 CA 1.523 26 residues pruned to eliminate duplicates 6 1.949 1.372 0.788 0.339 0.600 0.400 CA 0.706 ? Z: 6 4.384 1.588 1.174 0.316 0.600 0.600 N 1.160 6 residues pruned to eliminate duplicates Z: 18 11.820 1.927 0.692 0.344 0.765 0.412 CB 1.362 18 residues pruned to eliminate duplicates Z: 11 9.744 2.028 0.424 0.354 0.900 0.400 CB 1.389 11 residues pruned to eliminate duplicates Z: 19 13.421 2.006 0.699 0.319 0.833 0.500 CA 1.360 19 residues pruned to eliminate duplicates Z: 12 8.515 2.036 0.654 0.244 0.636 0.364 CA 1.610 12 residues pruned to eliminate duplicates Z: 10 6.070 2.071 0.489 0.176 0.778 0.222 CA 1.248 10 residues pruned to eliminate duplicates Z: 12 7.872 1.779 0.586 0.324 0.818 0.273 CB 1.249 12 residues pruned to eliminate duplicates Z: 31 14.331 1.755 0.358 0.463 0.900 0.467 CB 1.266 31 residues pruned to eliminate duplicates Z: 16 9.755 1.655 0.279 0.435 1.000 0.333 CA 1.274 16 residues pruned to eliminate duplicates Z: 33 15.654 1.773 0.524 0.472 0.781 0.562 CB 1.348 33 residues pruned to eliminate duplicates Z: 22 10.239 1.770 0.465 0.357 0.857 0.381 CB 1.173 22 residues pruned to eliminate duplicates Z: 15 8.776 1.750 0.305 0.375 1.000 0.286 CA 1.173 15 residues pruned to eliminate duplicates Z: 33 14.030 1.751 0.222 0.478 0.906 0.594 CA 1.307 32 residues pruned to eliminate duplicates Z: 30 14.319 1.806 0.308 0.455 0.862 0.552 CB 1.366 30 residues pruned to eliminate duplicates Z: 19 8.096 1.767 0.217 0.389 0.833 0.500 CB 1.197 19 residues pruned to eliminate duplicates Z: 31 14.518 1.810 0.489 0.439 0.833 0.667 CB 1.256 31 residues pruned to eliminate duplicates Z: 20 10.975 1.771 0.454 0.474 0.895 0.526 CB 1.122 20 residues pruned to eliminate duplicates Z: 17 11.425 1.722 0.671 0.456 0.875 0.438 CB 1.187 17 residues pruned to eliminate duplicates Z: 33 12.935 1.740 0.329 0.406 0.812 0.562 CB 1.344 33 residues pruned to eliminate duplicates Z: 32 17.637 1.800 0.611 0.437 0.903 0.645 CB 1.290 32 residues pruned to eliminate duplicates Z: 30 17.221 1.819 0.487 0.463 0.897 0.690 CB 1.371 31 residues pruned to eliminate duplicates Z: 17 9.948 1.776 0.376 0.443 0.812 0.688 CA 1.328 17 residues pruned to eliminate duplicates Z: 29 17.046 1.821 0.419 0.472 0.929 0.643 CB 1.382 29 residues pruned to eliminate duplicates Z: 31 15.044 1.771 0.397 0.424 0.867 0.633 CB 1.386 31 residues pruned to eliminate duplicates Z: 18 12.378 1.799 0.493 0.492 0.824 0.647 CA 1.369 18 residues pruned to eliminate duplicates Z: 31 15.071 1.792 0.430 0.420 0.867 0.600 CB 1.346 31 residues pruned to eliminate duplicates Z: 11 9.099 1.855 0.309 0.517 0.800 0.600 CA 1.456 11 residues pruned to eliminate duplicates Z: 17 9.631 1.748 0.348 0.446 0.812 0.625 CA 1.330 17 residues pruned to eliminate duplicates Z: 12 7.863 1.817 0.450 0.446 0.727 0.636 CA 1.308 12 residues pruned to eliminate duplicates Z: 19 7.975 1.730 0.360 0.411 0.778 0.556 CB 1.128 19 residues pruned to eliminate duplicates Z: 32 16.914 1.807 0.486 0.474 0.903 0.581 CB 1.287 31 residues pruned to eliminate duplicates Z: 32 13.809 1.819 0.403 0.437 0.839 0.613 CB 1.236 32 residues pruned to eliminate duplicates Z: 12 8.185 1.808 0.276 0.472 0.818 0.636 CA 1.344 12 residues pruned to eliminate duplicates Z: 29 15.217 1.817 0.361 0.447 0.893 0.571 CB 1.376 29 residues pruned to eliminate duplicates 692 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 8 D: 10 E: 26 F: 18 G: 10 H: 49 I: 34 J: 98 K: 142 L: 146 M: 63 N: 28 O: 16 P: 27 CC for partial structure against native data = 25.75 % ------------------------------------------------------------------------------ Global autotracing cycle 13 = 0.300, Contrast = 0.389, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.447, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.559, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.560, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6571 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1271 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 15.525 1.997 0.609 0.349 0.826 0.565 CB 1.437 B: 20 21.820 2.041 0.403 0.888 0.947 0.737 CB 1.330 C: 7 10.958 1.858 0.424 0.856 0.833 0.667 CA 1.496 D: 10 8.713 1.597 0.273 0.836 1.000 0.778 CA 1.070 8 residues pruned to eliminate duplicates E: 18 12.319 1.983 0.412 0.423 0.824 0.529 CA 1.405 F: 21 23.813 1.957 0.611 0.889 0.950 0.550 CB 1.280 20 residues pruned to eliminate duplicates G: 8 18.117 2.257 0.276 0.886 1.000 0.857 CB 1.715 H: 22 29.971 1.950 0.680 0.868 1.000 0.714 CB 1.460 9 residues pruned to eliminate duplicates I: 14 22.456 2.243 0.442 0.919 1.000 0.615 CB 1.356 14 residues pruned to eliminate duplicates J: 10 18.598 2.075 0.480 0.915 1.000 0.778 CB 1.428 K: 23 26.622 1.950 0.532 0.872 0.955 0.545 CA 1.451 L: 22 36.879 2.161 0.848 0.929 0.905 0.667 CB 1.559 M: 22 19.347 2.168 0.463 0.529 0.857 0.571 CB 1.510 N: 12 22.457 1.936 0.701 0.810 1.000 0.636 CA 1.569 12 residues pruned to eliminate duplicates O: 19 23.275 2.062 0.269 0.841 0.944 0.667 CA 1.655 19 residues pruned to eliminate duplicates P: 7 8.945 1.880 0.412 0.688 0.833 0.500 CA 1.390 7 residues pruned to eliminate duplicates Q: 27 22.371 2.150 0.760 0.341 0.923 0.423 CB 1.493 8 residues pruned to eliminate duplicates R: 17 15.449 2.087 0.447 0.433 0.875 0.562 CB 1.567 17 residues pruned to eliminate duplicates S: 9 8.122 1.868 0.334 0.518 1.000 0.875 CA 1.133 T: 16 25.375 2.106 0.602 0.898 0.933 0.600 CA 1.489 16 residues pruned to eliminate duplicates U: 21 38.495 2.193 0.803 0.900 1.000 0.900 CB 1.555 22 residues pruned to eliminate duplicates V: 11 6.491 1.884 0.126 0.473 0.800 0.500 CB 1.243 W: 8 5.466 1.452 0.660 0.452 0.714 0.714 CA 1.260 8 residues pruned to eliminate duplicates X: 11 9.926 1.808 0.668 0.515 1.000 0.900 CB 1.025 Y: 19 29.995 2.100 0.465 0.927 1.000 0.778 CA 1.610 21 residues pruned to eliminate duplicates Z: 13 20.342 2.017 0.740 0.862 1.000 0.583 CB 1.229 Z: 18 31.633 2.194 0.755 0.853 0.941 0.588 CB 1.565 18 residues pruned to eliminate duplicates Z: 13 8.619 2.022 0.269 0.425 0.750 0.667 CB 1.397 Z: 21 39.671 2.241 0.892 0.887 1.000 0.750 CB 1.509 21 residues pruned to eliminate duplicates Z: 73 47.166 2.125 0.665 0.611 0.931 0.569 CB 1.520 34 residues pruned to eliminate duplicates Z: 46 25.292 2.031 0.463 0.506 0.889 0.578 CB 1.418 10 residues pruned to eliminate duplicates Z: 10 9.400 2.019 0.393 0.842 0.778 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 64 35.381 2.022 0.507 0.579 0.937 0.413 CA 1.448 68 residues pruned to eliminate duplicates Z: 12 19.648 1.945 0.861 0.881 1.000 0.636 CA 1.185 12 residues pruned to eliminate duplicates Z: 18 17.105 2.090 0.249 0.845 0.882 0.647 CB 1.339 18 residues pruned to eliminate duplicates Z: 20 40.756 2.222 0.967 0.897 0.947 0.632 CB 1.617 20 residues pruned to eliminate duplicates Z: 9 10.059 1.692 0.391 0.891 1.000 0.750 CB 1.087 9 residues pruned to eliminate duplicates Z: 12 8.340 1.862 0.655 0.383 0.727 0.364 CB 1.271 5 residues pruned to eliminate duplicates Z: 16 8.033 1.967 0.164 0.486 0.800 0.467 CB 1.149 Z: 39 19.421 1.925 0.638 0.354 0.895 0.500 CB 1.307 39 residues pruned to eliminate duplicates Z: 72 53.861 2.193 0.714 0.614 0.972 0.577 CB 1.571 73 residues pruned to eliminate duplicates Z: 8 9.114 2.022 0.618 0.408 0.857 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 33 21.527 2.083 0.415 0.465 0.906 0.562 CB 1.476 22 residues pruned to eliminate duplicates Z: 34 23.592 2.119 0.537 0.477 0.939 0.545 CB 1.374 27 residues pruned to eliminate duplicates Z: 11 18.379 2.090 0.511 0.887 0.900 0.800 CB 1.473 11 residues pruned to eliminate duplicates Z: 19 14.070 2.110 0.449 0.484 0.778 0.556 CB 1.417 19 residues pruned to eliminate duplicates Z: 19 26.279 2.082 0.431 0.905 0.944 0.778 CA 1.568 19 residues pruned to eliminate duplicates Z: 22 21.969 2.154 0.465 0.580 0.952 0.619 CB 1.477 21 residues pruned to eliminate duplicates Z: 74 51.379 2.154 0.738 0.615 0.945 0.534 CA 1.524 74 residues pruned to eliminate duplicates Z: 11 13.791 1.976 0.604 0.919 0.900 0.800 CA 1.078 11 residues pruned to eliminate duplicates Z: 22 34.385 2.194 0.565 0.921 1.000 0.810 CB 1.538 22 residues pruned to eliminate duplicates Z: 8 7.863 1.663 0.182 0.631 1.000 0.429 CB 1.336 Z: 34 23.918 2.095 0.499 0.503 0.909 0.576 CB 1.454 34 residues pruned to eliminate duplicates Z: 36 20.591 2.018 0.475 0.457 0.886 0.629 CB 1.379 36 residues pruned to eliminate duplicates Z: 16 8.910 2.022 0.293 0.445 0.733 0.400 CB 1.270 15 residues pruned to eliminate duplicates Z: 27 32.739 2.099 0.621 0.772 1.000 0.885 CA 1.484 17 residues pruned to eliminate duplicates Z: 12 21.789 2.052 0.781 0.878 1.000 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 10 6.959 1.773 0.033 0.826 0.889 0.556 CA 1.075 10 residues pruned to eliminate duplicates Z: 35 22.286 2.002 0.506 0.433 0.912 0.588 CB 1.491 32 residues pruned to eliminate duplicates Z: 17 13.848 1.997 0.492 0.449 0.875 0.688 CB 1.400 17 residues pruned to eliminate duplicates Z: 55 37.352 2.031 0.731 0.513 0.944 0.611 CA 1.511 35 residues pruned to eliminate duplicates Z: 23 15.206 2.067 0.344 0.522 0.864 0.636 CB 1.322 23 residues pruned to eliminate duplicates Z: 52 32.786 2.001 0.560 0.631 0.902 0.569 CA 1.442 52 residues pruned to eliminate duplicates Z: 21 38.569 2.216 0.866 0.945 1.000 0.650 CB 1.444 21 residues pruned to eliminate duplicates Z: 10 10.430 1.727 0.528 0.761 0.889 0.667 CA 1.176 10 residues pruned to eliminate duplicates Z: 11 8.278 1.692 0.418 0.440 0.900 0.400 CA 1.289 Z: 95 52.690 2.166 0.683 0.563 0.915 0.649 CB 1.533 95 residues pruned to eliminate duplicates Z: 16 19.733 1.910 0.506 0.813 1.000 0.867 CB 1.350 6 residues pruned to eliminate duplicates Z: 10 14.945 1.836 0.483 0.902 1.000 0.556 CB 1.306 10 residues pruned to eliminate duplicates Z: 13 18.746 2.000 0.571 0.884 1.000 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 23 31.647 1.947 0.663 0.878 1.000 0.636 CA 1.512 23 residues pruned to eliminate duplicates Z: 13 16.116 2.077 0.575 0.584 0.833 0.667 CB 1.575 13 residues pruned to eliminate duplicates Z: 8 15.550 2.036 0.455 0.660 1.000 0.429 CB 1.710 Z: 63 40.990 2.043 0.693 0.563 0.952 0.677 CA 1.487 60 residues pruned to eliminate duplicates Z: 13 11.848 1.944 0.904 0.460 0.833 0.667 CB 1.155 11 residues pruned to eliminate duplicates Z: 24 20.257 1.994 0.576 0.498 1.000 0.522 CB 1.346 9 residues pruned to eliminate duplicates Z: 10 16.860 1.860 0.526 0.873 1.000 0.556 CA 1.442 10 residues pruned to eliminate duplicates Z: 18 10.199 1.908 0.366 0.410 0.882 0.529 CB 1.182 Z: 66 48.905 2.191 0.718 0.575 0.954 0.538 CB 1.572 66 residues pruned to eliminate duplicates Z: 20 21.826 1.900 0.554 0.874 0.895 0.474 CA 1.379 20 residues pruned to eliminate duplicates Z: 77 36.878 2.039 0.477 0.561 0.895 0.579 CA 1.479 65 residues pruned to eliminate duplicates Z: 10 13.992 1.751 0.550 0.870 1.000 0.778 CA 1.254 10 residues pruned to eliminate duplicates Z: 34 27.810 2.143 0.661 0.443 0.970 0.545 CB 1.488 34 residues pruned to eliminate duplicates Z: 10 11.331 1.990 0.450 0.604 0.889 0.556 CB 1.333 Z: 30 15.648 1.962 0.252 0.459 0.931 0.690 CB 1.325 Z: 27 17.667 2.041 0.599 0.280 0.962 0.423 CA 1.416 27 residues pruned to eliminate duplicates Z: 32 24.777 2.103 0.708 0.429 0.903 0.516 CB 1.477 32 residues pruned to eliminate duplicates Z: 11 8.715 2.024 0.337 0.392 0.800 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 6 5.464 1.519 0.534 0.631 1.000 0.400 CB 0.927 6 residues pruned to eliminate duplicates Z: 21 34.992 2.233 0.648 0.916 1.000 0.800 CB 1.502 21 residues pruned to eliminate duplicates Z: 18 11.964 1.953 0.416 0.394 0.882 0.588 CB 1.331 18 residues pruned to eliminate duplicates Z: 33 14.142 1.981 0.314 0.339 0.844 0.500 CB 1.356 18 residues pruned to eliminate duplicates Z: 18 29.373 2.110 0.566 0.909 0.941 0.765 CA 1.626 18 residues pruned to eliminate duplicates Z: 13 7.372 1.910 0.168 0.346 0.833 0.417 CB 1.353 13 residues pruned to eliminate duplicates Z: 16 7.102 1.825 0.110 0.303 0.867 0.600 CB 1.300 16 residues pruned to eliminate duplicates Z: 9 4.636 1.758 -0.003 0.591 0.750 0.375 CB 1.144 9 residues pruned to eliminate duplicates Z: 20 10.279 1.999 0.605 0.368 0.632 0.474 CB 1.342 9 residues pruned to eliminate duplicates Z: 34 24.101 2.129 0.499 0.488 0.939 0.576 CB 1.417 34 residues pruned to eliminate duplicates Z: 33 15.110 1.898 0.238 0.421 1.000 0.625 CB 1.235 30 residues pruned to eliminate duplicates Z: 23 15.783 1.946 0.685 0.319 0.864 0.500 CA 1.451 23 residues pruned to eliminate duplicates Z: 11 9.332 1.788 0.647 0.397 0.800 0.600 CA 1.397 Z: 21 37.869 2.107 0.772 0.933 1.000 0.700 CB 1.583 24 residues pruned to eliminate duplicates Z: 15 16.885 1.931 0.353 0.864 1.000 0.714 CA 1.266 15 residues pruned to eliminate duplicates Z: 26 15.192 1.884 0.487 0.500 0.840 0.480 CB 1.291 26 residues pruned to eliminate duplicates Z: 20 42.410 2.261 0.889 0.934 1.000 0.579 CB 1.589 20 residues pruned to eliminate duplicates Z: 15 7.249 2.030 0.307 0.411 0.643 0.500 CB 1.248 17 residues pruned to eliminate duplicates Z: 20 24.698 2.013 0.457 0.889 0.947 0.789 CA 1.468 20 residues pruned to eliminate duplicates Z: 38 18.403 1.860 0.457 0.404 0.865 0.486 CB 1.427 30 residues pruned to eliminate duplicates Z: 22 33.294 2.023 0.562 0.925 1.000 0.857 CB 1.613 22 residues pruned to eliminate duplicates Z: 40 16.351 1.950 0.299 0.374 0.872 0.410 CB 1.356 Z: 12 12.565 1.885 0.791 0.439 0.818 0.727 CB 1.460 13 residues pruned to eliminate duplicates Z: 10 14.605 1.728 0.566 0.851 1.000 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 26 16.828 1.923 0.507 0.443 0.920 0.440 CB 1.339 11 residues pruned to eliminate duplicates Z: 34 26.271 2.080 0.496 0.519 0.970 0.576 CB 1.488 34 residues pruned to eliminate duplicates Z: 20 19.507 2.009 0.406 0.846 0.895 0.789 CB 1.316 20 residues pruned to eliminate duplicates Z: 22 26.434 1.964 0.483 0.910 0.952 0.857 CB 1.475 22 residues pruned to eliminate duplicates Z: 16 18.362 2.121 0.399 0.541 1.000 0.800 CB 1.535 16 residues pruned to eliminate duplicates Z: 21 29.172 2.112 0.745 0.892 0.950 0.550 CB 1.339 21 residues pruned to eliminate duplicates Z: 32 15.145 1.888 0.325 0.412 0.968 0.613 CB 1.232 32 residues pruned to eliminate duplicates Z: 6 7.252 1.998 0.658 0.385 0.800 0.400 CB 1.383 Z: 11 17.593 1.930 0.784 0.534 1.000 0.800 CB 1.563 11 residues pruned to eliminate duplicates Z: 32 25.708 2.120 0.711 0.445 0.871 0.387 CA 1.546 32 residues pruned to eliminate duplicates Z: 21 36.496 2.237 0.687 0.919 1.000 0.950 CB 1.524 21 residues pruned to eliminate duplicates Z: 6 7.728 1.759 0.129 0.664 1.000 0.800 C 1.495 6 residues pruned to eliminate duplicates Z: 10 9.257 2.003 0.662 0.464 0.667 0.556 CB 1.442 10 residues pruned to eliminate duplicates Z: 11 15.761 2.048 0.598 0.879 0.900 0.800 CA 1.227 11 residues pruned to eliminate duplicates Z: 13 17.037 2.011 0.635 0.779 0.917 0.667 CB 1.276 13 residues pruned to eliminate duplicates Z: 9 8.131 1.641 0.586 0.654 0.750 0.750 CB 1.275 Z: 9 11.455 1.883 0.802 0.393 0.875 0.500 N 1.527 9 residues pruned to eliminate duplicates Z: 9 4.535 1.714 0.489 0.407 0.875 0.625 CB 0.792 Z: 17 14.344 1.971 0.329 0.527 1.000 0.750 CB 1.333 17 residues pruned to eliminate duplicates Z: 21 35.139 2.247 0.734 0.908 0.950 0.750 CB 1.508 21 residues pruned to eliminate duplicates Z: 13 7.106 1.922 0.459 0.394 0.833 0.500 CB 0.982 17 residues pruned to eliminate duplicates Z: 18 13.118 1.850 0.770 0.419 0.882 0.529 CB 1.199 18 residues pruned to eliminate duplicates Z: 10 5.654 1.635 0.358 0.426 0.889 0.556 CB 1.031 10 residues pruned to eliminate duplicates Z: 35 15.164 1.815 0.364 0.430 0.824 0.618 CA 1.372 Z: 21 29.973 1.999 0.633 0.904 1.000 0.700 CB 1.462 21 residues pruned to eliminate duplicates Z: 15 9.311 2.033 0.129 0.434 0.786 0.500 CB 1.477 15 residues pruned to eliminate duplicates Z: 18 16.749 2.044 0.183 0.828 0.941 0.706 CB 1.344 18 residues pruned to eliminate duplicates Z: 19 26.751 2.005 0.536 0.930 1.000 1.000 CA 1.431 19 residues pruned to eliminate duplicates Z: 13 15.686 1.975 0.295 0.835 1.000 0.750 CB 1.326 13 residues pruned to eliminate duplicates Z: 43 27.426 2.024 0.458 0.599 0.881 0.452 CB 1.482 43 residues pruned to eliminate duplicates Z: 34 17.194 1.917 0.811 0.342 0.727 0.455 CB 1.408 34 residues pruned to eliminate duplicates Z: 35 25.243 2.050 0.484 0.511 0.971 0.676 CB 1.450 34 residues pruned to eliminate duplicates Z: 13 19.754 2.136 0.645 0.870 1.000 0.667 CB 1.184 13 residues pruned to eliminate duplicates Z: 19 6.679 1.795 0.058 0.313 0.778 0.556 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 24.358 2.028 0.570 0.891 0.875 0.562 CA 1.571 17 residues pruned to eliminate duplicates Z: 31 17.224 2.063 0.483 0.336 0.833 0.567 CB 1.476 31 residues pruned to eliminate duplicates Z: 29 14.881 1.907 0.358 0.337 0.893 0.464 CB 1.454 27 residues pruned to eliminate duplicates Z: 9 8.463 1.878 0.136 0.453 1.000 0.500 CB 1.473 8 residues pruned to eliminate duplicates Z: 14 9.232 1.684 0.771 0.359 0.769 0.462 CB 1.300 11 residues pruned to eliminate duplicates Z: 12 7.053 1.695 0.490 0.420 0.727 0.636 CB 1.259 Z: 7 3.498 1.965 -0.161 0.332 0.667 0.500 CB 1.563 7 residues pruned to eliminate duplicates Z: 23 16.622 1.998 0.455 0.394 0.909 0.500 CA 1.500 24 residues pruned to eliminate duplicates Z: 7 3.714 1.651 -0.080 0.571 0.833 0.667 CB 1.118 Z: 17 28.411 2.101 0.525 0.904 1.000 0.688 CA 1.579 17 residues pruned to eliminate duplicates Z: 11 15.715 2.071 0.358 0.878 1.000 0.600 CB 1.282 11 residues pruned to eliminate duplicates Z: 16 23.988 2.135 0.406 0.906 1.000 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 21 29.485 2.075 0.566 0.886 1.000 0.550 CB 1.465 21 residues pruned to eliminate duplicates Z: 20 22.222 1.974 0.672 0.893 0.947 0.474 CB 1.170 19 residues pruned to eliminate duplicates Z: 36 15.999 1.949 0.454 0.392 0.829 0.429 CB 1.291 36 residues pruned to eliminate duplicates Z: 12 10.382 2.033 0.298 0.456 0.909 0.727 CB 1.365 10 residues pruned to eliminate duplicates Z: 14 11.866 1.761 0.543 0.763 0.923 0.846 CB 1.039 14 residues pruned to eliminate duplicates Z: 16 12.993 2.031 0.319 0.465 0.867 0.733 CA 1.498 16 residues pruned to eliminate duplicates Z: 15 19.514 1.828 0.723 0.746 1.000 0.643 CB 1.329 15 residues pruned to eliminate duplicates Z: 21 14.934 1.905 0.551 0.437 0.900 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 16 9.684 2.009 0.131 0.428 0.800 0.533 CA 1.482 16 residues pruned to eliminate duplicates Z: 9 12.890 1.788 0.651 0.828 0.875 0.750 CA 1.329 9 residues pruned to eliminate duplicates Z: 7 2.593 1.417 0.300 0.309 0.667 0.500 CB 1.065 7 residues pruned to eliminate duplicates Z: 15 9.953 1.844 0.521 0.370 0.857 0.643 CB 1.271 14 residues pruned to eliminate duplicates Z: 17 25.678 2.187 0.777 0.852 0.875 0.562 CB 1.396 17 residues pruned to eliminate duplicates Z: 34 26.413 2.155 0.572 0.468 0.909 0.576 CB 1.542 34 residues pruned to eliminate duplicates Z: 50 47.351 2.184 0.731 0.678 1.000 0.633 CB 1.519 50 residues pruned to eliminate duplicates Z: 7 4.414 1.589 0.189 0.551 0.833 0.500 CA 1.089 7 residues pruned to eliminate duplicates Z: 31 17.801 1.866 0.435 0.458 0.867 0.633 CB 1.462 34 residues pruned to eliminate duplicates Z: 35 20.004 2.040 0.419 0.462 0.853 0.588 CB 1.444 36 residues pruned to eliminate duplicates Z: 13 8.236 1.598 0.615 0.370 0.917 0.417 CB 1.155 13 residues pruned to eliminate duplicates Z: 16 23.265 2.123 0.368 0.864 0.933 0.600 CA 1.625 16 residues pruned to eliminate duplicates Z: 23 10.628 1.932 0.347 0.323 0.818 0.455 CB 1.293 27 residues pruned to eliminate duplicates Z: 25 18.869 2.087 0.719 0.311 0.917 0.583 CB 1.444 25 residues pruned to eliminate duplicates 7 1.866 1.437 0.706 0.236 0.667 0.333 CB 0.634 ? Z: 24 15.556 2.067 0.603 0.372 0.870 0.609 CB 1.291 24 residues pruned to eliminate duplicates Z: 25 20.895 1.967 0.637 0.546 0.917 0.667 CA 1.381 25 residues pruned to eliminate duplicates Z: 11 3.058 1.570 0.199 0.175 0.800 0.300 CA 0.951 11 residues pruned to eliminate duplicates Z: 20 10.787 1.868 0.250 0.376 0.895 0.579 CA 1.353 Z: 22 29.552 1.958 0.625 0.881 1.000 0.714 CB 1.469 22 residues pruned to eliminate duplicates Z: 32 21.582 2.069 0.476 0.392 0.903 0.452 CB 1.576 32 residues pruned to eliminate duplicates Z: 34 18.041 1.934 0.406 0.393 0.939 0.697 CB 1.377 34 residues pruned to eliminate duplicates Z: 11 7.680 1.803 0.557 0.312 0.800 0.500 CA 1.332 11 residues pruned to eliminate duplicates Z: 29 14.022 1.988 0.461 0.338 0.821 0.429 CB 1.325 27 residues pruned to eliminate duplicates Z: 10 9.311 1.988 0.199 0.719 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 26 12.215 1.799 0.482 0.365 0.800 0.440 CB 1.325 26 residues pruned to eliminate duplicates Z: 23 10.033 1.952 0.150 0.396 0.773 0.545 CB 1.376 23 residues pruned to eliminate duplicates Z: 46 37.877 2.120 0.831 0.522 0.978 0.667 CA 1.455 46 residues pruned to eliminate duplicates Z: 10 4.651 1.686 0.069 0.367 1.000 0.556 CB 0.992 8 residues pruned to eliminate duplicates Z: 22 16.057 1.939 0.588 0.452 0.857 0.619 CB 1.394 22 residues pruned to eliminate duplicates Z: 11 10.793 2.010 0.442 0.357 1.000 0.400 CA 1.374 13 residues pruned to eliminate duplicates Z: 19 21.344 2.040 0.482 0.893 0.944 0.778 CB 1.265 19 residues pruned to eliminate duplicates Z: 6 2.486 1.730 0.159 0.299 0.600 0.400 CA 1.157 6 residues pruned to eliminate duplicates Z: 19 30.846 2.087 0.691 0.911 0.944 0.667 CA 1.546 19 residues pruned to eliminate duplicates Z: 21 13.702 1.862 0.546 0.479 0.850 0.600 CB 1.280 21 residues pruned to eliminate duplicates Z: 32 20.182 1.853 0.562 0.468 0.903 0.645 CB 1.433 32 residues pruned to eliminate duplicates Z: 24 15.609 1.951 0.460 0.454 0.870 0.609 CB 1.378 24 residues pruned to eliminate duplicates Z: 12 4.635 1.696 0.436 0.289 0.727 0.182 CB 1.000 9 residues pruned to eliminate duplicates Z: 7 2.112 1.851 0.231 0.505 0.667 0.333 CB 0.565 7 residues pruned to eliminate duplicates Z: 10 8.963 2.009 0.423 0.440 0.778 0.444 CB 1.429 10 residues pruned to eliminate duplicates Z: 19 9.413 1.708 0.554 0.308 0.889 0.444 CB 1.163 Z: 20 31.422 2.081 0.704 0.868 0.947 0.526 CA 1.569 20 residues pruned to eliminate duplicates Z: 48 19.131 1.976 0.430 0.358 0.851 0.617 CB 1.352 49 residues pruned to eliminate duplicates Z: 10 5.645 1.815 0.094 0.345 0.889 0.333 CA 1.261 10 residues pruned to eliminate duplicates Z: 9 16.780 1.878 0.688 0.802 1.000 0.625 CA 1.438 9 residues pruned to eliminate duplicates Z: 13 11.976 2.067 0.443 0.637 0.917 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 18 13.235 1.850 0.433 0.487 0.882 0.588 CB 1.390 18 residues pruned to eliminate duplicates Z: 41 31.471 2.095 0.704 0.471 0.950 0.650 CA 1.511 41 residues pruned to eliminate duplicates Z: 10 15.320 1.892 0.659 0.656 1.000 0.889 CA 1.408 10 residues pruned to eliminate duplicates Z: 7 12.569 2.070 0.242 0.857 1.000 1.000 CB 1.471 7 residues pruned to eliminate duplicates Z: 34 23.372 1.862 0.604 0.556 0.909 0.545 CB 1.419 34 residues pruned to eliminate duplicates Z: 15 28.231 2.102 0.997 0.926 0.929 0.786 CB 1.357 15 residues pruned to eliminate duplicates Z: 21 8.934 1.943 0.291 0.302 0.800 0.450 CB 1.242 21 residues pruned to eliminate duplicates Z: 9 8.985 1.798 0.139 0.900 0.875 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 22 36.038 2.126 0.725 0.867 1.000 0.667 CB 1.569 22 residues pruned to eliminate duplicates Z: 47 19.628 1.937 0.478 0.382 0.804 0.478 CB 1.424 53 residues pruned to eliminate duplicates Z: 28 16.705 1.897 0.417 0.493 0.815 0.593 CB 1.478 28 residues pruned to eliminate duplicates Z: 9 6.500 1.671 0.400 0.465 0.875 0.500 CA 1.163 9 residues pruned to eliminate duplicates Z: 9 6.854 1.727 0.020 0.689 0.875 0.625 O 1.323 9 residues pruned to eliminate duplicates Z: 10 9.343 1.986 0.425 0.571 0.889 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 31 30.598 2.080 0.551 0.745 0.967 0.800 CA 1.439 31 residues pruned to eliminate duplicates Z: 14 5.961 1.764 0.351 0.323 0.769 0.538 CB 1.095 14 residues pruned to eliminate duplicates Z: 12 11.722 1.755 0.268 0.781 0.909 0.636 CA 1.364 12 residues pruned to eliminate duplicates Z: 41 21.675 1.988 0.421 0.469 0.925 0.625 CB 1.353 42 residues pruned to eliminate duplicates Z: 17 9.101 1.822 0.290 0.345 0.875 0.562 CA 1.309 17 residues pruned to eliminate duplicates Z: 22 41.362 2.139 0.883 0.902 1.000 0.524 CB 1.598 22 residues pruned to eliminate duplicates Z: 24 16.595 1.954 0.580 0.358 0.957 0.435 CB 1.367 24 residues pruned to eliminate duplicates Z: 15 15.663 1.991 0.452 0.531 0.929 0.786 CB 1.513 15 residues pruned to eliminate duplicates Z: 30 15.755 1.825 0.455 0.440 0.897 0.586 CB 1.307 30 residues pruned to eliminate duplicates Z: 15 9.539 1.897 0.467 0.389 0.857 0.429 CB 1.202 15 residues pruned to eliminate duplicates Z: 6 5.692 1.758 0.768 0.476 0.800 0.600 CA 1.049 7 residues pruned to eliminate duplicates Z: 7 5.553 1.562 0.575 0.690 0.833 0.667 CA 0.929 Z: 26 19.636 1.957 0.529 0.519 0.920 0.520 CB 1.401 26 residues pruned to eliminate duplicates Z: 35 16.370 1.973 0.491 0.334 0.824 0.471 CB 1.390 34 residues pruned to eliminate duplicates Z: 16 18.997 2.139 0.399 0.876 1.000 0.467 CB 1.191 16 residues pruned to eliminate duplicates Z: 22 35.493 2.156 0.880 0.898 0.952 0.571 CB 1.435 22 residues pruned to eliminate duplicates Z: 9 4.991 1.942 0.191 0.308 0.625 0.375 CB 1.510 9 residues pruned to eliminate duplicates Z: 6 4.664 1.289 0.280 0.860 1.000 1.000 CB 0.930 6 residues pruned to eliminate duplicates Z: 19 30.612 2.198 0.622 0.883 1.000 0.778 CA 1.464 19 residues pruned to eliminate duplicates Z: 22 18.076 2.152 0.420 0.562 0.905 0.571 CB 1.343 22 residues pruned to eliminate duplicates Z: 15 11.734 1.854 0.464 0.419 0.857 0.357 CB 1.467 15 residues pruned to eliminate duplicates Z: 8 5.880 1.516 0.553 0.608 0.857 0.714 CA 0.995 Z: 32 15.918 1.992 0.425 0.425 0.839 0.581 CB 1.298 32 residues pruned to eliminate duplicates Z: 20 13.530 2.109 0.619 0.260 0.842 0.526 CB 1.422 20 residues pruned to eliminate duplicates Z: 39 17.492 1.934 0.430 0.362 0.842 0.526 CB 1.415 39 residues pruned to eliminate duplicates Z: 23 13.630 1.887 0.458 0.328 0.864 0.409 CB 1.476 23 residues pruned to eliminate duplicates Z: 6 7.924 2.251 0.417 0.687 0.800 0.600 CB 1.169 6 residues pruned to eliminate duplicates Z: 6 5.178 1.626 0.009 0.835 1.000 0.800 CA 1.058 6 residues pruned to eliminate duplicates Z: 13 6.940 1.835 0.538 0.368 0.583 0.500 CA 1.401 13 residues pruned to eliminate duplicates Z: 11 12.866 1.918 0.807 0.624 1.000 0.900 CA 1.045 11 residues pruned to eliminate duplicates Z: 35 21.070 2.029 0.509 0.474 0.912 0.588 CB 1.329 34 residues pruned to eliminate duplicates Z: 12 12.057 2.029 0.011 0.849 1.000 0.818 CB 1.313 12 residues pruned to eliminate duplicates Z: 21 14.358 2.027 0.577 0.378 0.900 0.450 CB 1.271 21 residues pruned to eliminate duplicates Z: 18 9.868 1.764 0.408 0.444 0.765 0.529 CA 1.335 18 residues pruned to eliminate duplicates Z: 10 12.957 2.001 1.040 0.766 0.889 0.778 CB 0.940 10 residues pruned to eliminate duplicates Z: 21 12.087 2.014 0.305 0.317 0.900 0.650 CB 1.399 21 residues pruned to eliminate duplicates Z: 14 9.605 1.928 0.422 0.403 0.846 0.615 CB 1.271 14 residues pruned to eliminate duplicates Z: 6 5.857 1.984 0.583 0.568 0.800 0.800 CB 0.976 6 residues pruned to eliminate duplicates Z: 9 2.262 1.593 0.181 0.186 0.750 0.375 CB 0.826 9 residues pruned to eliminate duplicates Z: 16 10.553 1.794 0.475 0.423 0.800 0.600 N 1.395 16 residues pruned to eliminate duplicates Z: 9 2.788 1.639 0.115 0.463 0.625 0.375 CB 0.895 Z: 29 12.097 1.832 0.333 0.419 0.857 0.536 CB 1.188 29 residues pruned to eliminate duplicates 6 1.918 1.306 0.227 0.318 0.600 0.400 CA 1.090 ? Z: 25 17.843 1.903 0.391 0.549 0.875 0.708 CA 1.499 25 residues pruned to eliminate duplicates Z: 12 16.039 2.126 0.292 0.870 0.909 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 28 25.279 2.014 0.486 0.642 0.963 0.593 CA 1.478 28 residues pruned to eliminate duplicates Z: 19 15.158 1.928 0.421 0.486 0.944 0.611 CA 1.400 19 residues pruned to eliminate duplicates Z: 10 13.015 1.750 0.313 0.911 1.000 1.000 CA 1.338 10 residues pruned to eliminate duplicates Z: 14 12.909 1.675 0.243 0.830 1.000 0.769 CA 1.292 14 residues pruned to eliminate duplicates Z: 14 11.455 1.912 0.707 0.360 0.846 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 65 45.470 2.178 0.736 0.571 0.922 0.578 CB 1.523 65 residues pruned to eliminate duplicates Z: 18 10.413 1.875 0.776 0.255 0.765 0.471 CA 1.313 18 residues pruned to eliminate duplicates Z: 21 20.342 2.101 0.484 0.594 0.850 0.650 CB 1.569 21 residues pruned to eliminate duplicates Z: 8 11.145 1.878 0.218 0.687 1.000 0.714 C 1.551 9 residues pruned to eliminate duplicates Z: 12 12.321 1.901 0.617 0.642 0.909 0.636 CA 1.164 12 residues pruned to eliminate duplicates Z: 7 4.332 1.773 -0.232 0.702 0.833 0.667 CB 1.296 7 residues pruned to eliminate duplicates Z: 48 17.957 1.996 0.423 0.345 0.766 0.532 CB 1.425 48 residues pruned to eliminate duplicates Z: 21 38.584 2.160 0.996 0.906 0.950 0.600 CB 1.498 21 residues pruned to eliminate duplicates Z: 21 39.240 2.191 0.872 0.934 0.950 0.800 CB 1.570 21 residues pruned to eliminate duplicates Z: 32 13.888 1.877 0.359 0.426 0.839 0.548 CB 1.259 32 residues pruned to eliminate duplicates Z: 19 11.152 1.892 0.467 0.325 0.778 0.444 CB 1.475 19 residues pruned to eliminate duplicates Z: 8 5.235 1.570 0.020 0.551 1.000 0.286 CB 1.176 8 residues pruned to eliminate duplicates Z: 10 5.676 1.643 0.348 0.453 0.778 0.333 CB 1.152 9 residues pruned to eliminate duplicates Z: 22 10.184 1.810 0.179 0.396 0.905 0.429 CA 1.285 21 residues pruned to eliminate duplicates Z: 21 19.460 1.944 0.582 0.454 0.950 0.550 CB 1.560 21 residues pruned to eliminate duplicates Z: 21 34.338 2.052 0.889 0.931 1.000 0.550 CB 1.384 21 residues pruned to eliminate duplicates Z: 33 14.465 1.913 0.313 0.421 0.906 0.625 CB 1.220 34 residues pruned to eliminate duplicates Z: 11 14.155 2.032 0.453 0.619 0.900 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 21 31.958 1.978 0.831 0.884 0.950 0.700 CB 1.500 21 residues pruned to eliminate duplicates Z: 13 24.158 2.252 0.464 0.904 1.000 0.583 CB 1.507 13 residues pruned to eliminate duplicates Z: 14 9.577 1.792 0.696 0.689 0.692 0.462 CB 1.062 14 residues pruned to eliminate duplicates Z: 39 24.455 2.067 0.459 0.478 0.921 0.474 CB 1.459 39 residues pruned to eliminate duplicates Z: 14 26.805 2.245 0.891 0.893 0.923 0.846 CB 1.362 14 residues pruned to eliminate duplicates Z: 17 16.739 1.873 0.655 0.650 0.938 0.625 CB 1.252 17 residues pruned to eliminate duplicates Z: 32 29.337 2.082 0.456 0.626 0.903 0.710 CA 1.709 29 residues pruned to eliminate duplicates Z: 6 3.231 1.578 0.759 0.420 0.600 0.400 CA 0.943 Z: 47 32.917 2.072 0.644 0.550 0.978 0.739 CA 1.387 47 residues pruned to eliminate duplicates Z: 21 20.688 1.959 0.499 0.892 0.950 0.650 CB 1.192 21 residues pruned to eliminate duplicates Z: 36 26.516 2.095 0.659 0.426 0.914 0.543 CB 1.523 36 residues pruned to eliminate duplicates Z: 48 30.914 2.050 0.519 0.578 0.915 0.638 CA 1.469 48 residues pruned to eliminate duplicates Z: 10 2.687 1.361 0.194 0.261 0.667 0.222 CA 1.086 10 residues pruned to eliminate duplicates Z: 9 13.639 1.727 0.704 0.888 1.000 1.000 CA 1.180 9 residues pruned to eliminate duplicates Z: 9 5.647 1.693 0.465 0.496 0.750 0.625 CA 1.077 9 residues pruned to eliminate duplicates Z: 15 8.343 2.004 0.199 0.477 0.714 0.500 CB 1.330 15 residues pruned to eliminate duplicates Z: 20 11.435 1.931 0.395 0.401 0.842 0.579 CA 1.282 20 residues pruned to eliminate duplicates Z: 9 8.374 1.811 0.808 0.431 0.750 0.375 CB 1.294 9 residues pruned to eliminate duplicates Z: 7 2.803 1.864 0.076 0.359 0.667 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 13 23.509 1.853 0.875 0.905 1.000 0.917 CB 1.391 13 residues pruned to eliminate duplicates Z: 29 16.741 2.034 0.451 0.442 0.821 0.571 CB 1.385 29 residues pruned to eliminate duplicates Z: 11 18.113 2.104 0.622 0.901 1.000 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 40 28.723 2.076 0.647 0.492 0.949 0.564 CA 1.428 40 residues pruned to eliminate duplicates Z: 30 28.448 2.012 0.694 0.656 0.931 0.759 CA 1.440 30 residues pruned to eliminate duplicates Z: 8 6.296 1.644 0.791 0.322 0.857 0.429 CB 1.147 8 residues pruned to eliminate duplicates Z: 11 20.506 2.113 0.359 0.913 1.000 0.700 CB 1.598 11 residues pruned to eliminate duplicates Z: 11 6.091 1.859 0.108 0.449 0.800 0.400 CB 1.231 11 residues pruned to eliminate duplicates Z: 48 19.769 2.009 0.454 0.332 0.830 0.489 CB 1.430 50 residues pruned to eliminate duplicates Z: 12 12.367 1.890 0.831 0.418 0.818 0.636 C 1.435 12 residues pruned to eliminate duplicates Z: 16 23.247 2.137 0.475 0.902 1.000 0.867 CB 1.358 16 residues pruned to eliminate duplicates Z: 22 14.483 1.851 0.515 0.486 0.905 0.714 CA 1.264 22 residues pruned to eliminate duplicates Z: 22 36.466 2.027 0.951 0.907 0.952 0.429 CB 1.501 22 residues pruned to eliminate duplicates Z: 11 2.581 1.629 0.445 0.148 0.600 0.300 CB 0.892 11 residues pruned to eliminate duplicates Z: 24 20.039 2.012 0.554 0.542 0.957 0.652 CB 1.340 24 residues pruned to eliminate duplicates Z: 17 17.623 2.029 0.500 0.493 0.938 0.688 CB 1.556 17 residues pruned to eliminate duplicates Z: 21 16.759 2.197 0.621 0.335 0.800 0.550 CA 1.575 21 residues pruned to eliminate duplicates Z: 11 18.986 2.118 0.563 0.671 1.000 0.800 CB 1.549 11 residues pruned to eliminate duplicates Z: 8 6.685 1.855 0.334 0.317 1.000 0.714 CA 1.249 8 residues pruned to eliminate duplicates Z: 25 30.394 2.092 0.535 0.739 0.958 0.583 CA 1.627 25 residues pruned to eliminate duplicates Z: 8 2.535 1.472 -0.061 0.389 0.857 0.429 CA 0.910 8 residues pruned to eliminate duplicates Z: 13 12.922 1.991 0.490 0.402 0.917 0.667 CA 1.521 13 residues pruned to eliminate duplicates Z: 9 16.392 2.024 0.732 0.675 1.000 0.625 CB 1.408 9 residues pruned to eliminate duplicates Z: 56 33.326 2.034 0.667 0.530 0.891 0.600 CA 1.444 56 residues pruned to eliminate duplicates Z: 26 21.416 2.249 0.585 0.333 0.920 0.560 CB 1.568 26 residues pruned to eliminate duplicates Z: 9 4.891 1.847 0.074 0.350 0.875 0.750 CB 1.173 9 residues pruned to eliminate duplicates Z: 9 9.780 1.704 0.499 0.863 1.000 1.000 CA 0.993 9 residues pruned to eliminate duplicates Z: 18 11.733 1.825 0.391 0.433 0.882 0.529 CA 1.361 18 residues pruned to eliminate duplicates Z: 24 14.064 2.023 0.530 0.331 0.870 0.565 CB 1.311 24 residues pruned to eliminate duplicates Z: 8 4.015 1.788 0.241 0.411 0.857 0.286 CB 0.875 8 residues pruned to eliminate duplicates Z: 10 9.198 1.982 0.282 0.641 1.000 0.556 CB 1.057 10 residues pruned to eliminate duplicates Z: 33 16.726 2.052 0.301 0.448 0.875 0.625 CB 1.335 33 residues pruned to eliminate duplicates Z: 22 32.768 2.107 0.709 0.915 1.000 0.571 CB 1.403 22 residues pruned to eliminate duplicates Z: 6 5.726 1.550 0.296 0.553 1.000 0.800 N 1.210 Z: 6 6.123 1.737 0.091 0.842 1.000 0.800 CB 1.076 6 residues pruned to eliminate duplicates Z: 18 31.133 2.130 0.669 0.881 0.941 0.706 CA 1.635 18 residues pruned to eliminate duplicates Z: 10 15.723 1.795 0.741 0.835 0.889 0.333 CA 1.413 10 residues pruned to eliminate duplicates Z: 6 6.618 1.728 0.070 0.750 1.000 0.800 CA 1.280 6 residues pruned to eliminate duplicates Z: 16 11.576 1.953 0.348 0.450 0.800 0.533 CA 1.494 16 residues pruned to eliminate duplicates Z: 12 17.402 1.958 0.623 0.857 0.909 0.727 CA 1.338 12 residues pruned to eliminate duplicates Z: 19 29.716 2.058 0.609 0.906 0.889 0.556 CA 1.692 19 residues pruned to eliminate duplicates Z: 6 3.878 1.400 0.373 0.462 1.000 0.800 CB 0.938 Z: 9 8.403 1.936 0.186 0.341 1.000 0.375 CA 1.537 9 residues pruned to eliminate duplicates Z: 31 16.525 1.973 0.329 0.430 0.833 0.600 CB 1.484 31 residues pruned to eliminate duplicates Z: 48 35.612 1.941 0.938 0.597 0.936 0.809 CA 1.345 48 residues pruned to eliminate duplicates Z: 11 17.961 2.137 0.599 0.575 1.000 0.600 CB 1.546 11 residues pruned to eliminate duplicates Z: 11 4.038 1.703 0.238 0.305 0.600 0.300 CB 1.254 Z: 18 11.487 1.957 0.369 0.354 0.882 0.529 CB 1.380 19 residues pruned to eliminate duplicates Z: 13 10.495 1.912 0.325 0.494 0.833 0.667 CB 1.443 13 residues pruned to eliminate duplicates Z: 8 9.848 1.894 0.319 0.877 1.000 0.714 CB 1.082 8 residues pruned to eliminate duplicates Z: 13 8.424 1.894 0.095 0.450 0.833 0.500 CA 1.481 13 residues pruned to eliminate duplicates Z: 8 4.880 1.698 0.269 0.449 0.714 0.714 CB 1.262 8 residues pruned to eliminate duplicates Z: 25 13.791 1.914 0.508 0.424 0.833 0.583 CB 1.267 25 residues pruned to eliminate duplicates Z: 29 16.095 1.881 0.408 0.476 0.893 0.607 CB 1.317 29 residues pruned to eliminate duplicates Z: 6 2.526 1.603 0.128 0.438 0.600 0.400 CA 1.109 Z: 15 8.925 1.813 0.461 0.369 0.857 0.429 CB 1.210 13 residues pruned to eliminate duplicates Z: 13 17.106 1.852 0.634 0.737 1.000 0.583 CB 1.319 13 residues pruned to eliminate duplicates Z: 24 20.126 2.013 0.566 0.540 0.957 0.522 CB 1.338 24 residues pruned to eliminate duplicates Z: 65 38.696 1.977 0.626 0.565 0.984 0.656 CA 1.435 65 residues pruned to eliminate duplicates Z: 18 8.915 1.804 0.288 0.389 0.882 0.529 CA 1.187 20 residues pruned to eliminate duplicates Z: 32 16.118 1.905 0.530 0.403 0.774 0.452 CA 1.422 32 residues pruned to eliminate duplicates Z: 22 20.573 1.928 0.427 0.888 0.952 0.667 CB 1.235 22 residues pruned to eliminate duplicates Z: 29 21.963 2.123 0.501 0.491 0.929 0.679 CB 1.415 29 residues pruned to eliminate duplicates Z: 20 10.453 1.840 0.243 0.424 0.842 0.421 CA 1.348 18 residues pruned to eliminate duplicates Z: 9 11.030 2.004 0.511 0.724 0.875 0.625 N 1.202 Z: 29 23.669 1.976 0.443 0.600 0.964 0.714 CB 1.480 29 residues pruned to eliminate duplicates Z: 6 6.121 1.454 0.784 0.618 0.800 0.400 O 1.181 Z: 32 12.361 1.972 0.296 0.352 0.742 0.452 CB 1.374 32 residues pruned to eliminate duplicates Z: 27 17.477 1.905 0.374 0.502 0.923 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 16 23.840 2.225 0.416 0.857 0.933 0.800 CB 1.543 16 residues pruned to eliminate duplicates Z: 10 8.614 1.872 0.643 0.315 0.889 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 6 4.716 1.881 -0.208 0.460 1.000 0.600 CA 1.475 Z: 25 13.670 1.931 0.375 0.365 0.833 0.583 CB 1.457 25 residues pruned to eliminate duplicates Z: 9 4.528 1.636 0.476 0.370 0.750 0.375 CA 1.016 9 residues pruned to eliminate duplicates Z: 8 2.995 1.627 0.611 0.463 0.857 0.714 CB 0.523 8 residues pruned to eliminate duplicates Z: 63 48.645 2.167 0.768 0.607 0.968 0.565 CB 1.504 63 residues pruned to eliminate duplicates Z: 9 4.794 1.592 0.584 0.394 0.750 0.750 CB 1.002 9 residues pruned to eliminate duplicates Z: 33 34.454 2.088 0.832 0.673 0.969 0.812 CA 1.400 33 residues pruned to eliminate duplicates Z: 13 4.451 1.444 0.313 0.251 0.833 0.417 N 1.083 Z: 13 15.774 1.945 0.694 0.593 1.000 0.833 CB 1.264 13 residues pruned to eliminate duplicates Z: 26 21.387 1.977 0.539 0.496 0.960 0.560 CB 1.471 26 residues pruned to eliminate duplicates Z: 7 3.168 1.449 0.256 0.466 0.667 0.500 CB 1.104 Z: 16 9.089 1.714 0.460 0.365 0.800 0.467 N 1.355 16 residues pruned to eliminate duplicates Z: 22 36.344 1.995 0.847 0.924 0.952 0.619 CB 1.587 22 residues pruned to eliminate duplicates Z: 9 7.506 1.688 0.603 0.456 0.875 0.500 CA 1.172 9 residues pruned to eliminate duplicates Z: 7 6.741 1.699 0.566 0.459 0.833 0.500 N 1.295 7 residues pruned to eliminate duplicates Z: 21 38.931 2.230 0.802 0.918 1.000 0.500 CB 1.528 21 residues pruned to eliminate duplicates Z: 6 6.051 1.798 0.634 0.409 0.800 0.600 CB 1.266 6 residues pruned to eliminate duplicates 6 1.610 1.384 0.496 0.527 0.600 0.600 CB 0.565 ? Z: 6 4.399 1.625 -0.026 0.655 1.000 0.800 CB 1.076 Z: 11 14.925 1.753 0.577 0.893 1.000 0.800 CA 1.226 11 residues pruned to eliminate duplicates 8 1.864 1.373 0.257 0.213 0.714 0.714 CB 0.801 ? Z: 12 12.285 2.012 0.550 0.457 0.909 0.545 CB 1.365 12 residues pruned to eliminate duplicates Z: 9 4.641 1.531 0.084 0.655 0.875 0.500 N 0.979 9 residues pruned to eliminate duplicates Z: 21 37.612 2.215 0.676 0.919 1.000 0.700 CB 1.597 21 residues pruned to eliminate duplicates Z: 8 4.256 1.613 -0.056 0.450 1.000 0.429 CB 1.113 8 residues pruned to eliminate duplicates Z: 6 3.112 1.562 0.344 0.627 0.600 0.600 N 0.980 Z: 7 6.624 1.551 0.751 0.664 0.667 0.500 CA 1.283 7 residues pruned to eliminate duplicates Z: 12 5.705 1.614 0.334 0.299 0.909 0.545 N 1.100 12 residues pruned to eliminate duplicates Z: 20 14.709 1.987 0.226 0.500 0.947 0.737 CA 1.462 20 residues pruned to eliminate duplicates Z: 21 28.463 2.015 0.641 0.919 1.000 0.700 CB 1.357 21 residues pruned to eliminate duplicates Z: 6 4.351 1.374 0.777 0.702 0.800 0.600 CA 0.829 6 residues pruned to eliminate duplicates Z: 9 8.755 1.763 0.582 0.692 1.000 0.750 CB 0.931 Z: 6 4.371 1.641 0.125 0.708 0.800 0.600 CA 1.095 6 residues pruned to eliminate duplicates Z: 44 21.929 1.894 0.442 0.504 0.884 0.535 CB 1.380 44 residues pruned to eliminate duplicates Z: 19 26.938 2.054 0.707 0.907 1.000 0.778 CB 1.287 19 residues pruned to eliminate duplicates Z: 6 5.085 1.702 0.783 0.366 0.800 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 8 7.692 1.883 0.533 0.812 1.000 1.000 CB 0.768 8 residues pruned to eliminate duplicates Z: 8 2.722 1.465 0.340 0.334 0.857 0.714 CB 0.733 Z: 9 4.078 1.672 0.116 0.295 0.750 0.500 CB 1.295 9 residues pruned to eliminate duplicates Z: 17 14.048 2.014 0.098 0.876 0.938 0.750 CB 1.231 17 residues pruned to eliminate duplicates Z: 29 14.063 1.916 0.322 0.420 0.893 0.464 CB 1.277 29 residues pruned to eliminate duplicates Z: 37 17.203 1.941 0.496 0.286 0.889 0.333 CB 1.414 37 residues pruned to eliminate duplicates Z: 7 7.548 1.773 0.062 0.654 1.000 0.667 CB 1.418 7 residues pruned to eliminate duplicates Z: 20 24.714 2.007 0.404 0.903 1.000 0.842 CB 1.433 20 residues pruned to eliminate duplicates Z: 23 18.264 1.995 0.791 0.402 0.864 0.545 CB 1.399 23 residues pruned to eliminate duplicates Z: 8 6.617 1.767 -0.092 0.725 0.857 0.714 N 1.484 8 residues pruned to eliminate duplicates Z: 11 5.676 2.009 0.108 0.423 0.700 0.500 CB 1.248 11 residues pruned to eliminate duplicates Z: 40 22.387 1.986 0.422 0.493 0.872 0.692 CB 1.467 40 residues pruned to eliminate duplicates Z: 35 21.597 2.052 0.474 0.494 0.882 0.618 CB 1.397 35 residues pruned to eliminate duplicates Z: 38 20.217 2.044 0.455 0.390 0.784 0.486 CB 1.601 42 residues pruned to eliminate duplicates 6 1.984 1.278 0.998 0.380 0.600 0.400 N 0.658 ? 7 1.478 1.490 -0.057 0.314 0.500 0.333 CB 1.055 ? Z: 6 3.834 1.299 0.795 0.450 1.000 0.600 CB 0.774 Z: 22 17.241 1.921 0.428 0.496 0.905 0.619 CB 1.521 22 residues pruned to eliminate duplicates Z: 19 17.204 2.010 0.505 0.446 0.944 0.722 CB 1.499 19 residues pruned to eliminate duplicates Z: 8 2.880 1.656 -0.022 0.324 0.714 0.571 CA 1.142 8 residues pruned to eliminate duplicates Z: 16 16.086 2.068 0.366 0.644 0.933 0.533 CB 1.378 16 residues pruned to eliminate duplicates Z: 7 4.666 1.381 0.798 0.502 1.000 0.833 N 0.765 Z: 34 20.477 2.038 0.429 0.466 0.909 0.606 CB 1.394 34 residues pruned to eliminate duplicates Z: 39 20.558 2.008 0.386 0.446 0.895 0.526 CB 1.416 39 residues pruned to eliminate duplicates Z: 18 20.642 1.833 0.869 0.789 0.824 0.647 CA 1.376 18 residues pruned to eliminate duplicates Z: 6 2.503 1.304 0.431 0.288 0.800 0.600 CB 0.952 Z: 22 18.273 1.817 0.751 0.538 0.857 0.619 CB 1.409 22 residues pruned to eliminate duplicates Z: 18 30.756 2.060 0.841 0.926 1.000 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 13 8.484 1.751 0.376 0.432 0.750 0.500 CB 1.455 13 residues pruned to eliminate duplicates Z: 6 7.619 1.747 0.074 0.834 1.000 0.800 CA 1.361 6 residues pruned to eliminate duplicates Z: 28 14.773 1.887 0.413 0.407 0.889 0.593 CB 1.323 28 residues pruned to eliminate duplicates Z: 25 13.836 1.921 0.485 0.365 0.833 0.458 CB 1.374 25 residues pruned to eliminate duplicates Z: 13 14.407 1.876 0.754 0.487 0.833 0.583 CB 1.538 13 residues pruned to eliminate duplicates Z: 8 3.986 1.526 0.162 0.441 1.000 0.857 CA 0.903 Z: 10 8.051 1.743 0.586 0.486 0.889 0.667 CA 1.108 5 residues pruned to eliminate duplicates Z: 12 7.904 1.827 0.138 0.418 0.818 0.727 CA 1.525 12 residues pruned to eliminate duplicates Z: 14 9.632 1.977 0.333 0.401 0.846 0.615 CA 1.330 14 residues pruned to eliminate duplicates Z: 13 10.916 1.770 0.513 0.708 0.917 0.667 N 1.062 9 residues pruned to eliminate duplicates Z: 23 18.330 2.014 0.411 0.551 0.909 0.636 CB 1.440 22 residues pruned to eliminate duplicates Z: 18 11.257 1.944 0.567 0.378 0.706 0.471 CA 1.446 18 residues pruned to eliminate duplicates Z: 19 25.761 2.049 0.785 0.909 0.944 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 15 10.740 1.922 0.243 0.429 0.929 0.429 CB 1.393 15 residues pruned to eliminate duplicates Z: 74 49.923 2.181 0.678 0.623 0.932 0.630 CB 1.527 74 residues pruned to eliminate duplicates Z: 17 9.468 1.820 0.429 0.433 0.812 0.625 CA 1.200 17 residues pruned to eliminate duplicates Z: 16 16.734 1.897 0.702 0.491 0.933 0.533 CB 1.447 16 residues pruned to eliminate duplicates Z: 21 14.138 1.894 0.287 0.435 0.950 0.600 CB 1.461 21 residues pruned to eliminate duplicates Z: 15 7.619 1.763 0.427 0.403 0.714 0.500 CB 1.255 15 residues pruned to eliminate duplicates Z: 29 16.968 1.841 0.359 0.501 0.893 0.643 CA 1.434 29 residues pruned to eliminate duplicates Z: 36 12.448 1.896 0.287 0.369 0.800 0.371 CB 1.240 36 residues pruned to eliminate duplicates Z: 28 23.358 2.137 0.579 0.469 0.926 0.630 CB 1.485 28 residues pruned to eliminate duplicates Z: 12 8.161 2.031 0.193 0.378 0.909 0.455 CA 1.272 12 residues pruned to eliminate duplicates Z: 23 24.634 2.159 0.678 0.664 0.955 0.818 CA 1.305 23 residues pruned to eliminate duplicates Z: 6 3.679 1.678 0.472 0.497 0.600 0.400 CA 1.114 6 residues pruned to eliminate duplicates Z: 84 37.859 2.035 0.440 0.532 0.928 0.602 CA 1.481 84 residues pruned to eliminate duplicates Z: 6 3.934 1.745 0.851 0.475 0.600 0.600 CB 0.931 Z: 23 14.087 1.979 0.829 0.299 0.773 0.455 CA 1.344 23 residues pruned to eliminate duplicates Z: 19 18.606 2.058 0.531 0.576 0.889 0.667 CB 1.456 19 residues pruned to eliminate duplicates Z: 11 11.317 1.959 0.353 0.543 1.000 0.600 CB 1.294 11 residues pruned to eliminate duplicates Z: 14 14.041 1.979 0.453 0.542 0.923 0.769 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 12.062 1.962 0.519 0.446 0.889 0.556 CB 1.605 10 residues pruned to eliminate duplicates Z: 8 15.745 1.948 0.669 0.876 1.000 0.714 CA 1.330 8 residues pruned to eliminate duplicates Z: 9 4.934 1.628 0.299 0.360 0.750 0.500 CA 1.280 9 residues pruned to eliminate duplicates Z: 22 35.627 2.124 0.773 0.905 1.000 0.905 CB 1.470 22 residues pruned to eliminate duplicates Z: 6 3.894 1.233 0.631 0.657 0.800 0.800 O 0.935 Z: 84 51.134 2.144 0.805 0.580 0.904 0.506 CB 1.486 84 residues pruned to eliminate duplicates Z: 20 14.508 1.828 0.551 0.430 0.895 0.632 CB 1.411 20 residues pruned to eliminate duplicates Z: 18 10.517 1.755 0.283 0.459 0.941 0.588 CB 1.255 18 residues pruned to eliminate duplicates Z: 10 5.804 1.710 0.488 0.494 1.000 0.778 CB 0.765 10 residues pruned to eliminate duplicates Z: 26 15.953 1.959 0.373 0.521 0.960 0.480 CB 1.210 26 residues pruned to eliminate duplicates Z: 29 15.523 1.900 0.254 0.410 0.964 0.607 CB 1.404 28 residues pruned to eliminate duplicates Z: 8 4.567 1.461 0.583 0.522 0.714 0.286 CA 1.022 8 residues pruned to eliminate duplicates Z: 12 7.570 1.832 0.465 0.355 0.727 0.455 CA 1.368 12 residues pruned to eliminate duplicates Z: 18 22.927 2.152 0.481 0.894 0.882 0.647 CB 1.418 18 residues pruned to eliminate duplicates Z: 9 6.381 1.688 0.363 0.503 0.750 0.500 CB 1.303 9 residues pruned to eliminate duplicates Z: 11 3.876 1.790 0.134 0.189 0.700 0.300 CB 1.253 11 residues pruned to eliminate duplicates Z: 13 13.104 1.814 0.204 0.872 1.000 0.917 CB 1.263 13 residues pruned to eliminate duplicates Z: 14 11.105 1.661 0.905 0.460 0.769 0.615 CA 1.319 14 residues pruned to eliminate duplicates Z: 13 6.107 1.824 0.177 0.375 0.750 0.417 CA 1.251 13 residues pruned to eliminate duplicates Z: 9 2.722 1.446 0.262 0.319 0.875 0.625 CB 0.736 9 residues pruned to eliminate duplicates Z: 6 2.976 1.546 -0.136 0.628 0.800 0.600 C 1.104 6 residues pruned to eliminate duplicates Z: 13 7.702 1.935 0.314 0.384 0.833 0.500 CB 1.187 13 residues pruned to eliminate duplicates Z: 21 12.108 1.821 0.360 0.366 0.900 0.500 CB 1.402 21 residues pruned to eliminate duplicates Z: 13 23.749 1.882 0.840 0.921 1.000 0.833 CB 1.394 13 residues pruned to eliminate duplicates Z: 31 13.216 1.921 0.184 0.416 0.933 0.567 CB 1.241 31 residues pruned to eliminate duplicates Z: 35 14.663 1.854 0.288 0.436 0.853 0.647 CB 1.319 35 residues pruned to eliminate duplicates Z: 6 12.347 1.715 0.618 0.883 1.000 0.800 N 1.439 Z: 27 10.905 2.021 0.408 0.298 0.731 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 6 4.472 1.795 0.255 0.610 0.800 0.800 CB 1.000 4 residues pruned to eliminate duplicates Z: 7 3.810 1.531 0.646 0.588 0.833 0.667 CB 0.681 Z: 13 7.257 1.655 0.576 0.356 0.750 0.417 CA 1.250 13 residues pruned to eliminate duplicates Z: 16 9.775 1.706 0.497 0.443 0.800 0.533 CA 1.310 16 residues pruned to eliminate duplicates Z: 16 7.215 1.618 0.810 0.294 0.733 0.333 CB 1.092 16 residues pruned to eliminate duplicates Z: 77 40.274 2.064 0.511 0.558 0.934 0.632 CA 1.499 77 residues pruned to eliminate duplicates Z: 7 2.835 1.385 0.130 0.313 0.833 0.500 C 1.091 Z: 7 2.516 1.190 0.292 0.319 1.000 0.500 CB 0.816 Z: 25 25.387 1.956 0.956 0.582 0.958 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 17 22.389 1.959 0.804 0.888 0.875 0.812 CB 1.304 17 residues pruned to eliminate duplicates 7 1.898 1.368 -0.007 0.415 0.833 0.667 CB 0.749 ? 7 1.706 1.157 0.483 0.405 0.667 0.667 C 0.673 ? Z: 30 16.591 1.847 0.393 0.513 0.828 0.655 CA 1.428 30 residues pruned to eliminate duplicates Z: 10 6.966 1.680 0.491 0.546 0.889 0.556 CB 0.996 10 residues pruned to eliminate duplicates Z: 6 4.596 1.295 0.827 0.471 1.000 0.600 CB 0.894 Z: 6 5.368 1.914 0.392 0.378 1.000 0.400 CA 1.027 6 residues pruned to eliminate duplicates Z: 15 23.566 2.122 0.743 0.905 0.929 0.929 CB 1.305 15 residues pruned to eliminate duplicates Z: 6 3.352 1.491 0.235 0.432 1.000 0.600 CB 0.873 5 residues pruned to eliminate duplicates Z: 6 4.148 1.476 0.268 0.592 0.800 0.800 CB 1.134 Z: 7 2.593 1.706 0.228 0.249 0.667 0.667 CB 1.011 Z: 8 3.018 1.642 0.140 0.464 0.571 0.429 N 1.106 Z: 6 3.952 1.574 0.175 0.477 1.000 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 8 3.989 1.638 0.255 0.547 1.000 0.714 CB 0.701 8 residues pruned to eliminate duplicates Z: 7 7.182 1.763 0.457 0.602 0.833 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 9 8.534 1.773 0.278 0.688 0.750 0.375 N 1.494 9 residues pruned to eliminate duplicates Z: 46 27.987 2.023 0.406 0.685 0.889 0.622 CA 1.393 46 residues pruned to eliminate duplicates Z: 12 4.416 1.550 -0.032 0.458 0.909 0.727 N 1.019 12 residues pruned to eliminate duplicates Z: 12 9.746 1.823 0.478 0.620 0.909 0.727 CB 1.071 12 residues pruned to eliminate duplicates Z: 62 29.500 1.916 0.638 0.492 0.902 0.623 CA 1.346 21 residues pruned to eliminate duplicates Z: 14 8.018 1.578 0.211 0.488 1.000 0.615 CA 1.178 13 residues pruned to eliminate duplicates 6 1.933 1.424 0.070 0.416 0.600 0.600 N 1.032 ? Z: 9 5.182 1.877 0.098 0.290 0.875 0.500 CA 1.285 9 residues pruned to eliminate duplicates Z: 24 13.299 1.919 0.399 0.379 0.783 0.522 CB 1.501 24 residues pruned to eliminate duplicates Z: 26 17.412 1.989 0.709 0.566 0.760 0.560 CA 1.265 26 residues pruned to eliminate duplicates Z: 11 3.828 1.758 -0.201 0.420 0.900 0.800 CB 1.041 Z: 11 5.968 1.782 0.324 0.409 0.700 0.500 CA 1.256 11 residues pruned to eliminate duplicates 6 1.770 1.276 0.080 0.295 0.800 0.600 CA 0.903 ? Z: 9 2.625 1.409 0.281 0.248 0.750 0.625 CB 0.916 9 residues pruned to eliminate duplicates Z: 87 50.751 2.101 0.711 0.569 0.953 0.733 CB 1.494 87 residues pruned to eliminate duplicates Z: 7 9.602 1.439 1.011 0.750 1.000 0.500 CA 1.084 7 residues pruned to eliminate duplicates Z: 26 22.892 1.974 0.631 0.569 0.920 0.720 CA 1.445 26 residues pruned to eliminate duplicates Z: 8 5.887 1.661 0.300 0.456 0.857 0.571 CA 1.258 8 residues pruned to eliminate duplicates Z: 6 4.136 1.239 0.892 0.406 0.800 0.600 CA 1.088 Z: 20 10.906 1.775 0.408 0.440 0.947 0.474 CB 1.124 20 residues pruned to eliminate duplicates Z: 29 33.434 2.160 0.736 0.668 0.929 0.536 CB 1.554 29 residues pruned to eliminate duplicates Z: 8 2.181 1.328 0.246 0.263 0.714 0.571 N 0.914 Z: 7 4.123 1.749 -0.300 0.719 0.833 0.833 O 1.354 Z: 11 3.885 1.669 0.166 0.379 0.800 0.500 CB 0.898 11 residues pruned to eliminate duplicates Z: 21 14.210 1.835 0.508 0.453 0.900 0.450 CB 1.338 21 residues pruned to eliminate duplicates Z: 7 3.346 1.235 0.217 0.676 0.833 0.500 CA 0.926 Z: 33 19.293 2.037 0.408 0.500 0.906 0.562 CB 1.312 34 residues pruned to eliminate duplicates Z: 19 11.467 1.791 0.616 0.424 0.722 0.278 CB 1.399 19 residues pruned to eliminate duplicates Z: 8 4.219 1.432 0.321 0.450 0.857 0.714 O 1.036 Z: 12 2.525 1.318 0.425 0.368 0.727 0.455 CB 0.643 11 residues pruned to eliminate duplicates Z: 27 19.312 1.963 0.527 0.450 0.885 0.500 CA 1.504 27 residues pruned to eliminate duplicates Z: 11 8.916 1.928 0.308 0.609 0.900 0.400 CB 1.120 11 residues pruned to eliminate duplicates Z: 7 5.243 1.462 0.639 0.658 0.667 0.333 C 1.157 Z: 8 6.170 1.623 0.684 0.401 0.714 0.286 CA 1.325 8 residues pruned to eliminate duplicates Z: 14 8.363 1.760 0.521 0.424 0.846 0.692 CB 1.107 13 residues pruned to eliminate duplicates Z: 7 4.613 1.559 0.276 0.502 1.000 0.667 N 0.946 Z: 6 4.857 1.550 0.442 0.789 1.000 1.000 N 0.754 Z: 21 30.837 2.011 0.758 0.905 0.950 0.650 CB 1.461 21 residues pruned to eliminate duplicates Z: 8 3.054 1.494 0.376 0.234 0.714 0.571 N 1.071 Z: 8 4.798 1.784 0.078 0.274 1.000 0.571 CA 1.217 8 residues pruned to eliminate duplicates Z: 61 43.608 2.144 0.629 0.598 0.983 0.550 CA 1.492 61 residues pruned to eliminate duplicates Z: 6 3.571 1.402 0.215 0.673 1.000 0.600 N 0.799 Z: 7 11.438 1.867 0.482 0.665 1.000 0.500 CA 1.449 7 residues pruned to eliminate duplicates Z: 17 5.929 1.735 0.270 0.396 0.688 0.438 CA 1.092 17 residues pruned to eliminate duplicates Z: 7 3.247 1.563 0.377 0.514 0.833 0.667 CB 0.728 7 residues pruned to eliminate duplicates Z: 10 2.479 1.611 0.124 0.361 0.667 0.444 CA 0.795 10 residues pruned to eliminate duplicates Z: 11 9.412 1.760 0.605 0.493 0.800 0.600 CA 1.327 11 residues pruned to eliminate duplicates Z: 16 13.339 1.952 0.485 0.419 0.867 0.667 CB 1.492 16 residues pruned to eliminate duplicates Z: 9 3.262 1.597 -0.074 0.371 0.750 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 33 33.152 2.033 0.688 0.736 0.969 0.719 CA 1.426 33 residues pruned to eliminate duplicates Z: 16 9.876 1.859 0.432 0.435 0.800 0.533 CB 1.281 16 residues pruned to eliminate duplicates Z: 111 37.483 2.034 0.521 0.439 0.891 0.518 CB 1.381 111 residues pruned to eliminate duplicates Z: 10 4.625 1.597 0.013 0.393 0.889 0.444 CB 1.201 Z: 23 14.332 1.914 0.592 0.351 0.864 0.455 CB 1.365 23 residues pruned to eliminate duplicates Z: 12 6.775 1.532 0.470 0.395 0.818 0.455 N 1.238 12 residues pruned to eliminate duplicates Z: 9 5.943 1.505 0.583 0.535 0.875 0.750 CB 0.974 Z: 18 12.963 1.832 0.429 0.479 0.941 0.647 CA 1.303 18 residues pruned to eliminate duplicates Z: 29 19.749 2.013 0.427 0.458 0.964 0.643 CB 1.408 27 residues pruned to eliminate duplicates Z: 9 3.684 1.332 0.552 0.247 0.875 0.375 CB 0.964 Z: 19 26.721 2.173 0.921 0.678 0.889 0.500 CA 1.440 19 residues pruned to eliminate duplicates Z: 19 17.915 1.899 0.559 0.655 0.944 0.889 CB 1.307 19 residues pruned to eliminate duplicates Z: 12 12.851 1.908 0.676 0.552 0.909 0.636 CB 1.267 12 residues pruned to eliminate duplicates Z: 6 2.247 1.314 0.003 0.436 0.800 0.600 N 1.017 Z: 8 4.236 1.506 0.019 0.482 0.857 0.429 O 1.240 8 residues pruned to eliminate duplicates Z: 6 4.517 1.542 0.644 0.493 0.800 0.600 CA 1.003 Z: 8 13.189 1.767 0.797 0.899 1.000 0.714 CA 1.122 8 residues pruned to eliminate duplicates Z: 33 16.628 1.915 0.480 0.359 0.844 0.438 CB 1.430 33 residues pruned to eliminate duplicates Z: 12 4.025 1.373 0.202 0.288 0.818 0.636 CB 1.141 Z: 21 44.064 2.224 0.915 0.926 1.000 0.550 CB 1.621 21 residues pruned to eliminate duplicates Z: 9 6.570 1.636 0.151 0.591 1.000 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 20 9.404 1.770 0.274 0.376 0.842 0.526 CA 1.296 24 residues pruned to eliminate duplicates Z: 15 13.824 2.026 0.708 0.396 0.857 0.571 CB 1.391 15 residues pruned to eliminate duplicates Z: 9 5.697 1.539 0.301 0.432 1.000 0.625 CB 1.079 9 residues pruned to eliminate duplicates Z: 9 4.458 1.390 0.735 0.677 0.875 0.750 N 0.635 Z: 11 4.696 1.785 0.561 0.373 0.700 0.400 CB 0.872 11 residues pruned to eliminate duplicates Z: 11 2.869 1.386 0.214 0.378 0.900 0.400 CB 0.682 Z: 19 16.999 1.979 0.412 0.562 0.944 0.611 CB 1.430 19 residues pruned to eliminate duplicates Z: 37 35.961 2.129 0.604 0.743 0.944 0.778 CB 1.495 37 residues pruned to eliminate duplicates Z: 6 5.418 1.718 0.231 0.690 0.800 0.800 N 1.204 Z: 11 7.180 1.574 0.473 0.468 1.000 0.700 CB 1.012 9 residues pruned to eliminate duplicates Z: 16 8.101 1.569 0.476 0.597 1.000 0.533 CB 0.823 16 residues pruned to eliminate duplicates Z: 6 4.463 1.539 0.743 0.541 1.000 0.600 CB 0.715 Z: 27 15.483 1.907 0.357 0.356 0.846 0.500 CB 1.620 27 residues pruned to eliminate duplicates Z: 19 15.187 1.943 0.652 0.357 0.889 0.556 CA 1.464 19 residues pruned to eliminate duplicates Z: 34 13.126 1.960 0.485 0.370 0.697 0.424 CB 1.294 34 residues pruned to eliminate duplicates Z: 6 3.755 1.618 0.228 0.396 0.800 0.200 CB 1.180 6 residues pruned to eliminate duplicates Z: 9 3.316 1.499 0.050 0.329 0.750 0.500 O 1.198 Z: 6 3.794 1.911 0.128 0.344 0.800 0.200 CA 1.166 6 residues pruned to eliminate duplicates Z: 6 2.336 1.434 0.012 0.347 1.000 0.600 CA 0.850 Z: 10 6.103 1.667 0.292 0.334 0.889 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 6 2.279 1.416 0.166 0.378 0.800 0.600 CB 0.879 Z: 7 2.191 1.358 0.186 0.563 0.833 0.667 CB 0.627 Z: 8 2.139 1.386 0.559 0.207 0.571 0.429 CB 0.926 Z: 23 14.815 2.033 0.470 0.400 0.773 0.545 CB 1.520 23 residues pruned to eliminate duplicates Z: 7 2.208 1.369 0.301 0.342 0.667 0.500 CB 0.901 Z: 59 43.212 2.028 0.853 0.567 0.966 0.569 CB 1.465 59 residues pruned to eliminate duplicates Z: 10 5.232 1.568 0.534 0.241 0.778 0.444 C 1.257 10 residues pruned to eliminate duplicates 6 1.708 1.106 0.622 0.291 0.800 0.400 CA 0.673 ? Z: 8 8.391 1.792 0.310 0.685 0.857 0.429 CA 1.330 8 residues pruned to eliminate duplicates Z: 7 3.347 1.649 -0.056 0.414 0.667 0.500 CA 1.441 Z: 13 10.653 1.805 0.216 0.521 1.000 0.833 CA 1.372 13 residues pruned to eliminate duplicates Z: 11 9.646 1.740 0.397 0.623 0.900 0.400 CB 1.242 11 residues pruned to eliminate duplicates Z: 13 6.539 2.033 0.409 0.384 0.750 0.583 CB 0.994 13 residues pruned to eliminate duplicates Z: 20 7.536 1.750 0.301 0.344 0.737 0.368 CA 1.221 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 7.797 1.852 0.415 0.543 1.000 1.000 CB 1.078 10 residues pruned to eliminate duplicates Z: 7 2.336 1.341 0.677 0.299 0.667 0.500 N 0.797 7 residues pruned to eliminate duplicates Z: 10 6.660 1.756 0.318 0.408 0.778 0.556 CB 1.358 10 residues pruned to eliminate duplicates Z: 10 11.101 1.835 0.705 0.435 0.889 0.556 CA 1.423 10 residues pruned to eliminate duplicates Z: 10 8.896 1.839 0.524 0.436 0.778 0.556 CB 1.454 10 residues pruned to eliminate duplicates Z: 10 8.757 1.788 0.572 0.396 0.778 0.667 CA 1.490 10 residues pruned to eliminate duplicates Z: 10 10.360 1.762 0.590 0.479 0.889 0.556 CA 1.417 10 residues pruned to eliminate duplicates Z: 9 6.175 1.816 0.667 0.334 0.750 0.625 CA 1.152 7 residues pruned to eliminate duplicates Z: 7 7.107 1.614 0.668 0.472 0.833 0.667 CB 1.331 8 residues pruned to eliminate duplicates Z: 8 9.956 1.943 0.650 0.473 0.857 0.571 CB 1.407 7 residues pruned to eliminate duplicates Z: 6 8.450 1.806 0.511 0.627 1.000 0.400 CB 1.229 4 residues pruned to eliminate duplicates Z: 7 6.229 1.513 0.642 0.716 1.000 0.500 N 0.842 7 residues pruned to eliminate duplicates Z: 6 5.603 1.656 0.418 0.827 0.800 0.400 CA 1.005 6 residues pruned to eliminate duplicates Z: 8 10.014 1.949 0.555 0.449 1.000 0.429 CA 1.316 8 residues pruned to eliminate duplicates Z: 26 19.749 1.985 0.475 0.439 0.960 0.560 CB 1.496 26 residues pruned to eliminate duplicates Z: 24 14.342 2.000 0.488 0.366 0.826 0.522 CB 1.404 24 residues pruned to eliminate duplicates Z: 32 15.439 1.852 0.423 0.375 0.871 0.387 CB 1.381 28 residues pruned to eliminate duplicates Z: 27 17.016 1.960 0.491 0.426 0.846 0.615 CB 1.458 27 residues pruned to eliminate duplicates Z: 25 20.229 1.981 0.592 0.444 0.958 0.625 CA 1.447 25 residues pruned to eliminate duplicates Z: 30 15.933 1.856 0.441 0.381 0.897 0.621 CB 1.401 30 residues pruned to eliminate duplicates Z: 27 18.007 1.951 0.537 0.401 0.885 0.654 CB 1.477 32 residues pruned to eliminate duplicates Z: 6 4.907 1.646 0.622 0.372 0.800 0.800 CA 1.179 6 residues pruned to eliminate duplicates Z: 27 17.818 1.904 0.503 0.457 0.923 0.615 CB 1.383 27 residues pruned to eliminate duplicates Z: 25 19.280 2.013 0.518 0.434 0.917 0.458 CB 1.504 25 residues pruned to eliminate duplicates Z: 28 16.408 1.916 0.551 0.425 0.852 0.556 CB 1.349 28 residues pruned to eliminate duplicates Z: 27 16.773 1.941 0.528 0.416 0.846 0.538 CB 1.430 27 residues pruned to eliminate duplicates Z: 25 16.215 1.941 0.459 0.407 0.917 0.500 CB 1.406 25 residues pruned to eliminate duplicates Z: 26 17.243 1.991 0.522 0.358 0.920 0.600 CB 1.442 26 residues pruned to eliminate duplicates Z: 26 18.069 1.983 0.504 0.389 0.920 0.560 CB 1.482 27 residues pruned to eliminate duplicates Z: 7 5.781 1.771 0.710 0.679 0.833 0.833 CA 0.794 7 residues pruned to eliminate duplicates Z: 6 6.038 1.876 0.567 0.618 1.000 0.800 CA 0.821 6 residues pruned to eliminate duplicates Z: 7 3.505 1.779 0.201 0.486 0.833 0.500 CA 0.815 7 residues pruned to eliminate duplicates Z: 16 13.462 1.968 0.486 0.561 1.000 0.533 CB 1.120 16 residues pruned to eliminate duplicates Z: 18 14.357 1.953 0.480 0.502 1.000 0.588 CB 1.203 18 residues pruned to eliminate duplicates Z: 8 4.432 1.933 0.560 0.336 0.714 0.286 CA 0.929 8 residues pruned to eliminate duplicates Z: 12 11.613 2.008 0.514 0.570 0.909 0.636 CB 1.184 12 residues pruned to eliminate duplicates Z: 6 2.001 1.254 0.915 0.314 0.600 0.600 CA 0.763 6 residues pruned to eliminate duplicates Z: 15 9.790 1.932 0.482 0.498 0.857 0.429 CB 1.068 15 residues pruned to eliminate duplicates Z: 19 9.865 1.775 0.443 0.501 0.889 0.611 CB 1.021 19 residues pruned to eliminate duplicates Z: 15 12.128 1.990 0.505 0.497 0.929 0.571 CB 1.170 15 residues pruned to eliminate duplicates Z: 17 11.398 1.906 0.469 0.467 0.875 0.562 CB 1.202 17 residues pruned to eliminate duplicates Z: 10 6.553 1.747 0.525 0.394 0.778 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 10 7.618 1.745 0.677 0.375 0.889 0.444 CB 1.116 10 residues pruned to eliminate duplicates Z: 10 7.833 1.754 0.866 0.404 0.778 0.444 CA 1.135 10 residues pruned to eliminate duplicates Z: 7 7.809 1.865 0.671 0.646 0.833 0.500 CA 1.071 8 residues pruned to eliminate duplicates Z: 7 4.681 1.909 -0.137 0.417 1.000 0.333 CA 1.265 7 residues pruned to eliminate duplicates Z: 27 14.427 1.932 0.248 0.387 0.962 0.615 CA 1.376 28 residues pruned to eliminate duplicates Z: 6 2.272 1.433 0.049 0.455 0.800 0.800 CA 0.884 6 residues pruned to eliminate duplicates Z: 32 15.130 1.917 0.303 0.436 0.935 0.710 CB 1.243 32 residues pruned to eliminate duplicates Z: 31 16.845 1.947 0.344 0.456 0.933 0.600 CB 1.318 31 residues pruned to eliminate duplicates Z: 30 17.179 1.979 0.319 0.435 0.966 0.552 CB 1.354 30 residues pruned to eliminate duplicates Z: 30 17.136 1.974 0.380 0.424 0.931 0.517 CB 1.357 30 residues pruned to eliminate duplicates Z: 21 11.842 1.895 0.172 0.443 1.000 0.650 CA 1.264 21 residues pruned to eliminate duplicates Z: 29 17.154 1.983 0.337 0.433 0.964 0.679 CB 1.360 29 residues pruned to eliminate duplicates Z: 29 13.320 1.943 0.259 0.365 0.857 0.536 CB 1.388 29 residues pruned to eliminate duplicates Z: 32 15.953 1.910 0.266 0.441 0.968 0.677 CB 1.301 32 residues pruned to eliminate duplicates Z: 34 14.528 1.913 0.235 0.396 0.909 0.545 CB 1.314 34 residues pruned to eliminate duplicates Z: 30 15.483 1.960 0.175 0.445 0.966 0.655 CB 1.369 30 residues pruned to eliminate duplicates Z: 30 16.189 1.981 0.355 0.431 0.897 0.552 CB 1.342 30 residues pruned to eliminate duplicates Z: 31 16.400 1.953 0.250 0.455 0.967 0.667 CB 1.328 31 residues pruned to eliminate duplicates Z: 26 14.555 1.942 0.252 0.411 0.960 0.560 CB 1.369 26 residues pruned to eliminate duplicates Z: 32 14.226 1.931 0.203 0.428 0.935 0.613 CB 1.267 32 residues pruned to eliminate duplicates Z: 25 13.183 1.986 0.262 0.404 0.917 0.542 CB 1.296 25 residues pruned to eliminate duplicates Z: 23 14.367 1.967 0.355 0.440 0.955 0.682 CB 1.280 23 residues pruned to eliminate duplicates Z: 8 6.073 1.859 0.411 0.632 0.857 0.857 CB 0.902 8 residues pruned to eliminate duplicates Z: 8 8.203 1.848 0.463 0.659 1.000 0.857 CB 0.989 8 residues pruned to eliminate duplicates Z: 30 14.906 1.967 0.271 0.379 0.931 0.586 CB 1.352 30 residues pruned to eliminate duplicates Z: 32 14.967 1.878 0.323 0.405 0.935 0.516 CB 1.277 33 residues pruned to eliminate duplicates Z: 7 4.938 1.436 0.750 0.415 1.000 0.667 CA 0.877 7 residues pruned to eliminate duplicates Z: 17 9.751 1.841 0.268 0.381 0.875 0.562 CA 1.354 17 residues pruned to eliminate duplicates Z: 23 7.143 1.780 0.131 0.257 0.818 0.409 CA 1.221 23 residues pruned to eliminate duplicates Z: 12 12.512 1.939 0.430 0.626 1.000 0.636 CA 1.208 12 residues pruned to eliminate duplicates Z: 23 10.432 1.780 0.153 0.362 0.955 0.545 CA 1.317 18 residues pruned to eliminate duplicates Z: 6 4.006 1.817 -0.043 0.432 1.000 0.200 CA 1.104 6 residues pruned to eliminate duplicates Z: 21 14.542 1.830 0.491 0.400 0.950 0.500 CA 1.395 21 residues pruned to eliminate duplicates Z: 23 11.707 1.891 0.344 0.384 0.909 0.455 CA 1.223 23 residues pruned to eliminate duplicates Z: 19 10.467 1.865 0.284 0.389 0.944 0.389 CA 1.227 19 residues pruned to eliminate duplicates Z: 19 10.292 1.877 0.182 0.377 0.889 0.444 CA 1.403 19 residues pruned to eliminate duplicates Z: 18 12.321 1.913 0.365 0.426 0.941 0.529 CA 1.314 23 residues pruned to eliminate duplicates Z: 9 6.909 1.629 0.467 0.457 0.875 0.625 N 1.221 9 residues pruned to eliminate duplicates Z: 35 23.367 2.045 0.559 0.515 0.941 0.706 CB 1.316 37 residues pruned to eliminate duplicates Z: 6 5.449 1.925 0.149 0.533 0.800 0.400 CA 1.334 6 residues pruned to eliminate duplicates Z: 27 17.476 2.038 0.310 0.415 0.962 0.615 CA 1.460 27 residues pruned to eliminate duplicates Z: 28 15.089 1.939 0.317 0.391 0.852 0.444 CA 1.498 28 residues pruned to eliminate duplicates Z: 38 21.830 2.000 0.432 0.430 0.919 0.514 CB 1.467 38 residues pruned to eliminate duplicates Z: 36 20.208 2.022 0.457 0.459 0.857 0.514 CB 1.410 36 residues pruned to eliminate duplicates Z: 34 21.834 2.073 0.474 0.445 0.909 0.545 CA 1.448 34 residues pruned to eliminate duplicates Z: 36 21.338 2.028 0.471 0.446 0.886 0.543 CB 1.444 36 residues pruned to eliminate duplicates Z: 35 21.103 2.070 0.432 0.475 0.853 0.500 CA 1.469 35 residues pruned to eliminate duplicates Z: 36 20.314 2.021 0.558 0.442 0.800 0.486 CB 1.447 36 residues pruned to eliminate duplicates Z: 36 20.528 2.023 0.389 0.467 0.914 0.629 CB 1.397 36 residues pruned to eliminate duplicates Z: 34 23.256 2.095 0.413 0.477 0.939 0.545 CB 1.491 34 residues pruned to eliminate duplicates Z: 36 24.112 2.058 0.414 0.457 0.971 0.600 CB 1.507 36 residues pruned to eliminate duplicates Z: 6 4.419 1.631 0.267 0.465 1.000 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 9 18.303 2.174 0.840 0.755 1.000 0.750 CB 1.289 9 residues pruned to eliminate duplicates Z: 37 21.100 2.013 0.415 0.442 0.917 0.611 CB 1.429 37 residues pruned to eliminate duplicates Z: 35 19.399 2.000 0.492 0.419 0.853 0.412 CB 1.422 35 residues pruned to eliminate duplicates Z: 35 23.301 2.068 0.468 0.461 0.912 0.559 CB 1.503 35 residues pruned to eliminate duplicates Z: 26 20.579 1.993 0.453 0.504 1.000 0.520 CB 1.416 26 residues pruned to eliminate duplicates Z: 28 15.825 1.979 0.402 0.444 0.852 0.519 CA 1.365 28 residues pruned to eliminate duplicates Z: 15 10.202 1.983 0.438 0.361 0.786 0.571 CB 1.413 15 residues pruned to eliminate duplicates Z: 24 13.351 1.995 0.470 0.326 0.826 0.391 CB 1.390 24 residues pruned to eliminate duplicates Z: 15 5.764 1.956 0.290 0.279 0.714 0.571 CB 1.097 15 residues pruned to eliminate duplicates Z: 15 10.103 1.852 0.344 0.296 0.929 0.643 CB 1.467 15 residues pruned to eliminate duplicates Z: 15 11.995 1.886 0.440 0.353 0.929 0.429 CB 1.490 15 residues pruned to eliminate duplicates Z: 15 10.970 1.892 0.391 0.435 0.929 0.643 CB 1.283 15 residues pruned to eliminate duplicates Z: 16 8.196 1.851 0.425 0.333 0.867 0.600 CB 1.111 16 residues pruned to eliminate duplicates Z: 15 10.235 1.910 0.422 0.397 0.857 0.571 CB 1.310 15 residues pruned to eliminate duplicates Z: 15 11.171 1.914 0.388 0.382 0.929 0.643 CB 1.372 15 residues pruned to eliminate duplicates Z: 13 9.909 2.078 0.432 0.341 0.833 0.667 CB 1.372 13 residues pruned to eliminate duplicates Z: 16 7.751 1.903 0.316 0.322 0.867 0.600 CB 1.121 16 residues pruned to eliminate duplicates Z: 19 7.806 1.862 0.524 0.289 0.722 0.556 CB 1.139 19 residues pruned to eliminate duplicates Z: 21 8.629 1.871 0.578 0.282 0.650 0.500 CB 1.286 21 residues pruned to eliminate duplicates Z: 17 9.232 1.905 0.343 0.312 0.812 0.500 CB 1.368 17 residues pruned to eliminate duplicates Z: 11 9.637 1.907 0.704 0.415 0.800 0.300 CA 1.282 11 residues pruned to eliminate duplicates Z: 11 8.201 1.787 0.909 0.302 0.700 0.200 CA 1.355 11 residues pruned to eliminate duplicates Z: 92 45.619 2.063 0.573 0.529 0.945 0.593 CB 1.516 91 residues pruned to eliminate duplicates Z: 9 7.800 1.447 0.741 0.593 0.875 0.500 CA 1.145 9 residues pruned to eliminate duplicates Z: 10 7.672 1.904 0.696 0.361 0.778 0.556 CA 1.183 10 residues pruned to eliminate duplicates Z: 38 28.058 2.020 0.609 0.607 0.865 0.432 CA 1.482 38 residues pruned to eliminate duplicates Z: 23 14.627 2.024 0.292 0.447 0.864 0.545 CA 1.458 23 residues pruned to eliminate duplicates Z: 64 30.727 2.016 0.489 0.520 0.873 0.635 CA 1.448 64 residues pruned to eliminate duplicates Z: 86 42.655 2.047 0.528 0.549 0.929 0.671 CA 1.517 86 residues pruned to eliminate duplicates Z: 39 26.249 2.026 0.376 0.608 1.000 0.658 CA 1.378 39 residues pruned to eliminate duplicates Z: 27 22.672 2.111 0.281 0.702 0.923 0.654 CA 1.482 27 residues pruned to eliminate duplicates Z: 46 26.143 2.024 0.401 0.548 0.889 0.556 CA 1.475 46 residues pruned to eliminate duplicates Z: 29 18.813 2.020 0.347 0.630 0.857 0.429 CA 1.350 29 residues pruned to eliminate duplicates Z: 37 25.301 2.043 0.422 0.591 0.889 0.639 CA 1.496 37 residues pruned to eliminate duplicates Z: 53 26.836 1.975 0.499 0.492 0.904 0.519 CB 1.402 53 residues pruned to eliminate duplicates Z: 57 30.531 1.973 0.529 0.566 0.893 0.536 CA 1.421 57 residues pruned to eliminate duplicates Z: 49 32.238 2.048 0.390 0.642 0.958 0.583 CA 1.494 49 residues pruned to eliminate duplicates Z: 77 35.546 2.044 0.439 0.558 0.882 0.513 CA 1.486 77 residues pruned to eliminate duplicates Z: 56 33.664 2.065 0.500 0.531 0.909 0.582 CB 1.563 56 residues pruned to eliminate duplicates Z: 48 30.181 2.015 0.557 0.529 0.915 0.574 CB 1.491 48 residues pruned to eliminate duplicates Z: 63 32.782 2.017 0.544 0.509 0.903 0.629 CB 1.467 63 residues pruned to eliminate duplicates Z: 74 33.353 2.065 0.327 0.545 0.918 0.644 CA 1.486 74 residues pruned to eliminate duplicates Z: 28 26.960 2.089 0.531 0.697 0.963 0.630 CA 1.406 28 residues pruned to eliminate duplicates Z: 41 31.803 2.064 0.414 0.674 0.975 0.725 CB 1.505 41 residues pruned to eliminate duplicates Z: 63 29.085 2.029 0.401 0.514 0.871 0.565 CB 1.471 63 residues pruned to eliminate duplicates Z: 38 27.870 2.016 0.456 0.547 0.946 0.486 CA 1.576 38 residues pruned to eliminate duplicates Z: 26 30.769 2.136 0.580 0.720 0.960 0.600 CA 1.557 26 residues pruned to eliminate duplicates Z: 54 35.917 2.094 0.482 0.611 0.925 0.642 CB 1.548 54 residues pruned to eliminate duplicates Z: 41 40.220 2.098 0.661 0.698 1.000 0.700 CA 1.523 41 residues pruned to eliminate duplicates Z: 55 34.434 2.019 0.547 0.605 0.926 0.630 CB 1.466 55 residues pruned to eliminate duplicates Z: 32 24.823 2.021 0.505 0.636 0.903 0.581 CA 1.429 32 residues pruned to eliminate duplicates Z: 79 38.819 2.051 0.503 0.539 0.897 0.564 CA 1.530 79 residues pruned to eliminate duplicates Z: 56 33.363 2.070 0.414 0.614 0.927 0.582 CA 1.488 56 residues pruned to eliminate duplicates Z: 79 34.871 1.936 0.583 0.519 0.872 0.513 CA 1.450 79 residues pruned to eliminate duplicates Z: 46 28.564 2.017 0.411 0.568 0.911 0.489 CA 1.538 46 residues pruned to eliminate duplicates Z: 29 27.208 2.048 0.445 0.657 0.964 0.500 CB 1.558 29 residues pruned to eliminate duplicates Z: 78 37.158 2.073 0.448 0.541 0.909 0.532 CA 1.492 78 residues pruned to eliminate duplicates Z: 40 26.279 2.069 0.605 0.462 0.897 0.513 CA 1.468 40 residues pruned to eliminate duplicates Z: 72 36.657 2.037 0.476 0.544 0.930 0.549 CA 1.491 72 residues pruned to eliminate duplicates Z: 73 39.269 2.059 0.499 0.563 0.931 0.556 CB 1.516 73 residues pruned to eliminate duplicates Z: 23 21.041 1.993 0.599 0.558 0.955 0.591 CB 1.394 23 residues pruned to eliminate duplicates Z: 76 40.675 2.045 0.540 0.567 0.933 0.560 CA 1.497 76 residues pruned to eliminate duplicates Z: 55 38.823 2.081 0.526 0.628 0.963 0.556 CB 1.532 55 residues pruned to eliminate duplicates Z: 76 37.224 2.040 0.475 0.547 0.933 0.653 CA 1.461 76 residues pruned to eliminate duplicates Z: 33 36.326 2.108 0.784 0.742 0.938 0.594 CA 1.467 33 residues pruned to eliminate duplicates Z: 47 24.300 2.012 0.485 0.491 0.891 0.630 CB 1.358 47 residues pruned to eliminate duplicates Z: 68 41.206 2.094 0.615 0.562 0.910 0.552 CA 1.540 68 residues pruned to eliminate duplicates Z: 44 26.680 2.063 0.460 0.516 0.930 0.512 CB 1.430 44 residues pruned to eliminate duplicates Z: 68 41.843 2.094 0.611 0.544 0.925 0.537 CA 1.568 68 residues pruned to eliminate duplicates Z: 39 30.542 2.058 0.807 0.462 0.947 0.605 CB 1.462 39 residues pruned to eliminate duplicates Z: 34 17.949 1.978 0.410 0.414 0.909 0.515 CB 1.348 34 residues pruned to eliminate duplicates Z: 27 19.425 2.066 0.518 0.346 0.885 0.462 CB 1.622 27 residues pruned to eliminate duplicates Z: 46 39.610 2.093 0.571 0.689 0.978 0.578 CA 1.544 46 residues pruned to eliminate duplicates Z: 75 41.134 2.046 0.615 0.554 0.905 0.405 CB 1.516 75 residues pruned to eliminate duplicates Z: 24 17.678 1.980 0.516 0.482 0.870 0.565 CB 1.438 24 residues pruned to eliminate duplicates Z: 34 20.905 2.031 0.542 0.383 0.879 0.485 CB 1.498 34 residues pruned to eliminate duplicates Z: 76 39.443 2.055 0.569 0.552 0.907 0.587 CA 1.481 76 residues pruned to eliminate duplicates Z: 77 39.336 2.086 0.586 0.507 0.882 0.474 CA 1.536 77 residues pruned to eliminate duplicates Z: 25 20.934 2.124 0.587 0.358 0.917 0.500 CA 1.612 25 residues pruned to eliminate duplicates Z: 69 37.386 2.053 0.501 0.557 0.912 0.603 CB 1.526 69 residues pruned to eliminate duplicates Z: 39 28.089 2.107 0.566 0.491 0.921 0.605 CB 1.513 39 residues pruned to eliminate duplicates Z: 57 35.567 2.080 0.622 0.575 0.893 0.482 CA 1.468 57 residues pruned to eliminate duplicates Z: 18 15.797 2.068 0.627 0.421 0.765 0.412 CB 1.616 18 residues pruned to eliminate duplicates Z: 69 37.952 2.093 0.550 0.534 0.897 0.500 CA 1.530 69 residues pruned to eliminate duplicates Z: 26 17.352 2.068 0.543 0.319 0.840 0.440 CA 1.580 26 residues pruned to eliminate duplicates Z: 81 36.389 2.040 0.525 0.506 0.900 0.525 CA 1.445 81 residues pruned to eliminate duplicates Z: 28 13.231 1.870 0.432 0.383 0.778 0.444 CB 1.384 28 residues pruned to eliminate duplicates Z: 47 28.850 2.014 0.622 0.500 0.935 0.522 CB 1.393 47 residues pruned to eliminate duplicates Z: 47 28.180 2.037 0.549 0.502 0.913 0.565 CB 1.440 47 residues pruned to eliminate duplicates Z: 25 19.816 2.091 0.537 0.375 0.917 0.417 CA 1.568 25 residues pruned to eliminate duplicates Z: 27 18.378 1.961 0.648 0.416 0.923 0.500 CB 1.318 27 residues pruned to eliminate duplicates Z: 41 25.783 2.051 0.538 0.464 0.950 0.525 CB 1.411 41 residues pruned to eliminate duplicates Z: 27 16.713 1.962 0.554 0.391 0.808 0.577 CB 1.494 27 residues pruned to eliminate duplicates Z: 9 13.239 1.817 0.713 0.826 0.875 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 26 14.655 1.944 0.384 0.391 0.840 0.440 CB 1.455 26 residues pruned to eliminate duplicates Z: 63 37.068 2.038 0.672 0.548 0.903 0.516 CA 1.461 63 residues pruned to eliminate duplicates Z: 26 11.393 1.860 0.449 0.389 0.760 0.480 CA 1.251 26 residues pruned to eliminate duplicates Z: 34 22.217 1.994 0.618 0.430 0.909 0.455 CA 1.418 34 residues pruned to eliminate duplicates Z: 47 31.495 2.042 0.622 0.503 0.957 0.565 CA 1.461 53 residues pruned to eliminate duplicates Z: 6 4.749 1.473 0.897 0.264 1.000 0.800 CB 0.994 5 residues pruned to eliminate duplicates Z: 6 6.751 1.888 0.484 0.464 1.000 0.600 CA 1.118 6 residues pruned to eliminate duplicates Z: 42 19.680 1.961 0.403 0.444 0.854 0.537 CB 1.385 42 residues pruned to eliminate duplicates Z: 11 21.255 2.195 0.724 0.647 1.000 0.500 CB 1.548 11 residues pruned to eliminate duplicates Z: 22 20.393 2.054 0.393 0.581 0.952 0.571 CB 1.512 22 residues pruned to eliminate duplicates Z: 24 24.694 2.040 0.618 0.595 1.000 0.609 CA 1.425 24 residues pruned to eliminate duplicates Z: 9 7.799 1.826 0.384 0.528 0.750 0.500 CB 1.415 9 residues pruned to eliminate duplicates Z: 42 20.603 1.922 0.472 0.396 0.854 0.585 CB 1.488 42 residues pruned to eliminate duplicates Z: 16 9.918 1.899 0.375 0.297 0.867 0.400 CB 1.419 16 residues pruned to eliminate duplicates Z: 19 8.124 1.746 0.566 0.288 0.722 0.444 CB 1.230 19 residues pruned to eliminate duplicates Z: 23 14.035 1.959 0.338 0.452 0.909 0.727 CB 1.318 23 residues pruned to eliminate duplicates Z: 16 9.987 1.885 0.305 0.301 0.933 0.600 CB 1.402 16 residues pruned to eliminate duplicates Z: 16 11.645 1.934 0.424 0.371 0.800 0.733 CB 1.567 16 residues pruned to eliminate duplicates Z: 20 10.568 1.775 0.377 0.314 0.895 0.474 CB 1.363 20 residues pruned to eliminate duplicates Z: 14 8.783 1.747 0.557 0.376 0.692 0.385 CB 1.478 14 residues pruned to eliminate duplicates Z: 21 12.771 1.889 0.318 0.436 0.800 0.550 CB 1.533 21 residues pruned to eliminate duplicates Z: 21 17.246 1.876 0.545 0.405 0.950 0.450 CB 1.547 21 residues pruned to eliminate duplicates Z: 31 18.081 1.952 0.490 0.428 0.833 0.567 CB 1.467 31 residues pruned to eliminate duplicates Z: 24 17.845 1.934 0.341 0.655 0.870 0.652 CA 1.429 24 residues pruned to eliminate duplicates Z: 25 13.715 2.002 0.186 0.389 0.875 0.458 CB 1.515 25 residues pruned to eliminate duplicates Z: 20 15.263 1.903 0.399 0.479 0.895 0.526 CB 1.501 20 residues pruned to eliminate duplicates Z: 19 15.211 1.950 0.432 0.400 0.889 0.556 CA 1.605 19 residues pruned to eliminate duplicates Z: 18 9.650 1.782 0.478 0.315 0.765 0.353 CB 1.426 18 residues pruned to eliminate duplicates Z: 39 17.571 1.958 0.363 0.358 0.895 0.395 CB 1.391 39 residues pruned to eliminate duplicates Z: 33 18.748 1.920 0.553 0.349 0.906 0.500 CB 1.444 33 residues pruned to eliminate duplicates Z: 62 26.595 2.016 0.495 0.389 0.885 0.574 CB 1.437 62 residues pruned to eliminate duplicates Z: 11 5.001 2.010 0.248 0.214 0.600 0.200 CB 1.473 11 residues pruned to eliminate duplicates Z: 22 11.951 1.935 0.413 0.344 0.857 0.429 CB 1.319 22 residues pruned to eliminate duplicates Z: 18 7.243 1.845 0.411 0.228 0.706 0.294 CB 1.313 18 residues pruned to eliminate duplicates Z: 35 17.044 1.971 0.526 0.356 0.824 0.529 CB 1.379 35 residues pruned to eliminate duplicates Z: 32 15.310 1.960 0.426 0.350 0.903 0.419 CB 1.281 32 residues pruned to eliminate duplicates Z: 33 15.904 1.940 0.402 0.386 0.906 0.500 CB 1.287 33 residues pruned to eliminate duplicates Z: 20 10.514 1.979 0.282 0.327 0.789 0.316 CB 1.456 20 residues pruned to eliminate duplicates Z: 14 11.053 2.003 0.355 0.460 0.846 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 13 8.947 2.036 0.381 0.402 0.750 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 36 17.364 1.952 0.439 0.320 0.886 0.457 CB 1.437 36 residues pruned to eliminate duplicates Z: 22 10.250 1.944 0.358 0.336 0.810 0.524 CB 1.252 22 residues pruned to eliminate duplicates Z: 13 12.450 2.040 0.369 0.398 0.917 0.417 CB 1.563 13 residues pruned to eliminate duplicates Z: 14 8.509 1.930 0.315 0.278 0.846 0.231 N 1.412 14 residues pruned to eliminate duplicates Z: 11 10.988 2.142 0.315 0.390 0.900 0.500 CA 1.541 11 residues pruned to eliminate duplicates Z: 33 15.494 1.888 0.547 0.316 0.875 0.375 CB 1.314 33 residues pruned to eliminate duplicates Z: 37 15.626 2.011 0.402 0.319 0.861 0.444 CB 1.309 37 residues pruned to eliminate duplicates Z: 43 18.379 1.907 0.432 0.365 0.881 0.429 CB 1.363 43 residues pruned to eliminate duplicates Z: 28 11.160 1.927 0.272 0.318 0.815 0.333 CB 1.314 28 residues pruned to eliminate duplicates Z: 46 19.900 1.992 0.547 0.360 0.867 0.422 CB 1.292 46 residues pruned to eliminate duplicates Z: 30 14.143 2.019 0.339 0.375 0.828 0.379 CB 1.341 30 residues pruned to eliminate duplicates Z: 6 4.831 1.962 0.288 0.354 1.000 0.400 CA 1.001 6 residues pruned to eliminate duplicates Z: 18 9.407 1.977 0.260 0.405 0.765 0.529 CB 1.323 18 residues pruned to eliminate duplicates Z: 28 13.825 2.084 0.391 0.365 0.741 0.593 CB 1.433 28 residues pruned to eliminate duplicates Z: 16 7.897 1.963 0.311 0.413 0.733 0.467 CB 1.183 16 residues pruned to eliminate duplicates Z: 29 11.878 2.043 0.277 0.367 0.714 0.357 CB 1.389 29 residues pruned to eliminate duplicates Z: 27 13.291 2.013 0.278 0.402 0.769 0.462 CB 1.460 27 residues pruned to eliminate duplicates Z: 29 15.651 2.052 0.284 0.403 0.821 0.464 CB 1.514 29 residues pruned to eliminate duplicates Z: 16 9.819 2.005 0.240 0.417 0.800 0.533 CA 1.389 16 residues pruned to eliminate duplicates Z: 16 8.125 1.930 0.208 0.436 0.733 0.333 CB 1.310 16 residues pruned to eliminate duplicates Z: 16 8.469 1.992 0.241 0.382 0.800 0.467 CB 1.253 16 residues pruned to eliminate duplicates Z: 16 9.927 1.955 0.345 0.383 0.800 0.400 CA 1.381 16 residues pruned to eliminate duplicates Z: 17 8.185 1.995 0.219 0.385 0.688 0.562 CB 1.383 17 residues pruned to eliminate duplicates Z: 22 12.798 2.065 0.252 0.386 0.762 0.429 CB 1.599 22 residues pruned to eliminate duplicates Z: 49 26.656 2.053 0.425 0.493 0.833 0.625 CB 1.589 49 residues pruned to eliminate duplicates Z: 24 14.423 2.051 0.507 0.310 0.783 0.478 CB 1.536 24 residues pruned to eliminate duplicates Z: 20 8.760 2.010 0.238 0.244 0.684 0.368 CB 1.586 20 residues pruned to eliminate duplicates Z: 42 25.709 2.095 0.427 0.463 0.878 0.488 CB 1.587 42 residues pruned to eliminate duplicates Z: 28 16.121 2.017 0.543 0.315 0.778 0.444 CB 1.573 28 residues pruned to eliminate duplicates Z: 14 8.868 1.884 0.427 0.279 0.769 0.308 C 1.527 14 residues pruned to eliminate duplicates Z: 49 27.467 2.032 0.405 0.516 0.854 0.542 CB 1.601 49 residues pruned to eliminate duplicates Z: 46 30.343 2.092 0.472 0.503 0.889 0.578 CB 1.647 46 residues pruned to eliminate duplicates Z: 27 30.844 2.037 0.650 0.704 0.962 0.808 CA 1.555 27 residues pruned to eliminate duplicates Z: 61 31.511 2.033 0.409 0.508 0.900 0.567 CB 1.565 61 residues pruned to eliminate duplicates Z: 45 24.426 2.071 0.359 0.503 0.818 0.591 CB 1.594 45 residues pruned to eliminate duplicates Z: 27 22.390 2.013 0.318 0.650 0.962 0.846 CA 1.497 27 residues pruned to eliminate duplicates Z: 32 26.138 2.065 0.498 0.614 0.806 0.645 CA 1.689 32 residues pruned to eliminate duplicates Z: 54 35.312 2.107 0.574 0.521 0.943 0.566 CB 1.519 74 residues pruned to eliminate duplicates Z: 18 27.744 2.201 0.615 0.803 1.000 0.706 CB 1.453 18 residues pruned to eliminate duplicates Z: 31 28.979 2.069 0.499 0.608 0.933 0.600 CA 1.649 31 residues pruned to eliminate duplicates Z: 27 27.020 2.050 0.489 0.665 0.962 0.654 CB 1.551 27 residues pruned to eliminate duplicates Z: 29 26.678 2.005 0.433 0.647 1.000 0.643 CB 1.530 29 residues pruned to eliminate duplicates Z: 22 29.374 2.077 0.627 0.745 1.000 0.762 CB 1.524 22 residues pruned to eliminate duplicates Z: 41 28.300 2.072 0.580 0.462 0.875 0.550 CB 1.623 41 residues pruned to eliminate duplicates Z: 27 27.699 2.063 0.509 0.695 0.962 0.731 CB 1.519 27 residues pruned to eliminate duplicates Z: 22 24.700 2.092 0.611 0.712 0.857 0.714 CB 1.540 22 residues pruned to eliminate duplicates Z: 28 18.407 2.018 0.277 0.605 0.852 0.481 CB 1.460 28 residues pruned to eliminate duplicates Z: 27 26.237 2.011 0.482 0.694 0.962 0.731 CB 1.504 27 residues pruned to eliminate duplicates Z: 36 25.703 2.009 0.588 0.617 0.886 0.514 CB 1.375 36 residues pruned to eliminate duplicates Z: 24 26.937 2.105 0.459 0.702 0.957 0.652 CB 1.590 24 residues pruned to eliminate duplicates Z: 20 22.682 2.109 0.580 0.718 0.895 0.526 CB 1.433 20 residues pruned to eliminate duplicates Z: 25 27.347 2.119 0.577 0.707 0.917 0.667 CB 1.510 25 residues pruned to eliminate duplicates Z: 25 32.543 2.054 0.706 0.673 1.000 0.500 CB 1.616 25 residues pruned to eliminate duplicates Z: 28 22.422 2.034 0.524 0.602 0.926 0.370 CB 1.364 28 residues pruned to eliminate duplicates Z: 27 26.004 2.039 0.704 0.682 0.846 0.423 CB 1.467 27 residues pruned to eliminate duplicates Z: 8 13.217 1.794 0.931 0.733 0.857 0.429 CB 1.365 8 residues pruned to eliminate duplicates Z: 52 22.607 2.012 0.476 0.459 0.784 0.431 CB 1.418 52 residues pruned to eliminate duplicates Z: 11 6.334 1.780 0.361 0.350 0.700 0.400 CB 1.389 11 residues pruned to eliminate duplicates Z: 33 25.497 2.141 0.592 0.455 0.938 0.594 CB 1.476 33 residues pruned to eliminate duplicates Z: 20 15.141 1.976 0.732 0.343 0.842 0.368 CB 1.429 20 residues pruned to eliminate duplicates Z: 35 24.252 2.112 0.556 0.493 0.912 0.588 CB 1.398 35 residues pruned to eliminate duplicates Z: 18 16.433 2.068 0.500 0.400 0.941 0.529 CB 1.517 18 residues pruned to eliminate duplicates Z: 57 37.164 2.134 0.598 0.537 0.893 0.589 CB 1.572 57 residues pruned to eliminate duplicates Z: 32 22.453 2.167 0.554 0.459 0.839 0.613 CB 1.489 32 residues pruned to eliminate duplicates Z: 32 25.422 2.181 0.712 0.440 0.903 0.581 CB 1.440 32 residues pruned to eliminate duplicates Z: 18 16.284 2.099 0.734 0.377 0.882 0.471 CB 1.402 18 residues pruned to eliminate duplicates Z: 33 25.113 2.142 0.554 0.489 0.906 0.594 CB 1.488 33 residues pruned to eliminate duplicates Z: 12 13.502 2.156 0.774 0.315 1.000 0.545 CB 1.307 12 residues pruned to eliminate duplicates Z: 34 24.770 2.150 0.558 0.454 0.879 0.515 CB 1.536 34 residues pruned to eliminate duplicates Z: 13 8.973 2.079 0.588 0.229 0.750 0.333 CA 1.435 13 residues pruned to eliminate duplicates Z: 34 27.621 2.141 0.606 0.472 0.939 0.606 CB 1.532 34 residues pruned to eliminate duplicates Z: 28 28.646 2.195 0.837 0.491 0.926 0.630 CB 1.490 28 residues pruned to eliminate duplicates Z: 21 16.562 2.183 0.717 0.278 0.850 0.500 CB 1.495 21 residues pruned to eliminate duplicates Z: 37 25.164 2.108 0.742 0.389 0.861 0.528 CB 1.492 37 residues pruned to eliminate duplicates Z: 29 21.151 2.161 0.471 0.418 0.929 0.607 CB 1.475 29 residues pruned to eliminate duplicates Z: 33 27.244 2.167 0.651 0.439 0.906 0.562 CB 1.582 33 residues pruned to eliminate duplicates Z: 6 6.769 1.635 0.640 0.452 1.000 1.000 CB 1.186 6 residues pruned to eliminate duplicates Z: 33 21.829 2.079 0.683 0.371 0.844 0.531 CB 1.502 33 residues pruned to eliminate duplicates Z: 26 25.105 2.233 0.653 0.433 0.960 0.560 CB 1.518 26 residues pruned to eliminate duplicates Z: 9 16.220 1.938 0.664 0.853 1.000 0.750 CA 1.314 9 residues pruned to eliminate duplicates Z: 8 17.049 1.992 0.690 0.864 1.000 0.429 CA 1.403 8 residues pruned to eliminate duplicates Z: 23 22.832 2.168 0.528 0.485 0.909 0.500 CA 1.641 23 residues pruned to eliminate duplicates Z: 10 11.615 1.767 0.733 0.679 0.778 0.556 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 18.050 1.974 0.747 0.847 1.000 0.625 CA 1.373 9 residues pruned to eliminate duplicates Z: 8 15.766 1.972 0.649 0.851 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 30 16.199 1.992 0.508 0.310 0.862 0.448 CA 1.434 48 residues pruned to eliminate duplicates Z: 6 3.036 1.691 0.050 0.324 0.800 0.200 CB 1.160 6 residues pruned to eliminate duplicates Z: 29 15.088 2.027 0.347 0.343 0.857 0.571 CB 1.446 29 residues pruned to eliminate duplicates Z: 9 8.312 2.199 0.609 0.189 0.875 0.375 CB 1.378 9 residues pruned to eliminate duplicates Z: 7 5.251 2.196 0.412 0.224 0.667 0.500 CB 1.432 7 residues pruned to eliminate duplicates Z: 9 5.471 1.901 0.594 0.220 0.750 0.500 CA 1.182 9 residues pruned to eliminate duplicates Z: 28 14.253 2.059 0.446 0.316 0.815 0.556 CA 1.386 28 residues pruned to eliminate duplicates Z: 30 13.497 2.031 0.355 0.291 0.793 0.448 CB 1.452 30 residues pruned to eliminate duplicates Z: 31 13.217 1.980 0.394 0.283 0.800 0.533 CA 1.396 31 residues pruned to eliminate duplicates Z: 31 13.176 1.996 0.325 0.304 0.767 0.633 CA 1.475 31 residues pruned to eliminate duplicates Z: 17 11.666 2.182 0.504 0.348 0.750 0.500 CA 1.397 17 residues pruned to eliminate duplicates Z: 29 12.204 2.040 0.384 0.296 0.714 0.500 CB 1.438 29 residues pruned to eliminate duplicates Z: 22 9.889 1.955 0.252 0.364 0.762 0.476 CA 1.340 22 residues pruned to eliminate duplicates Z: 30 13.352 2.015 0.370 0.296 0.793 0.448 CA 1.423 30 residues pruned to eliminate duplicates Z: 18 12.697 2.024 0.353 0.446 0.824 0.471 CA 1.443 18 residues pruned to eliminate duplicates Z: 29 12.641 2.065 0.493 0.302 0.714 0.464 CB 1.353 29 residues pruned to eliminate duplicates Z: 25 12.668 2.095 0.435 0.289 0.750 0.500 CB 1.453 25 residues pruned to eliminate duplicates Z: 48 21.951 1.973 0.484 0.396 0.851 0.553 CA 1.434 48 residues pruned to eliminate duplicates Z: 33 13.913 2.014 0.288 0.329 0.812 0.375 CB 1.407 33 residues pruned to eliminate duplicates Z: 20 11.825 1.891 0.526 0.334 0.789 0.421 CB 1.428 20 residues pruned to eliminate duplicates Z: 18 11.992 1.976 0.379 0.437 0.824 0.471 CB 1.383 18 residues pruned to eliminate duplicates Z: 10 4.468 1.690 0.390 0.367 0.556 0.333 CA 1.315 10 residues pruned to eliminate duplicates Z: 24 15.422 1.956 0.445 0.452 0.826 0.478 CB 1.447 24 residues pruned to eliminate duplicates Z: 26 16.673 2.026 0.420 0.350 0.920 0.480 CA 1.482 29 residues pruned to eliminate duplicates Z: 6 4.880 1.848 0.363 0.497 0.800 0.400 CA 1.086 6 residues pruned to eliminate duplicates Z: 75 21.842 2.007 0.409 0.315 0.784 0.459 CB 1.406 75 residues pruned to eliminate duplicates Z: 22 15.039 1.915 0.480 0.435 0.857 0.524 CB 1.445 22 residues pruned to eliminate duplicates Z: 38 22.179 1.979 0.488 0.436 0.865 0.459 CA 1.529 38 residues pruned to eliminate duplicates Z: 49 19.710 1.995 0.477 0.362 0.812 0.417 CB 1.378 46 residues pruned to eliminate duplicates Z: 6 4.574 1.527 0.509 0.448 0.800 0.400 CA 1.171 6 residues pruned to eliminate duplicates Z: 19 15.680 2.006 0.477 0.495 0.889 0.556 CB 1.410 19 residues pruned to eliminate duplicates Z: 21 14.057 1.970 0.403 0.458 0.800 0.500 CA 1.485 21 residues pruned to eliminate duplicates Z: 26 11.438 1.865 0.226 0.410 0.880 0.520 CB 1.250 26 residues pruned to eliminate duplicates Z: 31 15.670 1.897 0.453 0.397 0.833 0.533 CB 1.389 31 residues pruned to eliminate duplicates Z: 25 15.231 1.890 0.475 0.425 0.875 0.500 CB 1.378 25 residues pruned to eliminate duplicates Z: 39 20.581 1.951 0.418 0.415 0.868 0.553 CB 1.519 39 residues pruned to eliminate duplicates Z: 6 6.803 2.072 0.696 0.594 0.800 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 6 3.647 2.004 0.449 0.375 0.600 0.400 CB 1.069 6 residues pruned to eliminate duplicates Z: 22 14.961 1.968 0.462 0.397 0.905 0.524 CB 1.399 22 residues pruned to eliminate duplicates Z: 51 18.359 1.981 0.505 0.319 0.800 0.460 CB 1.329 51 residues pruned to eliminate duplicates Z: 46 21.039 2.035 0.410 0.390 0.822 0.578 CB 1.494 46 residues pruned to eliminate duplicates Z: 39 19.029 2.013 0.393 0.385 0.895 0.553 CB 1.389 39 residues pruned to eliminate duplicates Z: 19 13.210 2.006 0.508 0.386 0.778 0.444 CB 1.493 19 residues pruned to eliminate duplicates Z: 27 13.460 1.950 0.386 0.319 0.885 0.500 CB 1.349 27 residues pruned to eliminate duplicates Z: 48 19.927 1.953 0.417 0.398 0.830 0.596 CB 1.411 48 residues pruned to eliminate duplicates Z: 27 14.097 2.064 0.360 0.371 0.808 0.500 CB 1.400 27 residues pruned to eliminate duplicates Z: 49 22.899 1.987 0.569 0.350 0.833 0.500 CB 1.497 49 residues pruned to eliminate duplicates Z: 19 12.214 1.959 0.528 0.402 0.778 0.611 CB 1.372 19 residues pruned to eliminate duplicates Z: 19 14.381 2.053 0.499 0.420 0.833 0.500 CB 1.437 19 residues pruned to eliminate duplicates Z: 18 13.954 2.062 0.430 0.436 0.824 0.529 CB 1.488 18 residues pruned to eliminate duplicates Z: 37 18.677 2.011 0.424 0.380 0.833 0.500 CB 1.483 37 residues pruned to eliminate duplicates Z: 45 17.987 1.940 0.487 0.347 0.818 0.545 CB 1.356 45 residues pruned to eliminate duplicates Z: 24 18.335 2.058 0.630 0.423 0.870 0.652 CB 1.419 24 residues pruned to eliminate duplicates Z: 18 16.304 2.000 0.506 0.454 0.941 0.471 CB 1.462 18 residues pruned to eliminate duplicates Z: 27 17.129 2.008 0.524 0.355 0.885 0.577 CB 1.452 27 residues pruned to eliminate duplicates Z: 28 17.662 1.966 0.710 0.396 0.815 0.556 CB 1.385 28 residues pruned to eliminate duplicates Z: 54 24.808 1.919 0.566 0.399 0.868 0.509 CB 1.454 54 residues pruned to eliminate duplicates Z: 9 11.722 2.144 0.531 0.405 0.875 0.375 CB 1.595 9 residues pruned to eliminate duplicates Z: 33 17.926 1.901 0.556 0.378 0.875 0.438 CB 1.395 33 residues pruned to eliminate duplicates Z: 15 7.221 1.718 0.681 0.264 0.714 0.429 CB 1.225 15 residues pruned to eliminate duplicates Z: 11 8.018 1.997 0.431 0.315 0.800 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 83 48.657 2.158 0.618 0.585 0.927 0.622 CB 1.531 83 residues pruned to eliminate duplicates Z: 84 49.369 2.138 0.655 0.563 0.952 0.566 CB 1.514 84 residues pruned to eliminate duplicates Z: 85 46.894 2.162 0.580 0.578 0.929 0.595 CB 1.496 85 residues pruned to eliminate duplicates Z: 78 46.163 2.170 0.734 0.554 0.896 0.649 CB 1.481 78 residues pruned to eliminate duplicates Z: 47 37.696 2.103 0.647 0.707 0.935 0.739 CA 1.423 47 residues pruned to eliminate duplicates Z: 65 48.227 2.168 0.733 0.599 0.969 0.688 CB 1.507 65 residues pruned to eliminate duplicates Z: 31 38.946 2.133 0.937 0.728 0.967 0.767 CA 1.449 31 residues pruned to eliminate duplicates Z: 73 49.944 2.150 0.786 0.579 0.944 0.653 CB 1.504 73 residues pruned to eliminate duplicates Z: 74 51.646 2.153 0.764 0.615 0.932 0.699 CA 1.532 74 residues pruned to eliminate duplicates Z: 86 42.250 2.094 0.571 0.525 0.906 0.600 CB 1.499 86 residues pruned to eliminate duplicates Z: 76 41.120 2.131 0.518 0.581 0.907 0.600 CB 1.498 76 residues pruned to eliminate duplicates Z: 73 46.414 2.142 0.662 0.600 0.958 0.611 CB 1.458 73 residues pruned to eliminate duplicates Z: 45 37.810 2.144 0.683 0.675 0.932 0.795 CA 1.443 45 residues pruned to eliminate duplicates Z: 81 51.935 2.154 0.689 0.590 0.950 0.550 CB 1.541 81 residues pruned to eliminate duplicates Z: 34 37.266 2.154 0.764 0.663 0.970 0.545 CA 1.513 34 residues pruned to eliminate duplicates Z: 28 42.619 2.190 0.848 0.810 1.000 0.778 CA 1.548 28 residues pruned to eliminate duplicates Z: 29 37.827 2.202 0.752 0.743 1.000 0.821 CA 1.491 29 residues pruned to eliminate duplicates Z: 46 41.751 2.126 0.730 0.700 0.956 0.689 CA 1.476 46 residues pruned to eliminate duplicates Z: 47 38.839 2.057 0.866 0.578 0.935 0.652 CA 1.481 47 residues pruned to eliminate duplicates Z: 46 44.745 2.149 0.771 0.675 1.000 0.667 CB 1.492 46 residues pruned to eliminate duplicates Z: 41 29.403 2.068 0.702 0.555 0.900 0.600 CA 1.390 41 residues pruned to eliminate duplicates Z: 84 49.115 2.151 0.661 0.564 0.940 0.602 CB 1.509 84 residues pruned to eliminate duplicates Z: 98 51.347 2.132 0.660 0.564 0.938 0.639 CB 1.476 98 residues pruned to eliminate duplicates Z: 53 42.190 2.149 0.781 0.608 0.923 0.538 CB 1.494 53 residues pruned to eliminate duplicates Z: 71 53.381 2.187 0.719 0.625 0.957 0.614 CB 1.577 71 residues pruned to eliminate duplicates Z: 32 36.309 2.173 0.840 0.656 0.935 0.806 CA 1.508 32 residues pruned to eliminate duplicates Z: 63 47.633 2.166 0.680 0.590 0.968 0.645 CA 1.576 63 residues pruned to eliminate duplicates Z: 70 50.496 2.194 0.668 0.618 0.942 0.536 CB 1.577 70 residues pruned to eliminate duplicates Z: 96 50.375 2.147 0.632 0.564 0.916 0.579 CB 1.514 96 residues pruned to eliminate duplicates Z: 32 42.564 2.171 0.955 0.721 1.000 0.742 CA 1.475 32 residues pruned to eliminate duplicates Z: 45 37.462 2.132 0.630 0.669 0.977 0.636 CA 1.423 45 residues pruned to eliminate duplicates Z: 73 49.780 2.163 0.677 0.608 0.944 0.639 CB 1.546 73 residues pruned to eliminate duplicates Z: 39 39.662 2.153 0.671 0.680 1.000 0.684 CB 1.515 39 residues pruned to eliminate duplicates Z: 46 39.880 2.170 0.657 0.697 0.956 0.644 CB 1.445 46 residues pruned to eliminate duplicates Z: 39 41.389 2.173 0.837 0.672 0.974 0.684 CA 1.474 39 residues pruned to eliminate duplicates Z: 72 53.184 2.191 0.740 0.614 0.972 0.592 CB 1.529 72 residues pruned to eliminate duplicates Z: 83 48.971 2.154 0.723 0.584 0.902 0.512 CB 1.489 83 residues pruned to eliminate duplicates Z: 13 13.801 2.042 0.153 0.847 1.000 0.750 CA 1.256 13 residues pruned to eliminate duplicates Z: 83 50.459 2.157 0.660 0.584 0.951 0.537 CB 1.510 83 residues pruned to eliminate duplicates Z: 63 49.397 2.178 0.793 0.589 0.952 0.532 CB 1.550 63 residues pruned to eliminate duplicates Z: 66 49.902 2.200 0.717 0.569 1.000 0.600 CA 1.532 66 residues pruned to eliminate duplicates Z: 84 50.199 2.145 0.710 0.574 0.940 0.566 CB 1.489 84 residues pruned to eliminate duplicates Z: 54 35.539 2.092 0.542 0.628 0.962 0.566 CB 1.394 54 residues pruned to eliminate duplicates Z: 73 54.357 2.181 0.761 0.613 0.972 0.681 CB 1.542 73 residues pruned to eliminate duplicates Z: 89 49.571 2.137 0.687 0.549 0.920 0.591 CB 1.518 89 residues pruned to eliminate duplicates Z: 73 52.793 2.139 0.778 0.611 0.958 0.556 CB 1.537 73 residues pruned to eliminate duplicates Z: 75 53.900 2.162 0.764 0.607 0.973 0.649 CB 1.526 75 residues pruned to eliminate duplicates Z: 83 45.807 2.164 0.648 0.553 0.902 0.561 CB 1.493 83 residues pruned to eliminate duplicates Z: 73 51.813 2.177 0.737 0.600 0.931 0.528 CB 1.577 73 residues pruned to eliminate duplicates Z: 50 38.956 2.145 0.590 0.643 0.959 0.490 CB 1.489 50 residues pruned to eliminate duplicates Z: 71 49.808 2.201 0.702 0.613 0.929 0.486 CB 1.537 71 residues pruned to eliminate duplicates Z: 79 44.357 2.079 0.712 0.548 0.910 0.526 CB 1.480 79 residues pruned to eliminate duplicates Z: 21 20.276 2.090 0.910 0.334 0.950 0.500 CB 1.433 21 residues pruned to eliminate duplicates Z: 36 28.642 2.137 0.829 0.469 0.886 0.486 CB 1.444 36 residues pruned to eliminate duplicates Z: 32 24.752 2.194 0.685 0.473 0.839 0.548 CB 1.475 32 residues pruned to eliminate duplicates Z: 70 49.034 2.208 0.705 0.594 0.928 0.507 CB 1.545 70 residues pruned to eliminate duplicates Z: 72 54.291 2.189 0.841 0.615 0.958 0.563 CB 1.498 72 residues pruned to eliminate duplicates Z: 74 54.151 2.173 0.855 0.603 0.932 0.603 CB 1.530 74 residues pruned to eliminate duplicates Z: 36 31.917 2.194 0.759 0.488 0.971 0.400 CB 1.456 36 residues pruned to eliminate duplicates Z: 74 42.484 2.096 0.664 0.552 0.932 0.534 CB 1.455 74 residues pruned to eliminate duplicates Z: 82 49.931 2.153 0.715 0.574 0.938 0.531 CB 1.491 82 residues pruned to eliminate duplicates Z: 70 52.334 2.177 0.757 0.625 0.957 0.609 CB 1.530 70 residues pruned to eliminate duplicates Z: 33 23.868 2.006 0.736 0.424 0.906 0.469 CA 1.447 33 residues pruned to eliminate duplicates Z: 43 33.858 2.099 0.686 0.577 0.929 0.524 CB 1.476 43 residues pruned to eliminate duplicates Z: 43 27.913 2.102 0.635 0.510 0.833 0.381 CB 1.488 43 residues pruned to eliminate duplicates Z: 45 34.578 2.128 0.763 0.536 0.909 0.523 CB 1.475 45 residues pruned to eliminate duplicates Z: 22 18.869 2.078 0.633 0.484 0.857 0.429 CB 1.439 22 residues pruned to eliminate duplicates Z: 18 16.974 1.888 0.841 0.583 0.765 0.471 CB 1.429 18 residues pruned to eliminate duplicates Z: 73 52.423 2.174 0.818 0.585 0.944 0.500 CB 1.525 73 residues pruned to eliminate duplicates Z: 13 16.168 2.025 0.689 0.702 0.833 0.750 CA 1.362 13 residues pruned to eliminate duplicates Z: 29 27.626 2.169 0.741 0.476 0.929 0.571 CB 1.526 29 residues pruned to eliminate duplicates Z: 14 26.046 1.993 1.075 0.726 1.000 0.769 CA 1.425 14 residues pruned to eliminate duplicates Z: 14 28.528 2.085 1.080 0.725 1.000 0.692 CA 1.489 14 residues pruned to eliminate duplicates Z: 44 31.476 2.110 0.657 0.522 0.907 0.465 CB 1.480 44 residues pruned to eliminate duplicates Z: 84 49.084 2.131 0.716 0.575 0.952 0.554 CB 1.440 84 residues pruned to eliminate duplicates Z: 15 17.031 1.998 0.699 0.537 0.929 0.571 CA 1.393 15 residues pruned to eliminate duplicates Z: 8 10.762 1.951 0.940 0.430 1.000 0.429 CB 1.155 8 residues pruned to eliminate duplicates Z: 43 29.046 2.071 0.704 0.467 0.929 0.595 CA 1.414 42 residues pruned to eliminate duplicates Z: 6 2.495 1.724 -0.074 0.306 0.800 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 9 9.632 1.960 0.811 0.418 0.875 0.375 CB 1.194 8 residues pruned to eliminate duplicates Z: 7 3.223 1.666 0.197 0.412 0.833 0.500 CA 0.869 7 residues pruned to eliminate duplicates Z: 21 18.539 2.064 0.828 0.382 0.900 0.450 CA 1.385 23 residues pruned to eliminate duplicates Z: 6 7.221 1.459 1.613 0.419 1.000 0.600 CA 0.922 6 residues pruned to eliminate duplicates Z: 32 28.027 1.982 0.932 0.489 0.935 0.516 CA 1.421 22 residues pruned to eliminate duplicates Z: 6 3.816 1.521 0.553 0.431 0.800 0.400 CA 0.970 Z: 57 38.904 1.977 0.566 0.664 0.982 0.696 CA 1.470 47 residues pruned to eliminate duplicates Z: 50 26.651 2.009 0.632 0.434 0.939 0.592 CA 1.325 50 residues pruned to eliminate duplicates Z: 48 33.682 2.050 0.855 0.478 0.936 0.596 CA 1.411 48 residues pruned to eliminate duplicates Z: 50 29.243 1.998 0.694 0.511 0.898 0.612 CA 1.360 50 residues pruned to eliminate duplicates Z: 57 39.551 2.004 0.790 0.582 0.946 0.625 CB 1.439 57 residues pruned to eliminate duplicates Z: 57 35.161 2.057 0.735 0.505 0.893 0.625 CB 1.468 57 residues pruned to eliminate duplicates Z: 34 33.015 2.035 0.601 0.710 1.000 0.879 CA 1.458 34 residues pruned to eliminate duplicates Z: 35 31.682 2.051 0.700 0.642 0.941 0.765 CA 1.449 35 residues pruned to eliminate duplicates Z: 40 25.189 1.955 0.504 0.624 0.923 0.744 CA 1.322 40 residues pruned to eliminate duplicates Z: 64 36.281 2.022 0.635 0.549 0.873 0.619 CA 1.509 64 residues pruned to eliminate duplicates Z: 35 31.265 2.035 0.673 0.647 0.971 0.765 CA 1.415 35 residues pruned to eliminate duplicates Z: 56 41.814 2.066 0.755 0.548 0.964 0.655 CA 1.540 56 residues pruned to eliminate duplicates Z: 40 31.719 1.963 0.684 0.576 0.949 0.718 CB 1.504 40 residues pruned to eliminate duplicates Z: 31 31.405 2.002 0.782 0.641 0.933 0.633 CA 1.510 31 residues pruned to eliminate duplicates Z: 35 33.803 2.066 0.627 0.650 0.941 0.765 CA 1.594 35 residues pruned to eliminate duplicates Z: 34 31.601 2.016 0.703 0.692 0.909 0.636 CA 1.478 34 residues pruned to eliminate duplicates Z: 32 32.438 2.060 0.706 0.711 0.903 0.677 CA 1.515 32 residues pruned to eliminate duplicates Z: 48 32.527 2.050 0.742 0.493 0.915 0.574 CA 1.462 48 residues pruned to eliminate duplicates Z: 31 26.203 2.007 0.704 0.605 0.933 0.700 CB 1.356 31 residues pruned to eliminate duplicates Z: 35 35.464 2.032 0.812 0.667 0.941 0.706 CB 1.504 35 residues pruned to eliminate duplicates Z: 35 32.766 2.025 0.736 0.642 0.971 0.676 CA 1.442 35 residues pruned to eliminate duplicates Z: 35 33.693 2.033 0.841 0.646 0.941 0.588 CA 1.432 35 residues pruned to eliminate duplicates Z: 36 34.297 2.029 0.761 0.652 0.914 0.629 CB 1.540 36 residues pruned to eliminate duplicates Z: 48 39.861 2.058 0.816 0.553 0.979 0.660 CA 1.511 48 residues pruned to eliminate duplicates Z: 36 33.203 2.047 0.790 0.638 0.914 0.714 CB 1.472 36 residues pruned to eliminate duplicates Z: 60 43.287 2.034 0.776 0.636 0.932 0.593 CA 1.473 60 residues pruned to eliminate duplicates Z: 58 36.610 2.049 0.742 0.491 0.912 0.579 CB 1.503 58 residues pruned to eliminate duplicates Z: 37 34.589 2.010 0.743 0.632 0.944 0.639 CA 1.539 37 residues pruned to eliminate duplicates Z: 37 34.356 2.045 0.868 0.633 0.889 0.611 CB 1.489 37 residues pruned to eliminate duplicates Z: 32 40.357 2.077 0.979 0.746 0.903 0.613 CB 1.568 32 residues pruned to eliminate duplicates Z: 37 36.023 2.041 0.862 0.649 0.889 0.694 CB 1.546 37 residues pruned to eliminate duplicates Z: 35 33.737 2.014 0.880 0.616 0.941 0.559 CB 1.455 35 residues pruned to eliminate duplicates Z: 39 36.143 2.012 0.809 0.604 0.974 0.684 CB 1.499 39 residues pruned to eliminate duplicates Z: 36 35.015 2.071 0.823 0.631 0.943 0.657 CA 1.470 36 residues pruned to eliminate duplicates Z: 45 40.916 1.996 0.740 0.715 1.000 0.705 CB 1.462 45 residues pruned to eliminate duplicates Z: 55 38.030 1.989 0.795 0.629 0.907 0.667 CB 1.415 52 residues pruned to eliminate duplicates Z: 7 4.824 1.508 0.126 0.694 1.000 0.500 O 0.972 7 residues pruned to eliminate duplicates Z: 13 15.373 1.824 0.520 0.848 1.000 0.917 CB 1.187 13 residues pruned to eliminate duplicates Z: 48 40.925 2.001 0.837 0.699 0.936 0.638 CB 1.447 48 residues pruned to eliminate duplicates Z: 65 41.750 2.016 0.780 0.585 0.922 0.578 CA 1.453 68 residues pruned to eliminate duplicates Z: 10 15.906 1.812 0.613 0.915 1.000 1.000 CB 1.282 10 residues pruned to eliminate duplicates Z: 12 17.199 1.860 0.822 0.811 1.000 0.636 CB 1.168 13 residues pruned to eliminate duplicates Z: 10 15.977 1.795 0.576 0.879 1.000 0.667 CB 1.366 10 residues pruned to eliminate duplicates Z: 30 18.353 1.890 0.432 0.493 0.862 0.586 CA 1.470 30 residues pruned to eliminate duplicates Z: 33 18.893 1.875 0.533 0.458 0.844 0.562 CA 1.437 33 residues pruned to eliminate duplicates Z: 28 16.676 1.860 0.394 0.468 0.889 0.630 CA 1.439 28 residues pruned to eliminate duplicates Z: 30 18.145 1.818 0.429 0.475 0.931 0.621 CB 1.429 30 residues pruned to eliminate duplicates Z: 31 19.295 1.900 0.455 0.481 0.867 0.567 CB 1.499 31 residues pruned to eliminate duplicates Z: 33 17.647 1.859 0.366 0.460 0.875 0.594 CA 1.463 33 residues pruned to eliminate duplicates Z: 32 18.344 1.865 0.549 0.432 0.839 0.484 CB 1.459 32 residues pruned to eliminate duplicates Z: 28 16.572 1.867 0.396 0.506 0.852 0.667 CA 1.427 28 residues pruned to eliminate duplicates Z: 30 17.755 1.873 0.426 0.477 0.897 0.586 CB 1.409 30 residues pruned to eliminate duplicates Z: 29 18.794 1.879 0.508 0.515 0.893 0.607 CA 1.382 40 residues pruned to eliminate duplicates Z: 21 13.730 1.812 0.571 0.406 0.850 0.450 CB 1.399 21 residues pruned to eliminate duplicates Z: 30 18.811 1.909 0.404 0.495 0.897 0.621 CB 1.460 30 residues pruned to eliminate duplicates Z: 30 17.152 1.871 0.514 0.466 0.828 0.517 CA 1.405 30 residues pruned to eliminate duplicates Z: 19 15.143 1.865 0.572 0.483 0.833 0.500 CB 1.485 19 residues pruned to eliminate duplicates Z: 19 14.513 1.842 0.399 0.483 0.944 0.667 CB 1.429 19 residues pruned to eliminate duplicates Z: 30 16.889 1.896 0.437 0.454 0.828 0.655 CB 1.457 30 residues pruned to eliminate duplicates Z: 32 15.989 1.792 0.413 0.530 0.806 0.581 CA 1.365 32 residues pruned to eliminate duplicates Z: 17 9.704 1.862 0.181 0.493 0.812 0.562 CB 1.367 17 residues pruned to eliminate duplicates Z: 34 17.740 1.812 0.548 0.464 0.848 0.576 CB 1.346 34 residues pruned to eliminate duplicates Z: 31 20.348 1.871 0.517 0.482 0.900 0.567 CB 1.481 31 residues pruned to eliminate duplicates Z: 31 16.279 1.814 0.384 0.469 0.867 0.500 CB 1.411 31 residues pruned to eliminate duplicates Z: 12 8.875 1.883 0.405 0.471 0.727 0.545 CA 1.432 12 residues pruned to eliminate duplicates Z: 14 11.659 1.884 0.450 0.442 0.846 0.462 CB 1.485 14 residues pruned to eliminate duplicates Z: 30 15.486 1.841 0.343 0.465 0.862 0.552 CA 1.398 30 residues pruned to eliminate duplicates Z: 18 14.407 1.907 0.342 0.519 0.941 0.765 CB 1.424 18 residues pruned to eliminate duplicates Z: 31 18.750 1.873 0.446 0.465 0.900 0.533 CB 1.456 31 residues pruned to eliminate duplicates Z: 13 5.859 1.580 0.444 0.345 0.750 0.583 CB 1.170 13 residues pruned to eliminate duplicates Z: 9 7.080 1.805 0.418 0.291 0.875 0.500 CB 1.414 9 residues pruned to eliminate duplicates Z: 10 5.825 1.603 0.450 0.390 0.778 0.667 CB 1.207 10 residues pruned to eliminate duplicates Z: 17 8.502 1.794 0.651 0.321 0.750 0.438 CB 1.166 17 residues pruned to eliminate duplicates Z: 9 7.786 1.793 0.392 0.377 0.875 0.750 CB 1.437 9 residues pruned to eliminate duplicates Z: 8 7.007 1.860 0.586 0.334 0.857 0.857 CB 1.257 8 residues pruned to eliminate duplicates Z: 15 9.517 1.846 0.717 0.336 0.714 0.500 CB 1.343 16 residues pruned to eliminate duplicates Z: 6 2.175 1.404 0.327 0.466 1.000 1.000 CA 0.541 6 residues pruned to eliminate duplicates Z: 6 11.241 1.835 0.715 0.692 1.000 0.800 CA 1.340 6 residues pruned to eliminate duplicates Z: 16 12.674 1.941 0.773 0.498 0.800 0.800 CB 1.191 16 residues pruned to eliminate duplicates Z: 11 15.937 1.876 0.677 0.631 0.900 0.900 O 1.574 11 residues pruned to eliminate duplicates Z: 13 16.876 2.040 0.852 0.433 0.917 0.667 CB 1.507 13 residues pruned to eliminate duplicates Z: 12 17.874 2.067 0.933 0.497 0.909 0.818 CB 1.488 12 residues pruned to eliminate duplicates Z: 11 17.764 2.070 0.927 0.541 0.900 0.900 CB 1.504 11 residues pruned to eliminate duplicates Z: 13 12.640 1.924 0.977 0.429 0.833 0.667 CB 1.239 13 residues pruned to eliminate duplicates Z: 12 14.731 1.978 0.803 0.467 0.909 0.636 CB 1.417 12 residues pruned to eliminate duplicates Z: 13 10.938 2.021 0.687 0.438 0.833 0.750 CB 1.186 13 residues pruned to eliminate duplicates Z: 18 20.175 2.040 1.005 0.434 0.882 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 19 17.973 2.033 0.875 0.500 0.833 0.556 CB 1.333 19 residues pruned to eliminate duplicates Z: 19 20.805 2.033 0.929 0.495 0.889 0.556 CB 1.413 19 residues pruned to eliminate duplicates Z: 22 17.183 1.995 0.724 0.436 0.857 0.571 CB 1.359 22 residues pruned to eliminate duplicates Z: 27 23.779 2.085 0.839 0.403 0.846 0.423 CB 1.591 27 residues pruned to eliminate duplicates Z: 6 2.212 1.423 0.940 0.224 0.600 0.200 C 0.824 6 residues pruned to eliminate duplicates Z: 28 21.313 2.065 0.718 0.434 0.778 0.481 CB 1.591 28 residues pruned to eliminate duplicates Z: 15 15.834 2.159 0.785 0.464 0.714 0.500 CA 1.595 15 residues pruned to eliminate duplicates Z: 13 13.838 2.159 0.914 0.426 0.667 0.583 CA 1.567 13 residues pruned to eliminate duplicates Z: 16 11.486 2.105 0.572 0.328 0.733 0.400 CA 1.475 16 residues pruned to eliminate duplicates Z: 10 10.318 2.152 0.653 0.380 0.778 0.444 CA 1.413 10 residues pruned to eliminate duplicates Z: 15 13.670 2.095 0.754 0.346 0.857 0.357 CA 1.372 15 residues pruned to eliminate duplicates Z: 15 13.566 2.151 0.616 0.349 0.786 0.500 CA 1.564 15 residues pruned to eliminate duplicates 696 residues left after pruning, divided into chains as follows: A: 8 B: 8 C: 6 D: 9 E: 11 F: 26 G: 18 H: 8 I: 49 J: 34 K: 66 L: 11 M: 13 N: 142 O: 147 P: 28 Q: 16 R: 27 S: 61 T: 8 CC for partial structure against native data = 26.13 % ------------------------------------------------------------------------------ Global autotracing cycle 14 = 0.300, Contrast = 0.389, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.560, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6560 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1273 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 44 15.248 1.898 0.304 0.385 0.860 0.512 CB 1.234 B: 17 22.388 2.178 0.438 0.846 0.938 0.750 CB 1.416 C: 28 25.427 2.204 0.732 0.470 0.926 0.630 CB 1.427 D: 39 18.022 1.914 0.374 0.415 0.895 0.553 CB 1.358 44 residues pruned to eliminate duplicates E: 19 20.131 1.965 0.379 0.856 0.944 0.611 CA 1.367 F: 29 13.470 2.018 0.318 0.326 0.857 0.500 CA 1.353 G: 10 10.773 1.557 0.540 0.878 1.000 0.556 CA 1.087 H: 8 8.267 1.639 0.458 0.798 0.857 0.714 CB 1.175 8 residues pruned to eliminate duplicates I: 11 18.747 2.001 0.950 0.870 0.900 0.700 CA 1.232 J: 28 17.516 1.964 0.448 0.458 0.889 0.519 CB 1.392 K: 15 22.801 2.114 0.658 0.855 0.929 0.857 CB 1.382 L: 16 20.012 2.037 0.514 0.835 0.867 0.667 CA 1.448 17 residues pruned to eliminate duplicates M: 15 16.080 2.002 0.655 0.775 0.857 0.571 CB 1.187 15 residues pruned to eliminate duplicates N: 18 25.603 1.967 0.607 0.858 0.941 0.412 CA 1.536 17 residues pruned to eliminate duplicates O: 10 6.185 1.565 0.355 0.561 0.889 0.556 CB 1.031 P: 21 23.672 1.957 0.601 0.787 0.950 0.600 CB 1.382 16 residues pruned to eliminate duplicates Q: 9 12.086 1.966 0.380 0.891 1.000 0.625 CB 1.131 9 residues pruned to eliminate duplicates R: 20 24.609 1.975 0.553 0.857 0.947 0.632 CA 1.431 20 residues pruned to eliminate duplicates S: 14 22.150 2.317 0.561 0.909 0.769 0.769 CB 1.567 14 residues pruned to eliminate duplicates T: 20 16.917 2.113 0.648 0.386 0.895 0.421 CB 1.406 U: 21 34.202 2.087 0.728 0.872 1.000 0.700 CA 1.545 14 residues pruned to eliminate duplicates V: 7 13.241 2.093 0.663 0.829 1.000 0.667 CB 1.168 7 residues pruned to eliminate duplicates W: 17 21.460 2.093 0.594 0.885 0.938 0.562 CB 1.238 17 residues pruned to eliminate duplicates X: 21 44.307 2.234 0.841 0.902 1.000 0.450 CB 1.717 21 residues pruned to eliminate duplicates Y: 8 7.146 1.863 0.294 0.482 0.857 0.429 CA 1.332 9 residues pruned to eliminate duplicates Z: 21 39.811 2.263 0.683 0.916 1.000 0.800 CB 1.650 21 residues pruned to eliminate duplicates Z: 22 26.794 1.880 0.547 0.914 0.952 0.857 CA 1.493 Z: 45 31.244 2.132 0.585 0.507 0.932 0.523 CB 1.485 19 residues pruned to eliminate duplicates Z: 8 7.968 1.769 0.317 0.496 1.000 0.714 C 1.298 10 residues pruned to eliminate duplicates Z: 33 22.082 2.144 0.480 0.472 0.875 0.594 CB 1.447 35 residues pruned to eliminate duplicates Z: 23 19.544 2.127 0.364 0.553 0.955 0.591 CA 1.429 26 residues pruned to eliminate duplicates Z: 8 12.969 2.089 0.410 0.859 0.857 0.571 CB 1.428 8 residues pruned to eliminate duplicates Z: 17 11.395 1.839 0.409 0.527 0.875 0.625 CB 1.224 Z: 19 8.492 1.943 0.217 0.367 0.722 0.500 CB 1.351 Z: 27 14.833 1.956 0.356 0.413 0.923 0.500 CA 1.302 18 residues pruned to eliminate duplicates Z: 10 8.971 1.900 0.379 0.599 0.889 0.556 CB 1.167 Z: 36 21.568 2.011 0.410 0.449 0.971 0.600 CB 1.394 36 residues pruned to eliminate duplicates Z: 12 13.975 1.968 0.388 0.534 0.909 0.636 CA 1.641 Z: 19 12.134 1.943 0.511 0.317 0.833 0.500 CA 1.431 Z: 22 45.584 2.214 0.949 0.915 1.000 0.952 CB 1.630 21 residues pruned to eliminate duplicates Z: 9 9.292 1.580 0.484 0.858 1.000 0.500 CB 1.032 9 residues pruned to eliminate duplicates Z: 16 20.618 2.130 0.372 0.891 1.000 0.867 CB 1.309 16 residues pruned to eliminate duplicates Z: 30 17.399 1.989 0.354 0.461 0.966 0.621 CB 1.294 Z: 13 9.813 2.006 0.576 0.351 0.750 0.417 CA 1.404 Z: 9 9.905 1.599 0.652 0.634 0.875 0.625 CA 1.336 Z: 8 9.429 1.671 0.540 0.784 0.857 0.571 CA 1.258 8 residues pruned to eliminate duplicates Z: 54 36.848 2.025 0.660 0.593 0.943 0.660 CB 1.460 16 residues pruned to eliminate duplicates Z: 39 16.826 1.975 0.456 0.336 0.789 0.342 CB 1.439 19 residues pruned to eliminate duplicates Z: 22 42.470 2.223 0.791 0.924 1.000 0.857 CB 1.635 22 residues pruned to eliminate duplicates Z: 15 9.023 1.891 0.341 0.361 0.857 0.571 CB 1.288 Z: 21 16.095 2.142 0.392 0.391 0.900 0.550 CB 1.504 23 residues pruned to eliminate duplicates Z: 21 44.788 2.240 0.896 0.932 1.000 0.650 CB 1.647 21 residues pruned to eliminate duplicates Z: 20 17.707 1.917 0.895 0.422 0.947 0.579 CA 1.281 20 residues pruned to eliminate duplicates Z: 10 9.407 1.865 0.370 0.502 0.889 0.778 CB 1.378 Z: 11 11.869 1.812 0.198 0.846 1.000 0.800 CA 1.284 10 residues pruned to eliminate duplicates Z: 12 16.340 2.012 0.629 0.830 1.000 0.727 CB 1.131 12 residues pruned to eliminate duplicates Z: 24 18.826 2.084 0.448 0.556 0.870 0.609 CB 1.417 24 residues pruned to eliminate duplicates Z: 17 10.414 1.832 0.284 0.391 0.938 0.438 CB 1.325 7 residues pruned to eliminate duplicates Z: 11 17.792 2.184 0.358 0.907 1.000 0.800 CB 1.348 11 residues pruned to eliminate duplicates Z: 21 41.088 2.250 0.829 0.917 1.000 0.950 CB 1.576 21 residues pruned to eliminate duplicates Z: 11 15.879 2.058 0.379 0.867 1.000 0.800 CB 1.295 11 residues pruned to eliminate duplicates Z: 11 12.420 1.744 0.495 0.771 0.900 0.600 CA 1.317 11 residues pruned to eliminate duplicates Z: 11 9.663 1.987 0.362 0.428 0.800 0.600 CB 1.521 11 residues pruned to eliminate duplicates Z: 18 22.951 2.101 0.371 0.863 1.000 0.765 CB 1.418 18 residues pruned to eliminate duplicates Z: 21 40.194 2.225 0.861 0.918 1.000 0.700 CB 1.531 22 residues pruned to eliminate duplicates Z: 32 25.591 2.175 0.634 0.457 0.935 0.613 CB 1.444 32 residues pruned to eliminate duplicates Z: 8 11.243 1.888 0.283 0.882 0.857 0.714 CA 1.481 8 residues pruned to eliminate duplicates Z: 6 7.929 1.842 0.460 0.537 1.000 0.600 CA 1.272 Z: 15 25.696 2.184 0.600 0.874 1.000 0.786 CB 1.431 15 residues pruned to eliminate duplicates Z: 20 22.709 2.030 0.336 0.893 0.947 0.789 CA 1.455 18 residues pruned to eliminate duplicates Z: 12 17.779 2.129 0.502 0.859 1.000 0.636 CB 1.234 12 residues pruned to eliminate duplicates Z: 10 14.100 2.046 0.386 0.843 0.889 0.556 CA 1.389 10 residues pruned to eliminate duplicates Z: 33 25.803 2.166 0.601 0.481 0.875 0.594 CB 1.532 33 residues pruned to eliminate duplicates Z: 9 17.134 1.935 0.842 0.907 1.000 0.625 CB 1.208 9 residues pruned to eliminate duplicates Z: 19 21.061 2.046 0.228 0.869 0.944 0.833 CA 1.528 19 residues pruned to eliminate duplicates Z: 10 14.392 1.921 0.503 0.782 0.889 0.556 CB 1.458 10 residues pruned to eliminate duplicates 6 1.845 1.695 0.103 0.294 0.800 0.400 CB 0.695 ? Z: 22 32.976 1.896 0.713 0.912 1.000 0.810 CA 1.569 22 residues pruned to eliminate duplicates Z: 15 19.203 1.911 0.633 0.749 1.000 0.714 CB 1.317 15 residues pruned to eliminate duplicates Z: 34 23.930 1.997 0.513 0.496 0.939 0.606 CB 1.474 33 residues pruned to eliminate duplicates Z: 24 21.800 2.064 0.541 0.537 0.957 0.609 CB 1.441 24 residues pruned to eliminate duplicates Z: 12 13.873 1.905 0.597 0.877 0.909 0.455 CB 1.098 12 residues pruned to eliminate duplicates Z: 47 25.610 2.008 0.618 0.493 0.826 0.609 CA 1.416 47 residues pruned to eliminate duplicates Z: 34 13.525 1.947 0.298 0.342 0.848 0.636 CB 1.303 29 residues pruned to eliminate duplicates Z: 31 15.950 2.016 0.395 0.321 0.767 0.433 N 1.644 21 residues pruned to eliminate duplicates Z: 10 12.543 1.994 0.771 0.676 1.000 0.778 CB 1.007 10 residues pruned to eliminate duplicates Z: 20 10.848 1.992 0.428 0.339 0.842 0.526 CB 1.238 20 residues pruned to eliminate duplicates Z: 12 14.261 1.952 0.965 0.490 0.909 0.818 CB 1.246 Z: 18 13.786 1.958 0.440 0.380 0.882 0.588 CA 1.528 14 residues pruned to eliminate duplicates Z: 18 20.196 2.096 0.210 0.902 0.941 0.824 CB 1.464 18 residues pruned to eliminate duplicates Z: 14 7.890 1.829 0.325 0.424 0.769 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 18 8.524 1.868 0.386 0.388 0.824 0.353 CB 1.092 18 residues pruned to eliminate duplicates Z: 10 8.120 1.838 0.316 0.370 1.000 0.556 CB 1.287 9 residues pruned to eliminate duplicates Z: 19 13.558 1.867 0.464 0.431 0.889 0.556 CA 1.413 19 residues pruned to eliminate duplicates Z: 18 12.516 1.986 0.345 0.475 0.882 0.588 CB 1.320 18 residues pruned to eliminate duplicates Z: 16 12.959 1.963 0.294 0.465 0.933 0.667 CA 1.462 Z: 15 9.569 1.793 0.605 0.380 0.857 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 6 3.394 1.635 0.169 0.680 0.800 0.800 CB 0.841 6 residues pruned to eliminate duplicates Z: 9 15.177 1.903 0.402 0.880 1.000 0.875 CA 1.457 9 residues pruned to eliminate duplicates Z: 29 13.797 1.952 0.296 0.398 0.929 0.714 CB 1.235 29 residues pruned to eliminate duplicates Z: 53 45.629 2.137 0.823 0.661 0.981 0.462 CB 1.426 46 residues pruned to eliminate duplicates Z: 10 5.465 1.648 0.449 0.487 0.778 0.444 CB 0.994 Z: 22 38.246 2.178 0.844 0.919 0.905 0.667 CB 1.619 22 residues pruned to eliminate duplicates Z: 7 8.074 1.856 0.190 0.502 1.000 0.333 CA 1.489 7 residues pruned to eliminate duplicates Z: 19 10.718 1.989 0.223 0.417 0.889 0.722 CB 1.274 19 residues pruned to eliminate duplicates Z: 21 31.782 1.940 0.748 0.926 1.000 0.700 CB 1.470 22 residues pruned to eliminate duplicates Z: 18 27.164 2.122 0.675 0.877 0.941 0.765 CB 1.430 18 residues pruned to eliminate duplicates Z: 12 11.621 2.020 0.263 0.441 1.000 0.545 CA 1.459 10 residues pruned to eliminate duplicates Z: 21 24.304 1.920 0.446 0.899 0.950 0.800 CB 1.473 21 residues pruned to eliminate duplicates Z: 7 5.416 1.434 0.139 0.736 1.000 0.833 C 1.095 7 residues pruned to eliminate duplicates Z: 43 21.444 2.006 0.526 0.415 0.881 0.571 CB 1.341 52 residues pruned to eliminate duplicates Z: 18 27.550 2.121 0.499 0.908 1.000 0.765 CA 1.493 19 residues pruned to eliminate duplicates Z: 17 11.369 1.938 0.478 0.409 0.812 0.625 CB 1.343 Z: 28 15.673 1.877 0.429 0.450 0.852 0.593 CA 1.389 10 residues pruned to eliminate duplicates Z: 19 24.439 2.007 0.446 0.807 0.944 0.556 CA 1.608 19 residues pruned to eliminate duplicates Z: 21 26.097 2.107 0.889 0.878 0.750 0.400 CB 1.419 21 residues pruned to eliminate duplicates Z: 20 14.051 1.929 0.734 0.322 0.842 0.579 CA 1.393 Z: 47 35.396 1.966 0.624 0.651 0.957 0.652 CA 1.485 37 residues pruned to eliminate duplicates Z: 46 20.103 2.011 0.482 0.373 0.800 0.533 CB 1.440 50 residues pruned to eliminate duplicates Z: 9 15.106 1.977 0.819 0.631 0.875 0.750 CB 1.501 10 residues pruned to eliminate duplicates Z: 18 25.178 2.002 0.550 0.849 0.941 0.529 CA 1.550 18 residues pruned to eliminate duplicates Z: 25 18.779 2.029 0.513 0.502 0.958 0.542 CB 1.301 25 residues pruned to eliminate duplicates Z: 12 11.074 1.995 0.365 0.525 0.909 0.818 CB 1.315 Z: 10 9.286 1.995 0.526 0.479 0.667 0.556 CB 1.558 10 residues pruned to eliminate duplicates Z: 7 4.335 1.412 0.207 0.667 0.833 0.833 N 1.067 Z: 15 11.242 1.949 0.457 0.345 0.857 0.429 CA 1.460 15 residues pruned to eliminate duplicates Z: 17 14.206 2.067 0.465 0.443 0.812 0.625 CB 1.530 17 residues pruned to eliminate duplicates Z: 16 8.943 2.075 0.153 0.386 0.733 0.467 CB 1.485 16 residues pruned to eliminate duplicates Z: 13 18.033 1.937 0.683 0.854 0.917 0.750 CA 1.287 13 residues pruned to eliminate duplicates Z: 16 12.047 2.011 0.384 0.427 0.800 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 12 16.017 2.064 0.501 0.814 0.909 0.545 CB 1.305 12 residues pruned to eliminate duplicates Z: 56 21.742 1.963 0.337 0.423 0.873 0.600 CB 1.386 56 residues pruned to eliminate duplicates Z: 22 42.402 2.197 0.933 0.916 1.000 0.905 CB 1.538 22 residues pruned to eliminate duplicates Z: 11 18.573 1.988 1.152 0.546 0.900 0.900 CB 1.458 11 residues pruned to eliminate duplicates Z: 18 18.030 1.992 0.244 0.840 0.941 0.588 CA 1.399 18 residues pruned to eliminate duplicates Z: 9 10.211 2.017 0.375 0.681 0.875 0.625 CB 1.260 8 residues pruned to eliminate duplicates Z: 23 19.886 2.124 0.433 0.550 0.955 0.591 CB 1.389 23 residues pruned to eliminate duplicates Z: 55 36.457 2.029 0.712 0.519 0.963 0.685 CA 1.455 55 residues pruned to eliminate duplicates Z: 48 38.359 2.062 0.572 0.665 0.979 0.660 CA 1.514 54 residues pruned to eliminate duplicates Z: 16 21.012 1.932 0.673 0.910 1.000 0.933 CA 1.191 16 residues pruned to eliminate duplicates Z: 7 6.726 1.682 0.013 0.713 1.000 0.667 C 1.329 7 residues pruned to eliminate duplicates Z: 10 3.787 1.695 0.410 0.468 0.778 0.333 CB 0.701 10 residues pruned to eliminate duplicates Z: 22 25.599 1.867 0.670 0.919 0.905 0.571 CB 1.395 22 residues pruned to eliminate duplicates Z: 28 23.413 2.172 0.710 0.331 0.926 0.407 CB 1.578 28 residues pruned to eliminate duplicates Z: 71 48.233 2.166 0.722 0.537 0.971 0.629 CB 1.534 71 residues pruned to eliminate duplicates Z: 88 38.306 2.015 0.413 0.547 0.931 0.575 CA 1.480 79 residues pruned to eliminate duplicates Z: 49 22.955 1.996 0.401 0.415 0.875 0.625 CB 1.480 49 residues pruned to eliminate duplicates Z: 15 11.032 2.088 0.456 0.339 0.786 0.571 CB 1.471 15 residues pruned to eliminate duplicates Z: 51 30.203 1.971 0.625 0.561 0.840 0.460 CA 1.496 51 residues pruned to eliminate duplicates Z: 38 15.699 1.921 0.459 0.305 0.784 0.568 CB 1.459 38 residues pruned to eliminate duplicates Z: 54 31.635 1.970 0.476 0.632 0.906 0.698 CA 1.458 54 residues pruned to eliminate duplicates Z: 18 13.369 1.828 0.656 0.355 0.941 0.353 CB 1.331 Z: 15 14.046 2.073 0.503 0.459 0.786 0.500 CA 1.599 15 residues pruned to eliminate duplicates Z: 22 28.235 1.857 0.662 0.901 1.000 0.524 CB 1.425 22 residues pruned to eliminate duplicates Z: 49 21.282 2.009 0.408 0.398 0.854 0.542 CB 1.415 49 residues pruned to eliminate duplicates Z: 19 14.086 1.843 0.550 0.425 0.944 0.500 CB 1.331 19 residues pruned to eliminate duplicates Z: 21 25.754 1.921 0.556 0.921 0.950 0.650 CB 1.426 21 residues pruned to eliminate duplicates Z: 36 23.102 1.917 0.675 0.505 0.914 0.486 CA 1.324 36 residues pruned to eliminate duplicates Z: 22 10.162 1.912 0.591 0.285 0.714 0.476 CB 1.300 22 residues pruned to eliminate duplicates Z: 7 6.232 1.679 0.850 0.549 0.667 0.667 CA 1.172 7 residues pruned to eliminate duplicates Z: 20 38.825 2.261 0.967 0.896 0.947 0.737 CB 1.515 20 residues pruned to eliminate duplicates Z: 9 14.195 1.819 0.487 0.827 1.000 0.875 CA 1.398 9 residues pruned to eliminate duplicates Z: 25 21.378 1.956 0.468 0.655 0.958 0.792 CB 1.373 25 residues pruned to eliminate duplicates Z: 15 15.042 1.913 0.689 0.736 0.929 0.643 CA 1.085 15 residues pruned to eliminate duplicates Z: 7 3.148 1.217 0.374 0.388 0.833 0.500 O 1.038 Z: 31 15.555 1.841 0.480 0.432 0.867 0.500 CB 1.291 31 residues pruned to eliminate duplicates Z: 7 2.331 1.611 0.641 0.364 0.500 0.333 CB 0.834 Z: 37 26.873 1.973 0.570 0.602 0.917 0.750 CA 1.431 37 residues pruned to eliminate duplicates Z: 6 3.108 1.630 0.193 0.445 1.000 0.800 CB 0.756 Z: 17 15.432 1.930 0.533 0.595 0.875 0.750 CA 1.361 17 residues pruned to eliminate duplicates Z: 12 14.461 1.831 0.462 0.822 0.909 0.818 CA 1.356 12 residues pruned to eliminate duplicates Z: 10 7.492 1.881 0.530 0.450 0.778 0.444 CB 1.174 10 residues pruned to eliminate duplicates Z: 21 25.965 1.951 0.409 0.894 1.000 0.850 CB 1.515 21 residues pruned to eliminate duplicates Z: 15 12.964 2.007 0.733 0.324 0.857 0.429 CA 1.410 15 residues pruned to eliminate duplicates Z: 25 15.958 2.055 0.376 0.451 0.917 0.500 CA 1.321 25 residues pruned to eliminate duplicates Z: 30 14.783 1.958 0.203 0.396 1.000 0.483 CB 1.302 30 residues pruned to eliminate duplicates Z: 36 19.470 1.959 0.480 0.446 0.914 0.629 CB 1.312 36 residues pruned to eliminate duplicates Z: 37 28.250 2.162 0.726 0.460 0.917 0.500 CB 1.433 37 residues pruned to eliminate duplicates Z: 20 16.654 1.937 0.545 0.526 0.895 0.579 CB 1.390 20 residues pruned to eliminate duplicates Z: 16 8.292 1.723 0.160 0.459 0.867 0.600 CB 1.288 16 residues pruned to eliminate duplicates Z: 16 11.837 1.895 0.587 0.393 0.867 0.600 CB 1.312 15 residues pruned to eliminate duplicates Z: 22 36.132 2.194 0.614 0.913 1.000 0.571 CB 1.576 22 residues pruned to eliminate duplicates Z: 34 17.594 1.989 0.528 0.380 0.818 0.545 CB 1.399 34 residues pruned to eliminate duplicates Z: 6 2.706 1.588 -0.012 0.409 0.800 0.400 C 1.061 Z: 23 13.717 1.996 0.450 0.422 0.864 0.636 CB 1.269 23 residues pruned to eliminate duplicates Z: 13 10.457 1.981 0.472 0.465 0.917 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 19 12.126 1.744 0.518 0.458 0.889 0.722 CB 1.268 Z: 12 4.343 1.783 0.497 0.386 0.545 0.455 CA 1.015 12 residues pruned to eliminate duplicates Z: 21 34.967 2.142 0.716 0.905 0.950 0.750 CB 1.594 21 residues pruned to eliminate duplicates 6 1.392 1.618 -0.135 0.687 0.800 0.800 CB 0.469 ? Z: 63 45.996 2.160 0.740 0.618 0.903 0.500 CB 1.539 64 residues pruned to eliminate duplicates Z: 58 35.876 2.004 0.594 0.579 0.965 0.684 CB 1.430 58 residues pruned to eliminate duplicates Z: 28 13.170 1.962 0.421 0.335 0.815 0.481 CB 1.337 28 residues pruned to eliminate duplicates Z: 19 17.257 2.088 0.765 0.321 0.889 0.667 CB 1.512 19 residues pruned to eliminate duplicates Z: 23 23.847 2.219 0.565 0.463 0.955 0.682 CB 1.594 23 residues pruned to eliminate duplicates Z: 8 7.740 1.975 0.168 0.652 0.857 0.714 CB 1.284 8 residues pruned to eliminate duplicates Z: 7 6.228 1.621 0.256 0.855 0.667 0.500 O 1.382 7 residues pruned to eliminate duplicates Z: 16 9.567 1.782 0.522 0.529 0.867 0.600 CB 1.022 16 residues pruned to eliminate duplicates Z: 14 15.365 1.968 0.598 0.515 0.923 0.538 CB 1.446 14 residues pruned to eliminate duplicates Z: 34 21.374 2.048 0.533 0.471 0.879 0.636 CB 1.388 35 residues pruned to eliminate duplicates Z: 22 26.647 1.886 0.684 0.921 1.000 0.714 CB 1.289 22 residues pruned to eliminate duplicates Z: 24 18.721 1.981 0.604 0.418 0.913 0.652 CB 1.466 25 residues pruned to eliminate duplicates Z: 26 13.682 1.870 0.412 0.446 0.880 0.560 CA 1.245 26 residues pruned to eliminate duplicates Z: 8 9.226 1.761 0.508 0.629 1.000 0.429 CB 1.163 8 residues pruned to eliminate duplicates Z: 12 4.326 1.620 -0.004 0.287 0.818 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 10 9.877 1.952 0.141 0.559 1.000 0.778 CA 1.396 10 residues pruned to eliminate duplicates Z: 19 14.479 1.875 0.454 0.476 0.944 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 16 14.070 1.944 0.493 0.569 0.867 0.467 CB 1.352 16 residues pruned to eliminate duplicates Z: 13 18.083 1.956 0.613 0.743 1.000 0.583 CB 1.331 13 residues pruned to eliminate duplicates Z: 10 14.179 1.918 0.837 0.860 0.667 0.444 CB 1.480 10 residues pruned to eliminate duplicates Z: 9 10.825 1.829 0.352 0.539 1.000 0.625 CA 1.490 9 residues pruned to eliminate duplicates Z: 9 7.075 1.667 0.849 0.576 0.625 0.500 CA 1.207 6 residues pruned to eliminate duplicates Z: 17 23.571 2.068 0.819 0.887 0.875 0.375 CB 1.291 17 residues pruned to eliminate duplicates Z: 56 34.395 2.009 0.544 0.606 0.909 0.600 CA 1.488 54 residues pruned to eliminate duplicates Z: 14 13.165 1.806 0.693 0.557 0.923 0.615 CA 1.224 14 residues pruned to eliminate duplicates Z: 23 22.249 1.773 0.443 0.880 0.955 0.727 CB 1.408 23 residues pruned to eliminate duplicates Z: 53 17.174 1.940 0.437 0.344 0.769 0.519 CB 1.316 53 residues pruned to eliminate duplicates Z: 30 19.575 2.119 0.644 0.397 0.759 0.483 CB 1.534 30 residues pruned to eliminate duplicates Z: 8 3.625 1.740 0.185 0.476 0.714 0.714 CB 0.953 Z: 31 26.031 2.025 0.635 0.582 0.900 0.667 CB 1.475 31 residues pruned to eliminate duplicates Z: 13 8.305 1.846 0.359 0.447 0.917 0.750 CA 1.101 13 residues pruned to eliminate duplicates Z: 13 8.354 1.901 0.505 0.369 0.750 0.667 CA 1.293 13 residues pruned to eliminate duplicates Z: 21 25.849 1.980 0.793 0.828 0.850 0.300 CA 1.442 21 residues pruned to eliminate duplicates Z: 37 25.607 2.090 0.611 0.491 0.889 0.500 CB 1.438 55 residues pruned to eliminate duplicates Z: 28 13.786 1.906 0.530 0.347 0.778 0.556 CB 1.381 28 residues pruned to eliminate duplicates Z: 15 15.630 2.034 0.523 0.534 0.857 0.643 CB 1.522 15 residues pruned to eliminate duplicates Z: 12 7.967 1.973 0.768 0.366 0.727 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 30 18.900 2.117 0.460 0.344 0.862 0.517 CB 1.560 30 residues pruned to eliminate duplicates Z: 34 19.103 1.977 0.601 0.433 0.879 0.545 CB 1.282 32 residues pruned to eliminate duplicates Z: 22 9.831 1.870 0.295 0.318 0.857 0.429 CB 1.264 22 residues pruned to eliminate duplicates Z: 76 38.381 1.981 0.548 0.568 0.907 0.667 CA 1.492 76 residues pruned to eliminate duplicates Z: 20 11.835 1.950 0.212 0.391 0.947 0.526 CB 1.361 20 residues pruned to eliminate duplicates Z: 21 9.486 1.944 0.177 0.380 0.850 0.450 CB 1.238 21 residues pruned to eliminate duplicates Z: 16 6.691 1.844 0.411 0.257 0.733 0.600 CB 1.196 16 residues pruned to eliminate duplicates Z: 36 16.882 1.967 0.497 0.369 0.857 0.486 CB 1.301 36 residues pruned to eliminate duplicates Z: 33 23.026 2.139 0.449 0.457 0.906 0.562 CB 1.515 33 residues pruned to eliminate duplicates Z: 17 9.195 1.798 0.423 0.400 0.875 0.562 CB 1.141 17 residues pruned to eliminate duplicates Z: 31 35.010 2.148 0.816 0.718 1.000 0.800 CA 1.345 31 residues pruned to eliminate duplicates Z: 18 7.977 1.809 0.203 0.314 0.824 0.294 CA 1.327 18 residues pruned to eliminate duplicates Z: 37 16.740 1.934 0.406 0.357 0.833 0.528 CB 1.437 41 residues pruned to eliminate duplicates Z: 17 10.693 1.778 0.603 0.409 0.875 0.625 CB 1.179 17 residues pruned to eliminate duplicates Z: 71 49.034 2.160 0.774 0.580 0.943 0.557 CB 1.503 71 residues pruned to eliminate duplicates Z: 33 18.790 1.893 0.383 0.406 0.906 0.406 CA 1.546 33 residues pruned to eliminate duplicates Z: 7 3.238 1.761 -0.235 0.564 0.833 0.500 CB 1.106 7 residues pruned to eliminate duplicates Z: 19 27.736 2.051 0.523 0.843 0.944 0.611 CA 1.650 19 residues pruned to eliminate duplicates Z: 8 2.634 1.528 -0.061 0.395 0.714 0.571 CB 1.085 Z: 6 5.702 1.790 0.485 0.588 0.800 0.800 CB 1.102 Z: 8 4.769 1.938 0.068 0.500 0.857 0.571 CB 1.016 Z: 18 11.568 1.815 0.364 0.436 0.941 0.471 CA 1.286 16 residues pruned to eliminate duplicates Z: 10 11.427 2.032 0.381 0.646 1.000 0.667 CB 1.184 10 residues pruned to eliminate duplicates Z: 21 29.823 1.898 0.780 0.920 1.000 0.850 CB 1.390 21 residues pruned to eliminate duplicates Z: 7 6.274 1.585 0.332 0.457 1.000 0.667 N 1.268 7 residues pruned to eliminate duplicates Z: 13 7.790 1.899 0.417 0.440 0.750 0.500 CB 1.185 13 residues pruned to eliminate duplicates Z: 21 42.198 2.224 0.943 0.920 0.950 0.750 CB 1.618 21 residues pruned to eliminate duplicates Z: 15 8.946 1.763 0.377 0.473 0.857 0.500 CB 1.180 15 residues pruned to eliminate duplicates Z: 43 31.690 2.090 0.638 0.554 0.952 0.500 CB 1.423 43 residues pruned to eliminate duplicates Z: 73 46.543 2.161 0.686 0.594 0.903 0.556 CA 1.524 73 residues pruned to eliminate duplicates Z: 26 15.898 2.144 0.450 0.374 0.840 0.560 CB 1.392 26 residues pruned to eliminate duplicates Z: 38 25.108 2.047 0.480 0.596 0.892 0.676 CB 1.394 38 residues pruned to eliminate duplicates Z: 14 12.714 1.964 0.543 0.588 0.923 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 12 3.926 1.414 0.371 0.303 0.727 0.545 C 1.046 12 residues pruned to eliminate duplicates Z: 14 9.058 1.776 0.519 0.484 0.923 0.615 CA 1.025 5 residues pruned to eliminate duplicates Z: 15 12.211 1.884 0.619 0.471 0.857 0.429 CB 1.285 12 residues pruned to eliminate duplicates Z: 11 12.068 1.735 0.268 0.879 1.000 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 20 29.927 2.081 0.650 0.862 0.947 0.632 CA 1.549 20 residues pruned to eliminate duplicates Z: 25 12.856 1.891 0.500 0.325 0.792 0.542 CB 1.417 25 residues pruned to eliminate duplicates Z: 21 25.440 1.903 0.730 0.931 0.950 0.600 CB 1.271 21 residues pruned to eliminate duplicates Z: 26 14.933 1.888 0.433 0.446 0.880 0.480 CA 1.326 26 residues pruned to eliminate duplicates Z: 12 12.937 1.918 0.588 0.627 0.909 0.727 CA 1.251 15 residues pruned to eliminate duplicates Z: 10 6.352 1.694 0.326 0.534 0.778 0.556 CB 1.172 10 residues pruned to eliminate duplicates Z: 12 10.696 1.887 0.238 0.629 0.909 0.727 CB 1.345 12 residues pruned to eliminate duplicates Z: 24 14.164 1.915 0.362 0.380 0.913 0.565 CB 1.410 24 residues pruned to eliminate duplicates Z: 23 20.706 2.110 0.477 0.567 0.955 0.727 CB 1.391 23 residues pruned to eliminate duplicates Z: 20 21.916 2.006 0.410 0.912 0.947 0.684 CB 1.329 20 residues pruned to eliminate duplicates Z: 21 22.093 1.892 0.489 0.868 0.900 0.700 CA 1.425 21 residues pruned to eliminate duplicates Z: 58 37.439 2.036 0.548 0.641 0.912 0.544 CA 1.512 58 residues pruned to eliminate duplicates Z: 32 41.361 2.181 0.824 0.721 1.000 0.806 CB 1.530 32 residues pruned to eliminate duplicates Z: 9 2.639 1.448 0.606 0.335 0.875 0.250 CB 0.549 9 residues pruned to eliminate duplicates Z: 66 37.077 1.956 0.631 0.576 0.923 0.600 CB 1.451 66 residues pruned to eliminate duplicates Z: 6 6.600 1.773 0.759 0.464 0.800 0.600 CB 1.228 Z: 29 17.533 2.046 0.499 0.453 0.821 0.536 CB 1.381 29 residues pruned to eliminate duplicates Z: 13 13.143 1.989 0.178 0.838 1.000 0.917 CA 1.210 13 residues pruned to eliminate duplicates Z: 16 15.581 1.992 0.444 0.393 0.933 0.400 CA 1.677 16 residues pruned to eliminate duplicates Z: 53 32.184 2.049 0.646 0.482 0.904 0.654 CA 1.490 49 residues pruned to eliminate duplicates Z: 10 17.536 1.990 0.855 0.620 0.889 0.667 CA 1.591 10 residues pruned to eliminate duplicates Z: 10 20.283 2.013 0.774 0.877 1.000 0.889 CA 1.375 10 residues pruned to eliminate duplicates Z: 32 16.705 1.955 0.383 0.438 0.935 0.677 CB 1.265 30 residues pruned to eliminate duplicates Z: 19 15.016 1.945 0.444 0.486 0.944 0.556 CA 1.354 19 residues pruned to eliminate duplicates Z: 33 19.416 2.069 0.547 0.423 0.875 0.531 CB 1.328 33 residues pruned to eliminate duplicates Z: 9 14.081 1.878 0.388 0.881 1.000 0.875 CA 1.383 9 residues pruned to eliminate duplicates Z: 12 14.346 1.993 0.701 0.484 0.909 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 19 11.556 1.863 0.424 0.440 0.833 0.556 CB 1.310 19 residues pruned to eliminate duplicates Z: 14 11.344 1.876 0.427 0.477 0.923 0.462 CB 1.304 13 residues pruned to eliminate duplicates Z: 18 25.544 2.088 0.389 0.887 0.941 0.706 CA 1.636 18 residues pruned to eliminate duplicates Z: 7 6.791 1.542 0.342 0.805 1.000 0.667 N 1.027 Z: 11 6.666 1.883 0.465 0.431 0.700 0.500 CB 1.172 11 residues pruned to eliminate duplicates Z: 28 15.220 1.825 0.433 0.466 0.889 0.593 CA 1.305 28 residues pruned to eliminate duplicates Z: 34 25.021 2.163 0.561 0.433 0.939 0.485 CB 1.471 34 residues pruned to eliminate duplicates Z: 26 13.707 1.934 0.254 0.507 0.920 0.560 CB 1.220 26 residues pruned to eliminate duplicates Z: 18 9.167 1.876 0.173 0.418 0.941 0.647 CB 1.169 18 residues pruned to eliminate duplicates Z: 14 11.281 1.947 0.536 0.513 0.846 0.462 CB 1.221 14 residues pruned to eliminate duplicates Z: 9 9.355 1.994 0.645 0.533 0.750 0.625 CB 1.301 9 residues pruned to eliminate duplicates Z: 19 13.190 2.011 0.287 0.421 0.833 0.667 CB 1.565 19 residues pruned to eliminate duplicates Z: 6 3.402 1.459 0.563 0.472 0.600 0.600 CB 1.144 Z: 13 8.234 1.845 0.125 0.424 0.917 0.417 CA 1.351 13 residues pruned to eliminate duplicates Z: 17 15.062 1.956 0.470 0.551 0.938 0.750 CB 1.329 17 residues pruned to eliminate duplicates Z: 15 17.860 1.925 0.590 0.893 0.857 0.429 CB 1.306 15 residues pruned to eliminate duplicates Z: 7 9.906 1.985 0.196 0.767 1.000 0.667 CB 1.345 7 residues pruned to eliminate duplicates Z: 6 3.090 1.438 0.483 0.535 0.800 0.600 N 0.783 Z: 34 18.728 1.895 0.554 0.417 0.848 0.455 CB 1.424 34 residues pruned to eliminate duplicates Z: 27 23.132 2.028 0.535 0.665 0.885 0.385 CA 1.414 27 residues pruned to eliminate duplicates Z: 20 29.487 1.948 0.879 0.920 0.947 0.474 CB 1.373 23 residues pruned to eliminate duplicates Z: 21 12.467 1.933 0.242 0.438 0.900 0.650 CA 1.375 21 residues pruned to eliminate duplicates Z: 22 32.858 1.891 0.820 0.915 1.000 0.762 CB 1.473 22 residues pruned to eliminate duplicates Z: 34 22.239 2.098 0.648 0.356 0.848 0.515 CB 1.543 34 residues pruned to eliminate duplicates Z: 22 41.341 2.173 0.952 0.909 1.000 0.429 CB 1.509 22 residues pruned to eliminate duplicates 6 1.097 1.147 0.157 0.417 0.600 0.600 N 0.672 ? Z: 9 17.473 1.885 0.641 0.794 1.000 0.625 CA 1.544 9 residues pruned to eliminate duplicates Z: 22 12.138 1.942 0.369 0.337 0.905 0.476 CB 1.315 22 residues pruned to eliminate duplicates Z: 15 7.518 1.908 0.624 0.354 0.714 0.500 CB 1.062 15 residues pruned to eliminate duplicates Z: 20 30.251 2.257 0.574 0.871 0.947 0.632 CB 1.504 20 residues pruned to eliminate duplicates Z: 20 8.578 1.959 0.172 0.300 0.789 0.421 CB 1.357 20 residues pruned to eliminate duplicates Z: 15 20.515 1.925 0.557 0.904 1.000 0.929 CB 1.303 15 residues pruned to eliminate duplicates Z: 17 9.738 1.739 0.645 0.401 0.812 0.500 CB 1.163 15 residues pruned to eliminate duplicates Z: 24 10.282 1.879 0.225 0.259 0.870 0.261 CB 1.411 24 residues pruned to eliminate duplicates Z: 7 7.114 1.758 0.603 0.520 0.833 0.833 CB 1.212 7 residues pruned to eliminate duplicates Z: 24 12.672 1.975 0.314 0.405 0.870 0.652 CB 1.294 24 residues pruned to eliminate duplicates Z: 24 12.722 2.032 0.478 0.350 0.826 0.522 CB 1.258 24 residues pruned to eliminate duplicates Z: 12 8.359 1.973 0.391 0.363 0.818 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 8 4.769 1.748 0.437 0.445 0.857 0.714 CB 0.886 8 residues pruned to eliminate duplicates Z: 19 6.476 1.816 0.261 0.401 0.611 0.444 CB 1.211 19 residues pruned to eliminate duplicates Z: 12 12.870 1.869 0.428 0.890 1.000 0.909 CA 1.046 12 residues pruned to eliminate duplicates Z: 25 11.381 1.843 0.447 0.363 0.833 0.542 CB 1.211 25 residues pruned to eliminate duplicates Z: 21 23.858 1.929 0.707 0.831 0.900 0.600 CA 1.353 21 residues pruned to eliminate duplicates Z: 20 14.722 2.040 0.797 0.270 0.895 0.632 CB 1.338 20 residues pruned to eliminate duplicates Z: 27 13.401 1.953 0.406 0.349 0.846 0.500 CB 1.333 27 residues pruned to eliminate duplicates Z: 9 6.065 1.801 0.031 0.311 1.000 0.125 CB 1.423 9 residues pruned to eliminate duplicates Z: 23 15.683 1.924 0.505 0.407 0.864 0.545 CB 1.474 23 residues pruned to eliminate duplicates Z: 13 13.406 2.072 0.464 0.480 0.917 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 13 9.346 1.890 0.304 0.414 0.833 0.500 CB 1.436 12 residues pruned to eliminate duplicates Z: 17 13.796 1.809 0.542 0.497 0.875 0.500 CA 1.417 17 residues pruned to eliminate duplicates Z: 48 35.282 1.924 0.709 0.670 0.979 0.574 CB 1.367 33 residues pruned to eliminate duplicates Z: 7 6.364 1.413 0.658 0.829 0.833 0.833 CB 1.001 8 residues pruned to eliminate duplicates Z: 9 16.733 2.120 0.744 0.611 0.875 0.625 CA 1.646 9 residues pruned to eliminate duplicates Z: 8 11.513 1.966 0.346 0.701 1.000 0.714 CA 1.369 8 residues pruned to eliminate duplicates Z: 17 16.834 2.029 0.321 0.710 0.938 0.625 CB 1.384 17 residues pruned to eliminate duplicates Z: 18 18.306 1.996 0.322 0.871 0.882 0.706 CA 1.391 18 residues pruned to eliminate duplicates Z: 11 2.296 1.447 0.149 0.199 0.800 0.400 CB 0.780 Z: 9 8.010 1.601 0.250 0.588 1.000 0.500 CB 1.301 9 residues pruned to eliminate duplicates Z: 24 17.607 2.042 0.416 0.519 0.870 0.435 CA 1.432 24 residues pruned to eliminate duplicates Z: 14 10.840 1.960 0.171 0.504 0.923 0.615 CB 1.412 14 residues pruned to eliminate duplicates Z: 49 17.153 1.977 0.367 0.340 0.833 0.562 CB 1.308 49 residues pruned to eliminate duplicates Z: 28 16.847 1.958 0.358 0.417 0.926 0.444 CB 1.436 28 residues pruned to eliminate duplicates 7 1.356 1.505 0.693 0.378 0.500 0.500 CB 0.495 ? Z: 7 7.848 1.919 -0.043 0.871 1.000 0.667 CB 1.272 7 residues pruned to eliminate duplicates Z: 11 12.204 1.894 0.277 0.711 1.000 0.900 CB 1.317 11 residues pruned to eliminate duplicates Z: 7 5.678 1.523 0.902 0.712 0.667 0.500 CA 0.990 7 residues pruned to eliminate duplicates Z: 16 16.710 2.050 0.169 0.870 1.000 0.933 CB 1.314 16 residues pruned to eliminate duplicates Z: 9 11.650 1.816 0.443 0.896 1.000 0.875 CA 1.126 9 residues pruned to eliminate duplicates Z: 66 42.004 2.081 0.689 0.585 0.938 0.508 CA 1.456 66 residues pruned to eliminate duplicates Z: 6 4.564 1.600 0.241 0.542 1.000 0.800 CA 0.986 Z: 63 43.395 2.146 0.725 0.614 0.935 0.645 CB 1.428 63 residues pruned to eliminate duplicates Z: 34 16.325 1.979 0.560 0.373 0.758 0.545 CB 1.392 34 residues pruned to eliminate duplicates Z: 43 24.741 2.052 0.454 0.435 0.976 0.548 CB 1.402 61 residues pruned to eliminate duplicates Z: 10 13.862 1.763 0.766 0.896 0.778 0.444 CA 1.368 10 residues pruned to eliminate duplicates Z: 101 42.351 2.062 0.638 0.482 0.880 0.470 CB 1.451 101 residues pruned to eliminate duplicates Z: 21 12.610 1.772 0.418 0.445 0.900 0.700 CA 1.319 21 residues pruned to eliminate duplicates Z: 12 17.181 2.036 0.414 0.620 1.000 0.636 CB 1.606 12 residues pruned to eliminate duplicates Z: 50 32.250 1.940 0.691 0.564 0.918 0.694 CB 1.437 50 residues pruned to eliminate duplicates Z: 10 8.328 2.048 0.415 0.319 0.778 0.556 CB 1.504 4 residues pruned to eliminate duplicates Z: 21 37.896 2.209 0.802 0.915 1.000 0.500 CB 1.505 21 residues pruned to eliminate duplicates Z: 30 17.346 1.834 0.433 0.528 0.862 0.621 CB 1.383 28 residues pruned to eliminate duplicates Z: 8 2.038 1.384 0.259 0.304 1.000 0.429 CB 0.550 Z: 49 34.896 2.037 0.661 0.590 0.938 0.625 CA 1.457 49 residues pruned to eliminate duplicates Z: 51 31.852 2.086 0.594 0.514 0.900 0.580 CB 1.484 51 residues pruned to eliminate duplicates Z: 19 13.976 2.022 0.716 0.284 0.778 0.500 CB 1.558 19 residues pruned to eliminate duplicates Z: 25 16.652 2.003 0.466 0.445 0.875 0.458 CB 1.399 25 residues pruned to eliminate duplicates Z: 6 2.728 1.340 0.219 0.654 0.800 0.600 CB 0.809 Z: 11 11.196 1.980 0.504 0.626 1.000 0.900 CA 1.056 11 residues pruned to eliminate duplicates Z: 12 13.693 2.017 0.688 0.545 1.000 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 12.140 1.846 0.602 0.607 1.000 0.833 CA 1.514 7 residues pruned to eliminate duplicates Z: 11 15.308 2.017 0.499 0.866 1.000 0.800 CB 1.172 11 residues pruned to eliminate duplicates Z: 30 18.002 1.881 0.436 0.466 0.862 0.586 CA 1.485 31 residues pruned to eliminate duplicates Z: 18 20.415 2.012 0.934 0.871 0.882 0.353 CB 1.052 18 residues pruned to eliminate duplicates Z: 23 14.768 1.787 0.448 0.446 1.000 0.727 CB 1.286 23 residues pruned to eliminate duplicates Z: 7 4.254 1.426 0.481 0.247 1.000 0.833 CA 1.101 Z: 8 6.163 1.966 0.226 0.387 0.857 0.571 CA 1.271 8 residues pruned to eliminate duplicates Z: 14 12.977 1.863 0.359 0.493 1.000 0.538 CB 1.430 14 residues pruned to eliminate duplicates Z: 7 2.256 1.676 0.029 0.418 0.667 0.667 CB 0.873 Z: 69 32.192 1.994 0.468 0.534 0.882 0.559 CB 1.461 68 residues pruned to eliminate duplicates Z: 22 14.111 1.740 0.684 0.500 0.952 0.381 CB 1.103 22 residues pruned to eliminate duplicates Z: 23 10.326 1.834 0.393 0.272 0.864 0.409 CB 1.293 23 residues pruned to eliminate duplicates Z: 10 9.871 1.913 0.675 0.358 0.889 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 8 12.638 1.913 0.346 0.858 0.857 0.571 CA 1.593 8 residues pruned to eliminate duplicates Z: 31 21.546 1.936 0.766 0.378 0.833 0.600 CA 1.572 32 residues pruned to eliminate duplicates Z: 16 18.082 1.782 0.569 0.845 0.867 0.800 CB 1.432 16 residues pruned to eliminate duplicates Z: 6 4.376 1.891 0.735 0.132 0.800 0.600 CA 1.179 6 residues pruned to eliminate duplicates Z: 9 6.024 1.659 0.215 0.434 1.000 0.250 CA 1.131 9 residues pruned to eliminate duplicates Z: 6 2.950 1.689 -0.229 0.735 1.000 0.400 CB 0.821 6 residues pruned to eliminate duplicates Z: 15 22.881 1.878 0.873 0.852 1.000 1.000 CA 1.286 15 residues pruned to eliminate duplicates Z: 12 8.399 1.641 0.710 0.406 0.818 0.455 CA 1.217 12 residues pruned to eliminate duplicates Z: 30 18.293 1.978 0.614 0.391 0.862 0.621 CA 1.385 30 residues pruned to eliminate duplicates 7 1.079 1.299 0.863 0.334 0.500 0.500 C 0.436 ? Z: 28 14.913 1.955 0.278 0.425 0.926 0.630 CB 1.341 28 residues pruned to eliminate duplicates Z: 18 18.756 2.067 0.474 0.877 0.824 0.529 CB 1.316 18 residues pruned to eliminate duplicates Z: 19 12.422 2.095 0.488 0.383 0.833 0.556 CB 1.277 19 residues pruned to eliminate duplicates Z: 10 7.894 1.960 0.400 0.240 0.889 0.556 CB 1.457 10 residues pruned to eliminate duplicates Z: 14 5.949 1.676 0.210 0.279 1.000 0.462 CB 1.044 14 residues pruned to eliminate duplicates Z: 23 20.699 1.930 0.682 0.585 0.955 0.500 CB 1.313 12 residues pruned to eliminate duplicates Z: 9 3.543 1.592 0.403 0.284 0.625 0.250 CA 1.144 9 residues pruned to eliminate duplicates Z: 8 4.596 1.482 0.165 0.585 1.000 0.429 CB 0.927 8 residues pruned to eliminate duplicates 6 1.780 1.559 0.365 0.288 0.600 0.400 N 0.791 ? Z: 7 11.124 1.824 0.404 0.786 1.000 0.833 CB 1.379 7 residues pruned to eliminate duplicates Z: 7 4.993 1.499 0.463 0.514 0.833 0.500 O 1.100 Z: 10 8.403 1.906 0.742 0.263 0.889 0.778 CB 1.244 10 residues pruned to eliminate duplicates Z: 6 2.853 1.503 0.323 0.450 0.800 0.600 CB 0.844 Z: 11 7.419 1.647 0.395 0.494 0.900 0.300 CB 1.142 11 residues pruned to eliminate duplicates Z: 13 7.207 1.760 0.190 0.430 0.833 0.500 CA 1.281 13 residues pruned to eliminate duplicates Z: 7 3.497 1.669 -0.017 0.528 0.833 0.667 CB 1.015 Z: 6 3.763 1.447 0.445 0.449 0.800 0.800 N 1.061 6 residues pruned to eliminate duplicates Z: 7 10.200 1.818 0.285 0.702 1.000 0.500 CB 1.482 7 residues pruned to eliminate duplicates Z: 11 4.029 1.656 0.290 0.359 0.700 0.700 CB 0.992 10 residues pruned to eliminate duplicates Z: 21 22.277 1.885 0.501 0.878 1.000 0.800 CB 1.278 21 residues pruned to eliminate duplicates 6 1.741 1.478 0.032 0.490 0.600 0.600 CB 0.859 ? Z: 17 5.638 1.696 0.190 0.262 0.750 0.375 CA 1.222 17 residues pruned to eliminate duplicates Z: 17 19.377 2.020 0.425 0.823 0.938 0.812 CA 1.357 17 residues pruned to eliminate duplicates Z: 13 13.800 1.955 0.602 0.506 0.917 0.417 CA 1.379 13 residues pruned to eliminate duplicates Z: 32 25.652 2.109 0.638 0.481 0.903 0.548 CB 1.505 32 residues pruned to eliminate duplicates Z: 57 34.642 2.088 0.653 0.523 0.893 0.500 CB 1.469 57 residues pruned to eliminate duplicates Z: 15 10.856 2.007 0.425 0.385 0.857 0.571 CA 1.337 15 residues pruned to eliminate duplicates Z: 6 4.131 1.854 0.003 0.543 0.800 0.200 CB 1.191 Z: 7 3.001 1.430 0.285 0.467 0.667 0.333 CB 1.034 Z: 31 17.066 1.856 0.489 0.457 0.867 0.533 CB 1.359 31 residues pruned to eliminate duplicates Z: 7 4.993 1.725 0.259 0.416 1.000 0.667 CB 1.025 8 1.590 1.479 0.175 0.272 0.571 0.429 CB 0.784 ? Z: 8 4.176 1.545 0.176 0.513 0.714 0.429 N 1.201 8 residues pruned to eliminate duplicates Z: 31 13.862 1.817 0.590 0.331 0.867 0.367 CB 1.216 31 residues pruned to eliminate duplicates Z: 11 11.134 2.140 0.341 0.407 0.800 0.500 CA 1.691 11 residues pruned to eliminate duplicates Z: 11 5.796 1.621 0.545 0.333 0.900 0.500 CA 0.976 11 residues pruned to eliminate duplicates Z: 6 4.971 1.417 0.661 0.696 0.800 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 17 9.593 1.890 0.307 0.468 0.875 0.375 CB 1.146 17 residues pruned to eliminate duplicates Z: 14 14.786 2.017 0.529 0.532 1.000 0.615 CB 1.289 16 residues pruned to eliminate duplicates Z: 6 3.586 1.768 -0.049 0.389 1.000 0.600 CB 1.072 6 residues pruned to eliminate duplicates Z: 6 4.265 1.524 0.091 0.651 1.000 1.000 C 0.997 Z: 25 9.224 1.801 0.389 0.453 0.792 0.667 CB 0.997 25 residues pruned to eliminate duplicates Z: 22 22.746 1.927 0.641 0.881 0.905 0.619 CB 1.256 22 residues pruned to eliminate duplicates Z: 36 24.883 1.983 0.606 0.490 0.943 0.657 CA 1.415 34 residues pruned to eliminate duplicates Z: 31 16.889 1.960 0.518 0.418 0.867 0.633 CB 1.304 31 residues pruned to eliminate duplicates Z: 11 10.702 1.956 0.531 0.401 0.800 0.500 CA 1.569 11 residues pruned to eliminate duplicates Z: 9 12.637 1.715 0.665 0.807 1.000 0.500 CA 1.197 9 residues pruned to eliminate duplicates Z: 19 10.820 2.091 0.354 0.356 0.889 0.444 CB 1.184 19 residues pruned to eliminate duplicates Z: 13 6.060 1.888 0.142 0.382 0.750 0.750 N 1.226 13 residues pruned to eliminate duplicates Z: 13 8.891 1.818 0.465 0.491 0.833 0.583 CA 1.166 13 residues pruned to eliminate duplicates Z: 20 31.552 2.016 0.671 0.932 1.000 0.737 CA 1.501 20 residues pruned to eliminate duplicates Z: 19 14.999 1.827 0.657 0.502 0.889 0.722 CB 1.312 19 residues pruned to eliminate duplicates Z: 22 15.481 1.956 0.428 0.497 0.857 0.524 CB 1.416 22 residues pruned to eliminate duplicates Z: 37 17.212 1.896 0.434 0.410 0.889 0.583 CB 1.304 37 residues pruned to eliminate duplicates Z: 6 4.895 1.740 0.392 0.669 1.000 1.000 CB 0.773 Z: 13 7.160 1.605 0.692 0.420 0.833 0.500 CA 0.993 13 residues pruned to eliminate duplicates Z: 26 18.437 1.927 0.489 0.482 0.920 0.520 CA 1.421 26 residues pruned to eliminate duplicates Z: 7 6.611 1.586 0.442 0.638 0.833 0.667 CA 1.244 Z: 11 4.353 1.691 0.272 0.338 0.700 0.200 CB 1.091 11 residues pruned to eliminate duplicates Z: 6 5.549 1.751 -0.078 0.656 1.000 0.600 CB 1.330 Z: 15 22.629 2.025 0.568 0.869 0.929 0.571 CA 1.498 15 residues pruned to eliminate duplicates Z: 17 8.614 1.750 0.389 0.304 0.875 0.500 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 19.160 2.030 0.277 0.899 1.000 0.824 CB 1.282 18 residues pruned to eliminate duplicates Z: 6 3.066 1.586 0.151 0.431 1.000 0.800 CB 0.807 Z: 9 8.430 1.523 0.742 0.597 1.000 0.750 CB 1.024 9 residues pruned to eliminate duplicates Z: 6 2.663 1.444 0.613 0.293 0.600 0.400 N 1.075 Z: 10 11.840 1.887 0.780 0.700 0.889 0.778 CB 1.101 10 residues pruned to eliminate duplicates Z: 11 4.430 1.446 0.521 0.434 0.700 0.500 CB 0.974 11 residues pruned to eliminate duplicates Z: 6 3.335 1.228 0.217 0.746 1.000 0.800 CB 0.800 6 residues pruned to eliminate duplicates Z: 8 3.836 1.411 0.509 0.439 0.714 0.286 O 1.015 Z: 8 7.437 1.813 -0.055 0.717 1.000 0.429 CB 1.349 8 residues pruned to eliminate duplicates Z: 7 3.262 1.390 0.634 0.353 0.667 0.500 N 1.031 Z: 11 12.117 1.911 0.473 0.380 1.000 0.500 CB 1.546 11 residues pruned to eliminate duplicates Z: 12 2.509 1.600 0.171 0.225 0.636 0.545 CB 0.875 Z: 8 10.149 1.656 0.578 0.661 1.000 0.714 CA 1.264 8 residues pruned to eliminate duplicates Z: 30 18.360 1.998 0.399 0.470 0.931 0.724 CB 1.350 39 residues pruned to eliminate duplicates Z: 6 7.297 1.493 0.879 0.767 1.000 0.600 CA 0.918 6 residues pruned to eliminate duplicates Z: 12 5.710 1.800 0.116 0.414 0.909 0.727 CB 1.031 12 residues pruned to eliminate duplicates Z: 16 23.816 2.024 0.476 0.851 1.000 0.533 CA 1.524 16 residues pruned to eliminate duplicates Z: 9 7.333 1.550 0.251 0.795 1.000 0.750 CB 1.032 9 residues pruned to eliminate duplicates Z: 8 2.275 1.311 0.055 0.452 0.714 0.571 N 0.915 Z: 30 14.249 1.926 0.230 0.413 0.931 0.690 CB 1.313 30 residues pruned to eliminate duplicates Z: 23 19.099 1.922 0.473 0.576 1.000 0.545 CB 1.338 28 residues pruned to eliminate duplicates 6 1.246 1.171 0.510 0.295 0.600 0.400 N 0.661 ? Z: 14 10.578 1.890 0.442 0.333 0.923 0.462 CB 1.399 14 residues pruned to eliminate duplicates Z: 30 15.712 1.903 0.304 0.448 0.897 0.517 CB 1.383 30 residues pruned to eliminate duplicates Z: 26 17.302 1.930 0.537 0.488 0.920 0.520 CB 1.284 26 residues pruned to eliminate duplicates Z: 8 3.900 1.546 0.103 0.478 0.857 0.571 CB 1.031 Z: 36 15.121 1.815 0.451 0.349 0.829 0.514 CB 1.380 36 residues pruned to eliminate duplicates Z: 41 18.241 1.943 0.439 0.406 0.825 0.550 CB 1.380 41 residues pruned to eliminate duplicates Z: 6 5.203 1.679 0.502 0.450 1.000 0.400 N 0.971 Z: 7 2.762 1.542 0.150 0.480 0.833 0.500 CA 0.779 7 residues pruned to eliminate duplicates Z: 7 2.695 1.344 0.390 0.457 0.667 0.500 CA 0.923 7 residues pruned to eliminate duplicates Z: 6 3.108 1.341 -0.071 0.593 1.000 0.600 N 1.021 Z: 12 8.289 1.812 0.709 0.395 0.727 0.636 CA 1.241 12 residues pruned to eliminate duplicates Z: 25 22.577 1.839 0.784 0.557 1.000 0.625 CB 1.329 23 residues pruned to eliminate duplicates Z: 6 4.270 1.533 0.519 0.666 0.600 0.400 CA 1.173 6 residues pruned to eliminate duplicates Z: 8 2.995 1.438 0.281 0.413 0.714 0.571 C 0.942 Z: 9 21.288 2.149 0.834 0.633 1.000 0.875 CA 1.686 9 residues pruned to eliminate duplicates Z: 8 4.462 1.776 0.583 0.439 0.714 0.429 CB 0.894 8 residues pruned to eliminate duplicates Z: 8 6.714 1.594 0.487 0.605 1.000 0.714 CB 0.969 Z: 7 4.209 1.534 0.374 0.406 0.667 0.667 O 1.350 6 residues pruned to eliminate duplicates Z: 6 7.830 1.890 0.432 0.804 0.800 0.600 CB 1.240 6 residues pruned to eliminate duplicates Z: 11 10.090 1.832 0.306 0.535 0.900 0.500 CB 1.432 11 residues pruned to eliminate duplicates Z: 12 7.163 1.746 0.018 0.511 0.909 0.545 CB 1.322 12 residues pruned to eliminate duplicates Z: 8 7.250 1.758 0.076 0.536 1.000 0.857 CA 1.398 8 residues pruned to eliminate duplicates Z: 12 5.191 1.472 0.079 0.495 0.909 0.636 CB 1.089 Z: 18 25.916 2.028 0.772 0.882 1.000 0.412 CB 1.266 20 residues pruned to eliminate duplicates Z: 19 19.352 2.042 0.414 0.892 0.889 0.833 CB 1.276 19 residues pruned to eliminate duplicates Z: 22 20.426 1.931 0.468 0.849 1.000 0.571 CB 1.166 22 residues pruned to eliminate duplicates Z: 8 5.806 1.875 0.264 0.264 1.000 0.429 CB 1.211 8 residues pruned to eliminate duplicates Z: 7 4.715 1.556 0.211 0.656 0.667 0.667 N 1.326 7 residues pruned to eliminate duplicates Z: 8 5.171 1.494 0.229 0.716 1.000 0.857 CA 0.876 Z: 30 18.243 1.873 0.450 0.477 0.931 0.586 CB 1.372 30 residues pruned to eliminate duplicates Z: 20 14.024 1.953 0.377 0.533 0.895 0.632 CB 1.294 20 residues pruned to eliminate duplicates Z: 19 14.257 1.999 0.406 0.439 0.944 0.722 CB 1.349 19 residues pruned to eliminate duplicates Z: 7 4.425 1.694 0.174 0.373 0.833 0.500 CB 1.248 Z: 6 3.250 1.549 0.791 0.483 0.800 0.800 CB 0.666 6 residues pruned to eliminate duplicates Z: 25 16.740 1.989 0.573 0.369 0.833 0.458 CA 1.507 24 residues pruned to eliminate duplicates Z: 21 10.239 1.811 0.578 0.305 0.800 0.550 CB 1.244 21 residues pruned to eliminate duplicates Z: 9 10.887 1.987 0.556 0.564 0.875 0.625 N 1.338 17 residues pruned to eliminate duplicates Z: 22 20.515 2.034 0.473 0.560 1.000 0.619 CA 1.410 22 residues pruned to eliminate duplicates Z: 13 16.873 1.986 0.558 0.888 0.917 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 7 3.315 1.477 0.717 0.405 0.667 0.333 CB 0.884 Z: 7 3.835 1.359 0.874 0.763 0.833 0.833 CB 0.584 Z: 9 8.734 1.746 0.135 0.863 1.000 0.875 CA 1.143 9 residues pruned to eliminate duplicates Z: 11 7.729 1.622 0.485 0.471 0.900 0.600 CA 1.161 11 residues pruned to eliminate duplicates Z: 10 8.339 1.764 0.321 0.532 0.889 0.333 CA 1.300 10 residues pruned to eliminate duplicates Z: 31 16.360 1.913 0.430 0.451 0.933 0.600 CB 1.230 32 residues pruned to eliminate duplicates Z: 15 11.727 1.918 0.406 0.471 0.857 0.500 CB 1.396 15 residues pruned to eliminate duplicates Z: 7 6.683 1.944 -0.037 0.658 1.000 0.667 CA 1.259 7 residues pruned to eliminate duplicates Z: 10 4.443 1.444 0.548 0.598 0.667 0.444 CB 0.905 10 residues pruned to eliminate duplicates Z: 11 7.019 1.841 0.283 0.634 0.900 0.700 CB 0.921 11 residues pruned to eliminate duplicates Z: 11 6.464 1.736 0.310 0.320 0.900 0.500 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 5.190 1.723 0.225 0.426 0.857 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 15 13.485 1.849 0.664 0.526 0.857 0.714 CB 1.331 15 residues pruned to eliminate duplicates Z: 6 3.496 1.456 0.439 0.472 0.800 0.400 CB 0.960 Z: 10 8.644 1.752 0.494 0.528 1.000 0.778 CA 1.071 10 residues pruned to eliminate duplicates Z: 28 13.938 1.982 0.163 0.413 0.963 0.519 CB 1.324 28 residues pruned to eliminate duplicates Z: 21 24.432 1.996 0.682 0.879 0.950 0.700 CB 1.241 21 residues pruned to eliminate duplicates Z: 6 3.035 1.300 0.092 0.812 0.800 0.400 N 0.911 6 residues pruned to eliminate duplicates Z: 7 4.821 1.464 0.288 0.545 1.000 0.333 CB 0.999 Z: 22 15.208 1.911 0.516 0.463 0.905 0.762 CA 1.314 22 residues pruned to eliminate duplicates Z: 31 27.347 2.035 0.393 0.634 1.000 0.600 CB 1.553 58 residues pruned to eliminate duplicates Z: 7 4.045 1.371 0.198 0.353 1.000 0.500 C 1.178 4 residues pruned to eliminate duplicates Z: 33 15.084 2.031 0.315 0.340 0.844 0.531 CB 1.409 33 residues pruned to eliminate duplicates Z: 26 14.756 1.878 0.356 0.427 0.920 0.560 CA 1.359 Z: 6 3.775 1.591 -0.045 0.449 0.800 0.400 C 1.463 6 residues pruned to eliminate duplicates Z: 30 19.688 2.138 0.739 0.298 0.862 0.448 CB 1.428 30 residues pruned to eliminate duplicates Z: 8 8.752 2.161 0.092 0.775 1.000 0.857 CB 1.099 8 residues pruned to eliminate duplicates Z: 7 4.212 1.587 0.290 0.446 0.667 0.333 C 1.332 Z: 6 3.262 1.353 0.237 0.763 1.000 0.800 O 0.690 Z: 17 12.052 1.862 0.308 0.466 0.938 0.562 CB 1.366 17 residues pruned to eliminate duplicates Z: 7 2.464 1.595 0.136 0.248 0.667 0.333 C 1.114 6 residues pruned to eliminate duplicates 6 1.251 1.179 0.473 0.474 0.800 0.600 CB 0.413 ? Z: 12 16.046 2.115 0.355 0.857 1.000 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 7 7.599 1.728 0.473 0.567 1.000 0.500 CB 1.142 7 residues pruned to eliminate duplicates Z: 9 5.113 1.602 0.061 0.629 1.000 0.750 CB 0.941 Z: 8 6.097 1.760 0.321 0.697 0.714 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 12 5.593 1.791 0.096 0.464 0.818 0.545 CB 1.090 10 residues pruned to eliminate duplicates Z: 33 14.991 1.838 0.356 0.392 0.812 0.344 CB 1.467 33 residues pruned to eliminate duplicates Z: 6 2.944 1.452 0.570 0.343 1.000 0.800 CB 0.685 Z: 7 11.162 1.774 1.091 0.531 0.833 0.667 CA 1.429 7 residues pruned to eliminate duplicates Z: 7 4.608 1.659 0.269 0.607 0.833 0.833 CB 0.969 7 residues pruned to eliminate duplicates Z: 7 3.579 1.484 0.242 0.521 0.667 0.333 CA 1.164 6 1.714 1.395 0.928 0.307 0.600 0.400 CB 0.588 ? Z: 6 4.963 2.048 -0.114 0.268 1.000 0.400 CA 1.593 6 residues pruned to eliminate duplicates Z: 15 8.833 1.775 0.478 0.313 0.857 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 26 17.315 1.944 0.463 0.453 0.920 0.560 CA 1.389 26 residues pruned to eliminate duplicates Z: 16 20.905 2.085 0.346 0.821 1.000 0.933 CB 1.456 16 residues pruned to eliminate duplicates Z: 7 2.922 1.435 0.381 0.494 0.667 0.500 C 0.908 Z: 6 6.583 1.571 0.440 0.821 1.000 1.000 CB 0.984 6 residues pruned to eliminate duplicates Z: 46 28.338 2.009 0.594 0.543 0.889 0.622 CA 1.424 46 residues pruned to eliminate duplicates Z: 9 6.026 1.743 0.484 0.521 0.875 0.875 CB 0.922 6 residues pruned to eliminate duplicates Z: 7 3.390 1.535 0.556 0.407 0.833 0.667 CB 0.767 Z: 12 16.589 1.908 1.016 0.541 1.000 0.727 CA 1.249 12 residues pruned to eliminate duplicates Z: 7 3.387 1.418 0.507 0.442 0.667 0.500 CB 1.030 Z: 44 23.375 1.957 0.633 0.456 0.837 0.488 CA 1.393 44 residues pruned to eliminate duplicates Z: 10 4.886 1.597 0.100 0.535 0.778 0.333 CA 1.152 10 residues pruned to eliminate duplicates Z: 26 17.368 1.892 0.456 0.512 0.920 0.720 CB 1.355 26 residues pruned to eliminate duplicates Z: 32 21.204 2.081 0.830 0.395 0.806 0.419 CB 1.385 32 residues pruned to eliminate duplicates Z: 7 3.727 1.348 0.431 0.491 1.000 0.500 CB 0.796 Z: 6 8.117 1.923 0.261 0.683 1.000 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 7 2.320 1.574 0.202 0.369 0.833 0.500 CB 0.691 Z: 8 3.582 1.495 0.439 0.478 0.714 0.429 CB 0.901 Z: 18 14.460 2.033 0.643 0.280 0.882 0.706 CB 1.527 18 residues pruned to eliminate duplicates Z: 21 6.024 1.789 0.223 0.215 0.700 0.300 CB 1.230 21 residues pruned to eliminate duplicates Z: 6 2.996 1.745 0.123 0.179 0.800 0.000 N 1.259 6 residues pruned to eliminate duplicates Z: 6 3.710 1.393 0.354 0.467 0.800 0.400 N 1.137 6 1.666 1.194 0.256 0.517 0.600 0.600 CA 0.815 ? Z: 20 14.631 2.076 0.600 0.381 0.842 0.632 CA 1.362 20 residues pruned to eliminate duplicates Z: 8 2.560 1.240 0.509 0.314 0.714 0.429 O 0.890 8 1.340 1.360 0.149 0.181 0.714 0.571 CB 0.666 ? Z: 11 3.828 1.597 0.393 0.282 0.600 0.500 N 1.159 11 residues pruned to eliminate duplicates Z: 13 8.956 2.028 0.201 0.392 0.833 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 29 14.213 1.897 0.305 0.387 0.929 0.536 CB 1.318 29 residues pruned to eliminate duplicates Z: 9 4.489 1.589 0.143 0.716 0.625 0.500 CB 1.151 9 residues pruned to eliminate duplicates Z: 6 3.863 1.399 0.566 0.399 0.800 0.600 CB 1.096 Z: 6 2.580 1.110 0.494 0.478 0.800 0.600 CB 0.890 Z: 9 3.384 1.374 0.268 0.343 0.875 0.625 CB 0.932 Z: 44 41.403 2.149 0.781 0.684 0.930 0.605 CA 1.498 44 residues pruned to eliminate duplicates Z: 6 4.047 1.600 0.464 0.485 0.600 0.400 O 1.307 Z: 11 7.591 1.857 0.271 0.523 0.900 0.600 CB 1.105 11 residues pruned to eliminate duplicates Z: 9 4.502 1.596 0.775 0.600 0.875 0.875 CB 0.584 8 1.641 1.250 0.133 0.340 0.714 0.429 CA 0.730 ? Z: 12 12.979 1.854 0.543 0.457 1.000 0.727 C 1.429 12 residues pruned to eliminate duplicates Z: 9 13.345 1.828 0.601 0.848 0.875 0.750 CB 1.367 9 residues pruned to eliminate duplicates Z: 10 16.800 1.974 0.620 0.715 1.000 0.667 CB 1.441 10 residues pruned to eliminate duplicates Z: 6 2.796 1.419 0.377 0.527 0.600 0.600 N 1.038 Z: 17 15.693 1.964 0.570 0.659 0.938 0.562 CB 1.171 17 residues pruned to eliminate duplicates Z: 7 8.687 1.875 0.673 0.760 0.833 0.333 CB 1.076 7 residues pruned to eliminate duplicates Z: 8 2.801 1.266 0.587 0.407 0.857 0.429 CA 0.677 Z: 6 8.281 1.848 0.594 0.634 1.000 1.000 CA 1.108 6 residues pruned to eliminate duplicates Z: 9 4.509 1.411 0.354 0.467 0.875 0.500 CB 0.986 Z: 35 14.923 1.896 0.366 0.369 0.882 0.500 CB 1.289 35 residues pruned to eliminate duplicates Z: 6 3.068 1.265 1.317 0.369 0.600 0.400 N 0.897 Z: 13 3.380 1.663 0.190 0.236 0.833 0.250 CB 0.804 11 residues pruned to eliminate duplicates Z: 29 11.513 1.762 0.381 0.369 0.857 0.464 CB 1.200 29 residues pruned to eliminate duplicates Z: 7 2.523 1.537 -0.047 0.388 0.833 0.333 CB 0.951 4 residues pruned to eliminate duplicates Z: 11 11.352 1.780 0.616 0.487 0.900 0.500 CA 1.405 11 residues pruned to eliminate duplicates Z: 13 31.626 2.118 1.048 0.844 1.000 0.750 CA 1.566 13 residues pruned to eliminate duplicates Z: 11 4.202 1.712 0.000 0.260 0.900 0.600 CA 1.135 11 residues pruned to eliminate duplicates Z: 9 6.357 1.595 0.224 0.448 1.000 0.500 CB 1.215 9 residues pruned to eliminate duplicates Z: 12 6.783 1.594 0.410 0.414 0.909 0.545 CB 1.095 12 residues pruned to eliminate duplicates Z: 6 6.337 1.464 0.427 0.708 1.000 0.600 CA 1.123 6 residues pruned to eliminate duplicates Z: 7 2.244 1.264 0.414 0.387 0.667 0.333 C 0.867 Z: 14 11.696 2.037 0.369 0.480 0.923 0.615 CA 1.286 14 residues pruned to eliminate duplicates Z: 13 4.388 1.849 0.265 0.332 0.750 0.583 CB 0.868 13 residues pruned to eliminate duplicates Z: 11 4.999 1.717 0.322 0.321 0.600 0.400 CA 1.412 11 residues pruned to eliminate duplicates Z: 15 11.725 1.575 0.745 0.593 0.857 0.786 CB 1.217 12 residues pruned to eliminate duplicates Z: 6 2.858 1.338 0.380 0.468 0.800 0.400 O 0.894 Using tripeptides from previous cycle as seeds Z: 10 10.422 1.789 0.893 0.453 0.889 0.444 CA 1.212 10 residues pruned to eliminate duplicates Z: 6 2.532 1.484 0.585 0.378 0.600 0.400 CA 0.913 6 residues pruned to eliminate duplicates Z: 10 9.091 1.657 0.648 0.435 0.889 0.556 CA 1.336 10 residues pruned to eliminate duplicates Z: 11 10.414 1.775 0.657 0.409 0.900 0.500 CA 1.368 12 residues pruned to eliminate duplicates Z: 7 3.725 1.406 0.414 0.334 0.833 0.333 CA 1.100 7 residues pruned to eliminate duplicates Z: 9 3.914 1.768 0.435 0.305 0.750 0.375 CB 0.903 9 residues pruned to eliminate duplicates Z: 7 5.747 1.715 0.196 0.604 0.833 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 7 5.356 1.739 0.099 0.520 0.833 0.667 N 1.345 7 residues pruned to eliminate duplicates Z: 8 5.342 1.699 0.084 0.339 1.000 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 9 4.258 1.618 0.130 0.503 0.875 0.750 CB 0.938 Z: 7 4.624 1.619 0.564 0.408 1.000 0.667 CB 0.821 6 residues pruned to eliminate duplicates Z: 7 8.397 1.619 0.557 0.690 0.833 0.500 C 1.372 7 residues pruned to eliminate duplicates Z: 6 4.623 1.554 0.565 0.708 0.600 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 10 5.805 1.830 0.122 0.380 0.889 0.444 CB 1.205 14 residues pruned to eliminate duplicates Z: 7 5.497 1.769 0.818 0.404 0.667 0.667 N 1.158 7 residues pruned to eliminate duplicates Z: 9 10.296 1.901 0.610 0.490 1.000 0.625 CA 1.201 8 residues pruned to eliminate duplicates Z: 6 7.655 1.654 0.940 0.626 1.000 0.600 CB 0.948 6 residues pruned to eliminate duplicates Z: 12 6.080 1.791 0.480 0.367 0.727 0.545 CB 1.097 12 residues pruned to eliminate duplicates Z: 10 7.133 1.883 0.381 0.364 0.889 0.556 CA 1.191 10 residues pruned to eliminate duplicates Z: 10 7.281 1.798 0.484 0.354 0.889 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 6 12.471 1.959 0.809 0.585 1.000 0.200 CB 1.450 6 residues pruned to eliminate duplicates Z: 8 9.216 1.793 0.486 0.608 1.000 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 26 20.360 1.972 0.523 0.448 0.960 0.680 CA 1.490 26 residues pruned to eliminate duplicates Z: 7 7.501 1.769 0.311 0.724 0.833 0.500 O 1.295 7 residues pruned to eliminate duplicates Z: 27 18.443 1.902 0.492 0.443 0.962 0.577 CA 1.404 27 residues pruned to eliminate duplicates Z: 7 5.231 1.849 0.616 0.514 0.667 0.500 CB 1.058 7 residues pruned to eliminate duplicates Z: 25 15.565 1.951 0.580 0.353 0.917 0.542 CB 1.319 25 residues pruned to eliminate duplicates Z: 28 14.674 1.913 0.424 0.362 0.852 0.444 CB 1.413 28 residues pruned to eliminate duplicates Z: 24 14.651 1.955 0.340 0.398 0.957 0.609 CA 1.358 24 residues pruned to eliminate duplicates Z: 26 21.264 1.981 0.556 0.455 0.960 0.600 CA 1.506 26 residues pruned to eliminate duplicates Z: 6 4.334 1.325 0.734 0.424 1.000 0.800 O 0.912 6 residues pruned to eliminate duplicates Z: 27 18.607 1.956 0.508 0.444 0.923 0.500 CB 1.420 27 residues pruned to eliminate duplicates Z: 24 14.963 2.003 0.518 0.326 0.870 0.478 CA 1.428 24 residues pruned to eliminate duplicates Z: 27 18.406 1.922 0.538 0.422 0.962 0.500 CB 1.377 26 residues pruned to eliminate duplicates Z: 6 5.391 1.791 0.379 0.672 0.800 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 7 3.795 1.780 0.256 0.425 1.000 0.500 CA 0.750 7 residues pruned to eliminate duplicates Z: 8 4.354 1.816 0.106 0.384 0.857 0.571 CA 1.082 8 residues pruned to eliminate duplicates Z: 18 10.255 1.862 0.251 0.504 0.941 0.588 CB 1.130 18 residues pruned to eliminate duplicates Z: 16 10.748 1.904 0.568 0.465 0.800 0.333 CA 1.204 16 residues pruned to eliminate duplicates Z: 18 11.598 1.931 0.279 0.492 0.941 0.647 CA 1.220 18 residues pruned to eliminate duplicates Z: 12 11.201 1.932 0.508 0.526 0.909 0.545 CB 1.243 12 residues pruned to eliminate duplicates Z: 6 3.526 1.526 0.590 0.281 0.800 0.600 C 1.040 6 residues pruned to eliminate duplicates Z: 9 10.612 2.081 0.400 0.706 0.875 0.625 CB 1.221 9 residues pruned to eliminate duplicates Z: 11 11.362 2.011 0.377 0.559 1.000 0.700 CB 1.225 11 residues pruned to eliminate duplicates Z: 14 8.783 1.950 0.350 0.440 0.846 0.462 CB 1.164 14 residues pruned to eliminate duplicates Z: 9 8.543 1.845 0.819 0.472 0.750 0.375 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 2.428 1.331 0.861 0.426 0.600 0.400 CA 0.789 6 residues pruned to eliminate duplicates Z: 7 7.897 1.890 0.552 0.633 0.833 0.667 CA 1.165 9 residues pruned to eliminate duplicates Z: 6 4.372 1.773 0.304 0.389 1.000 0.400 CA 0.952 6 residues pruned to eliminate duplicates Z: 29 16.580 2.002 0.299 0.429 0.964 0.571 CB 1.345 31 residues pruned to eliminate duplicates Z: 7 8.472 1.878 0.406 0.441 1.000 0.500 CA 1.392 7 residues pruned to eliminate duplicates Z: 28 13.484 1.980 0.176 0.404 0.963 0.630 CB 1.281 28 residues pruned to eliminate duplicates Z: 30 16.643 1.999 0.308 0.442 0.966 0.690 CB 1.300 30 residues pruned to eliminate duplicates Z: 30 16.571 1.989 0.335 0.453 0.931 0.655 CB 1.305 30 residues pruned to eliminate duplicates Z: 35 17.261 1.939 0.291 0.402 0.971 0.588 CB 1.351 33 residues pruned to eliminate duplicates Z: 6 7.840 2.041 0.347 0.632 0.800 0.600 CA 1.409 6 residues pruned to eliminate duplicates Z: 30 14.877 1.967 0.296 0.418 0.931 0.621 CB 1.268 30 residues pruned to eliminate duplicates Z: 28 16.044 1.969 0.365 0.380 0.963 0.556 CB 1.355 28 residues pruned to eliminate duplicates Z: 32 16.427 1.958 0.268 0.461 0.968 0.581 CB 1.278 32 residues pruned to eliminate duplicates Z: 30 16.591 2.000 0.335 0.430 0.931 0.586 CB 1.333 30 residues pruned to eliminate duplicates Z: 30 16.911 1.983 0.303 0.449 0.966 0.655 CB 1.327 30 residues pruned to eliminate duplicates Z: 29 15.101 1.999 0.268 0.405 0.929 0.643 CB 1.339 29 residues pruned to eliminate duplicates 6 1.885 1.113 0.195 0.483 1.000 0.800 CA 0.645 ? 6 1.797 1.250 0.435 0.398 0.800 0.600 CA 0.624 ? Z: 6 2.980 1.492 0.691 0.273 0.800 0.400 CA 0.855 6 residues pruned to eliminate duplicates Z: 18 9.793 1.923 0.185 0.420 0.941 0.471 CA 1.204 18 residues pruned to eliminate duplicates Z: 20 10.205 1.799 0.262 0.391 0.895 0.526 CA 1.293 20 residues pruned to eliminate duplicates Z: 50 20.968 1.908 0.343 0.397 0.918 0.531 CB 1.419 54 residues pruned to eliminate duplicates Z: 7 5.704 1.676 0.102 0.503 1.000 0.333 CB 1.257 Z: 6 7.315 1.893 0.890 0.407 0.800 0.400 CB 1.261 10 residues pruned to eliminate duplicates Z: 6 4.879 1.915 0.306 0.516 0.600 0.200 CA 1.430 6 residues pruned to eliminate duplicates Z: 14 13.095 2.011 0.465 0.400 1.000 0.538 CB 1.370 12 residues pruned to eliminate duplicates Z: 6 2.538 1.318 0.550 0.445 0.600 0.400 CA 0.979 6 residues pruned to eliminate duplicates Z: 36 25.668 2.049 0.576 0.470 0.943 0.543 CB 1.469 36 residues pruned to eliminate duplicates Z: 37 24.724 1.985 0.518 0.511 0.944 0.556 CA 1.432 37 residues pruned to eliminate duplicates Z: 36 24.314 2.032 0.452 0.489 0.971 0.571 CA 1.450 35 residues pruned to eliminate duplicates Z: 6 4.088 1.801 0.594 0.600 0.600 0.600 CA 0.965 6 residues pruned to eliminate duplicates Z: 22 22.746 2.147 0.628 0.552 0.952 0.714 CB 1.417 22 residues pruned to eliminate duplicates Z: 35 24.779 2.054 0.454 0.485 1.000 0.500 CB 1.444 35 residues pruned to eliminate duplicates Z: 25 20.049 2.065 0.495 0.502 0.917 0.542 CB 1.443 25 residues pruned to eliminate duplicates Z: 35 21.979 2.036 0.528 0.461 0.912 0.588 CB 1.383 35 residues pruned to eliminate duplicates Z: 23 16.613 2.115 0.432 0.513 0.818 0.636 CB 1.410 23 residues pruned to eliminate duplicates Z: 28 22.376 2.106 0.547 0.495 0.889 0.556 CB 1.495 29 residues pruned to eliminate duplicates Z: 6 6.795 1.433 1.131 0.479 0.800 0.600 N 1.271 Z: 26 16.979 2.023 0.462 0.483 0.880 0.480 CB 1.327 32 residues pruned to eliminate duplicates Z: 12 9.668 1.811 0.731 0.567 0.909 0.727 CB 0.959 12 residues pruned to eliminate duplicates Z: 36 20.646 2.032 0.426 0.437 0.914 0.514 CB 1.406 36 residues pruned to eliminate duplicates Z: 11 11.642 1.880 0.840 0.654 1.000 0.600 CB 0.922 11 residues pruned to eliminate duplicates Z: 14 8.414 1.919 0.228 0.435 0.846 0.462 CB 1.252 14 residues pruned to eliminate duplicates Z: 16 9.575 1.905 0.365 0.377 0.867 0.533 CB 1.250 16 residues pruned to eliminate duplicates Z: 66 36.780 2.068 0.552 0.581 0.877 0.646 CB 1.500 66 residues pruned to eliminate duplicates Z: 23 10.344 1.798 0.447 0.340 0.864 0.500 CB 1.168 23 residues pruned to eliminate duplicates Z: 7 5.321 1.474 0.798 0.499 0.833 0.667 CB 0.985 7 residues pruned to eliminate duplicates Z: 17 8.989 1.936 0.543 0.343 0.750 0.500 CB 1.190 17 residues pruned to eliminate duplicates Z: 14 8.828 2.046 0.430 0.344 0.769 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 15 9.577 1.984 0.441 0.369 0.857 0.500 CB 1.202 15 residues pruned to eliminate duplicates Z: 25 12.894 1.959 0.485 0.349 0.792 0.458 CB 1.346 25 residues pruned to eliminate duplicates Z: 16 12.178 1.903 0.417 0.435 1.000 0.533 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 11.799 1.963 0.615 0.340 0.933 0.667 CB 1.225 16 residues pruned to eliminate duplicates Z: 16 12.244 1.918 0.427 0.424 1.000 0.533 CB 1.250 16 residues pruned to eliminate duplicates Z: 19 9.822 1.942 0.647 0.320 0.722 0.444 CB 1.222 19 residues pruned to eliminate duplicates Z: 100 40.547 2.021 0.503 0.498 0.909 0.586 CB 1.478 100 residues pruned to eliminate duplicates Z: 60 35.599 2.021 0.430 0.627 0.949 0.644 CA 1.500 60 residues pruned to eliminate duplicates Z: 9 9.949 2.009 0.866 0.413 0.750 0.250 CA 1.371 9 residues pruned to eliminate duplicates Z: 50 28.808 2.023 0.514 0.530 0.837 0.571 CA 1.559 50 residues pruned to eliminate duplicates Z: 10 10.156 1.875 0.412 0.561 0.778 0.333 CA 1.550 10 residues pruned to eliminate duplicates Z: 12 9.582 1.752 0.567 0.426 0.818 0.364 CA 1.389 12 residues pruned to eliminate duplicates Z: 10 9.502 1.784 0.504 0.505 0.778 0.333 CB 1.511 10 residues pruned to eliminate duplicates Z: 79 40.901 2.030 0.499 0.551 0.949 0.513 CA 1.526 79 residues pruned to eliminate duplicates Z: 74 37.389 2.028 0.479 0.554 0.945 0.521 CB 1.465 74 residues pruned to eliminate duplicates Z: 99 39.851 1.999 0.426 0.541 0.929 0.663 CB 1.461 99 residues pruned to eliminate duplicates Z: 58 37.766 2.061 0.454 0.659 0.965 0.719 CA 1.493 58 residues pruned to eliminate duplicates Z: 53 37.519 2.074 0.581 0.642 0.923 0.673 CA 1.505 53 residues pruned to eliminate duplicates Z: 25 20.654 2.044 0.453 0.664 0.875 0.625 CA 1.393 25 residues pruned to eliminate duplicates Z: 50 30.852 2.064 0.568 0.521 0.898 0.551 CA 1.486 50 residues pruned to eliminate duplicates Z: 47 29.066 2.053 0.438 0.535 0.957 0.587 CA 1.466 47 residues pruned to eliminate duplicates Z: 68 35.997 2.041 0.454 0.558 0.940 0.687 CB 1.489 68 residues pruned to eliminate duplicates Z: 49 37.265 2.036 0.519 0.703 0.979 0.750 CA 1.477 49 residues pruned to eliminate duplicates Z: 46 28.334 2.045 0.421 0.550 0.911 0.533 CA 1.519 46 residues pruned to eliminate duplicates Z: 77 37.138 2.051 0.412 0.550 0.934 0.592 CA 1.499 77 residues pruned to eliminate duplicates Z: 84 39.707 2.039 0.505 0.556 0.904 0.578 CA 1.488 84 residues pruned to eliminate duplicates Z: 64 36.351 2.047 0.450 0.600 0.921 0.667 CA 1.523 64 residues pruned to eliminate duplicates Z: 49 34.547 2.059 0.517 0.641 0.938 0.604 CB 1.493 49 residues pruned to eliminate duplicates Z: 47 36.158 2.075 0.509 0.678 0.978 0.739 CA 1.478 47 residues pruned to eliminate duplicates Z: 71 38.158 2.051 0.412 0.599 0.957 0.614 CA 1.497 71 residues pruned to eliminate duplicates Z: 42 26.137 2.075 0.487 0.553 0.854 0.585 CA 1.471 42 residues pruned to eliminate duplicates Z: 50 31.150 2.040 0.427 0.633 0.939 0.633 CA 1.437 50 residues pruned to eliminate duplicates Z: 35 37.919 2.098 0.577 0.749 1.000 0.647 CA 1.573 35 residues pruned to eliminate duplicates Z: 37 27.141 2.072 0.510 0.601 0.889 0.583 CA 1.477 37 residues pruned to eliminate duplicates Z: 37 28.801 2.067 0.476 0.634 0.917 0.639 CA 1.514 37 residues pruned to eliminate duplicates Z: 43 33.502 2.073 0.544 0.672 0.929 0.571 CA 1.484 43 residues pruned to eliminate duplicates Z: 41 32.977 2.047 0.563 0.676 0.950 0.675 CA 1.459 41 residues pruned to eliminate duplicates Z: 66 35.639 1.959 0.590 0.567 0.908 0.538 CB 1.466 66 residues pruned to eliminate duplicates Z: 42 37.681 2.104 0.542 0.703 0.976 0.756 CA 1.546 42 residues pruned to eliminate duplicates Z: 36 30.569 2.095 0.586 0.588 0.914 0.600 CA 1.564 36 residues pruned to eliminate duplicates Z: 48 37.121 2.086 0.572 0.668 0.936 0.638 CA 1.509 48 residues pruned to eliminate duplicates Z: 64 39.086 2.050 0.548 0.578 0.952 0.444 CA 1.512 64 residues pruned to eliminate duplicates Z: 87 38.372 1.991 0.544 0.521 0.907 0.570 CA 1.453 87 residues pruned to eliminate duplicates Z: 47 28.966 2.058 0.404 0.608 0.891 0.500 CA 1.497 47 residues pruned to eliminate duplicates Z: 29 28.412 2.081 0.484 0.641 0.964 0.643 CB 1.582 29 residues pruned to eliminate duplicates Z: 53 32.667 2.075 0.495 0.602 0.904 0.519 CA 1.467 53 residues pruned to eliminate duplicates Z: 70 40.315 2.073 0.546 0.586 0.913 0.522 CA 1.526 70 residues pruned to eliminate duplicates Z: 44 26.881 2.060 0.441 0.540 0.907 0.465 CA 1.464 44 residues pruned to eliminate duplicates Z: 15 18.127 2.025 0.656 0.618 0.929 0.643 CB 1.392 15 residues pruned to eliminate duplicates Z: 77 37.562 2.055 0.475 0.541 0.908 0.566 CA 1.504 77 residues pruned to eliminate duplicates Z: 39 24.284 2.022 0.540 0.472 0.895 0.553 CB 1.455 39 residues pruned to eliminate duplicates Z: 71 41.940 2.065 0.622 0.597 0.914 0.600 CA 1.492 71 residues pruned to eliminate duplicates Z: 67 36.035 2.051 0.481 0.564 0.924 0.591 CB 1.484 67 residues pruned to eliminate duplicates Z: 60 41.056 2.071 0.566 0.590 0.966 0.424 CA 1.565 60 residues pruned to eliminate duplicates Z: 21 20.787 1.947 0.660 0.624 0.950 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 47 25.697 1.992 0.519 0.496 0.891 0.609 CA 1.411 47 residues pruned to eliminate duplicates Z: 54 30.309 2.026 0.472 0.601 0.906 0.623 CA 1.399 54 residues pruned to eliminate duplicates Z: 23 17.639 1.974 0.606 0.367 0.909 0.545 CA 1.505 23 residues pruned to eliminate duplicates Z: 35 24.480 1.993 0.495 0.491 0.941 0.500 CA 1.510 35 residues pruned to eliminate duplicates Z: 97 34.336 1.986 0.530 0.453 0.833 0.479 CB 1.453 97 residues pruned to eliminate duplicates Z: 20 14.550 1.968 0.565 0.317 0.842 0.526 CB 1.575 20 residues pruned to eliminate duplicates Z: 18 10.235 1.893 0.433 0.334 0.765 0.412 CA 1.435 18 residues pruned to eliminate duplicates Z: 11 14.132 2.177 0.422 0.481 0.900 0.700 CA 1.635 11 residues pruned to eliminate duplicates Z: 25 15.207 1.983 0.422 0.449 0.833 0.542 CB 1.393 25 residues pruned to eliminate duplicates Z: 18 12.083 2.020 0.490 0.355 0.765 0.529 CA 1.490 18 residues pruned to eliminate duplicates Z: 25 17.777 2.033 0.533 0.307 0.917 0.417 CA 1.574 25 residues pruned to eliminate duplicates Z: 6 4.121 1.750 0.110 0.535 0.800 0.600 CB 1.147 6 residues pruned to eliminate duplicates Z: 14 6.492 1.832 0.406 0.435 0.769 0.385 CA 0.972 14 residues pruned to eliminate duplicates Z: 12 7.757 1.861 0.462 0.484 0.727 0.545 CA 1.202 12 residues pruned to eliminate duplicates Z: 14 11.473 1.843 0.542 0.490 0.846 0.538 CB 1.337 13 residues pruned to eliminate duplicates Z: 9 11.121 1.809 0.886 0.784 0.875 0.375 CB 1.026 9 residues pruned to eliminate duplicates Z: 99 39.005 2.018 0.471 0.493 0.898 0.582 CB 1.489 99 residues pruned to eliminate duplicates Z: 18 7.076 1.760 0.527 0.345 0.765 0.353 CB 0.988 18 residues pruned to eliminate duplicates Z: 47 29.918 2.017 0.628 0.485 0.935 0.587 CB 1.459 48 residues pruned to eliminate duplicates Z: 7 3.006 1.329 0.468 0.253 0.833 0.667 CB 1.003 7 residues pruned to eliminate duplicates Z: 13 5.479 1.820 0.319 0.396 0.583 0.333 CB 1.261 13 residues pruned to eliminate duplicates Z: 11 16.175 2.149 0.648 0.572 0.900 0.600 CA 1.497 14 residues pruned to eliminate duplicates Z: 7 6.354 1.523 0.512 0.489 1.000 0.500 CA 1.139 7 residues pruned to eliminate duplicates Z: 12 16.901 2.076 0.742 0.532 0.909 0.455 CB 1.502 12 residues pruned to eliminate duplicates Z: 13 14.525 1.967 0.547 0.475 1.000 0.583 CB 1.413 13 residues pruned to eliminate duplicates Z: 12 15.900 2.080 0.616 0.541 0.909 0.455 CB 1.508 12 residues pruned to eliminate duplicates Z: 14 14.135 2.057 0.556 0.564 0.923 0.538 CB 1.247 14 residues pruned to eliminate duplicates Z: 40 23.043 2.001 0.473 0.497 0.949 0.564 CB 1.324 40 residues pruned to eliminate duplicates Z: 6 5.848 1.659 0.720 0.483 1.000 0.800 CB 0.933 6 residues pruned to eliminate duplicates Z: 41 24.181 1.965 0.573 0.466 0.925 0.575 CB 1.383 41 residues pruned to eliminate duplicates Z: 30 14.600 1.877 0.528 0.334 0.793 0.552 CA 1.430 30 residues pruned to eliminate duplicates Z: 23 9.536 1.912 0.255 0.269 0.864 0.591 CB 1.276 23 residues pruned to eliminate duplicates Z: 24 10.680 1.813 0.383 0.243 0.870 0.435 CB 1.375 24 residues pruned to eliminate duplicates Z: 19 13.468 1.904 0.415 0.399 0.889 0.500 CB 1.475 19 residues pruned to eliminate duplicates Z: 16 9.192 1.877 0.267 0.352 0.800 0.533 CB 1.464 16 residues pruned to eliminate duplicates Z: 16 9.274 1.913 0.306 0.321 0.800 0.533 CB 1.459 16 residues pruned to eliminate duplicates Z: 17 9.512 1.916 0.385 0.288 0.812 0.438 CB 1.398 17 residues pruned to eliminate duplicates Z: 18 8.216 1.878 0.477 0.253 0.824 0.588 CB 1.158 18 residues pruned to eliminate duplicates Z: 16 10.498 1.806 0.341 0.428 0.800 0.600 C 1.508 16 residues pruned to eliminate duplicates Z: 25 13.652 1.984 0.381 0.367 0.833 0.417 CA 1.408 25 residues pruned to eliminate duplicates Z: 17 7.474 1.903 0.419 0.271 0.750 0.500 CB 1.197 17 residues pruned to eliminate duplicates Z: 17 10.577 1.955 0.378 0.266 0.938 0.562 CB 1.366 17 residues pruned to eliminate duplicates Z: 7 4.156 1.950 0.172 0.265 0.833 0.333 CB 1.166 7 residues pruned to eliminate duplicates Z: 6 3.409 1.846 0.830 0.217 0.800 0.600 CA 0.787 6 residues pruned to eliminate duplicates Z: 19 12.258 1.909 0.398 0.380 0.833 0.611 CB 1.477 19 residues pruned to eliminate duplicates Z: 27 16.499 1.942 0.495 0.432 0.846 0.615 CB 1.414 27 residues pruned to eliminate duplicates Z: 21 14.099 1.933 0.428 0.389 0.900 0.450 CB 1.428 21 residues pruned to eliminate duplicates Z: 39 17.825 1.951 0.393 0.367 0.921 0.500 CB 1.333 39 residues pruned to eliminate duplicates Z: 42 18.100 1.952 0.431 0.351 0.902 0.415 CB 1.318 42 residues pruned to eliminate duplicates Z: 42 16.614 1.952 0.252 0.329 0.878 0.415 CB 1.460 42 residues pruned to eliminate duplicates Z: 40 17.012 1.947 0.407 0.347 0.821 0.410 CB 1.432 40 residues pruned to eliminate duplicates Z: 25 12.067 1.825 0.582 0.393 0.667 0.417 CB 1.434 25 residues pruned to eliminate duplicates Z: 30 15.871 1.942 0.390 0.329 0.897 0.414 CB 1.469 30 residues pruned to eliminate duplicates Z: 40 17.421 1.956 0.374 0.339 0.872 0.462 CB 1.420 40 residues pruned to eliminate duplicates Z: 21 13.214 1.942 0.341 0.408 0.950 0.500 CB 1.315 21 residues pruned to eliminate duplicates Z: 19 11.778 2.012 0.246 0.377 0.889 0.333 CB 1.421 19 residues pruned to eliminate duplicates Z: 39 17.512 1.937 0.416 0.300 0.895 0.526 CB 1.447 39 residues pruned to eliminate duplicates Z: 21 10.347 1.888 0.169 0.322 0.900 0.350 CA 1.417 21 residues pruned to eliminate duplicates Z: 14 9.531 1.977 0.215 0.384 0.923 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 23 12.608 1.891 0.310 0.398 0.864 0.409 CB 1.398 23 residues pruned to eliminate duplicates Z: 20 12.178 1.949 0.341 0.340 0.895 0.368 CA 1.421 20 residues pruned to eliminate duplicates Z: 21 12.420 1.896 0.343 0.331 0.950 0.450 CB 1.382 21 residues pruned to eliminate duplicates Z: 12 10.335 1.978 0.360 0.450 0.818 0.545 CB 1.491 12 residues pruned to eliminate duplicates Z: 16 8.975 1.924 0.398 0.274 0.867 0.333 CB 1.284 16 residues pruned to eliminate duplicates Z: 12 8.860 2.020 0.250 0.381 1.000 0.364 CB 1.201 12 residues pruned to eliminate duplicates Z: 29 17.508 1.969 0.454 0.383 0.893 0.429 CB 1.466 29 residues pruned to eliminate duplicates Z: 31 19.115 1.965 0.466 0.399 0.933 0.433 CB 1.444 31 residues pruned to eliminate duplicates Z: 40 17.563 1.990 0.373 0.331 0.846 0.410 CB 1.464 40 residues pruned to eliminate duplicates Z: 15 8.547 1.870 0.274 0.317 0.857 0.571 CA 1.370 15 residues pruned to eliminate duplicates Z: 43 15.055 1.890 0.447 0.304 0.786 0.429 CB 1.344 43 residues pruned to eliminate duplicates Z: 37 16.134 1.971 0.398 0.374 0.806 0.500 CB 1.386 37 residues pruned to eliminate duplicates Z: 30 15.013 1.971 0.404 0.377 0.793 0.552 CB 1.447 30 residues pruned to eliminate duplicates Z: 49 19.007 1.941 0.383 0.351 0.812 0.438 CB 1.478 49 residues pruned to eliminate duplicates Z: 33 15.946 2.017 0.491 0.303 0.781 0.312 CB 1.493 33 residues pruned to eliminate duplicates Z: 17 10.560 2.032 0.373 0.362 0.750 0.500 CA 1.463 17 residues pruned to eliminate duplicates Z: 15 10.573 2.087 0.294 0.418 0.786 0.429 CB 1.451 15 residues pruned to eliminate duplicates Z: 18 8.662 1.972 0.292 0.418 0.647 0.471 CB 1.390 18 residues pruned to eliminate duplicates Z: 14 5.869 1.916 0.218 0.289 0.692 0.385 CB 1.276 14 residues pruned to eliminate duplicates Z: 15 9.926 2.057 0.248 0.346 0.857 0.429 CB 1.425 15 residues pruned to eliminate duplicates Z: 17 9.275 1.904 0.275 0.384 0.750 0.438 CB 1.441 17 residues pruned to eliminate duplicates Z: 18 8.374 1.884 0.123 0.385 0.824 0.412 CB 1.317 18 residues pruned to eliminate duplicates Z: 15 11.861 2.087 0.340 0.395 0.857 0.500 CB 1.477 15 residues pruned to eliminate duplicates Z: 30 12.472 1.777 0.471 0.414 0.793 0.414 CB 1.222 30 residues pruned to eliminate duplicates Z: 36 15.330 1.942 0.429 0.320 0.829 0.371 CB 1.375 36 residues pruned to eliminate duplicates Z: 29 17.895 2.024 0.490 0.387 0.857 0.500 CB 1.476 29 residues pruned to eliminate duplicates Z: 35 19.356 2.032 0.442 0.364 0.794 0.471 CB 1.652 35 residues pruned to eliminate duplicates Z: 31 9.224 1.920 0.266 0.242 0.733 0.333 CB 1.274 31 residues pruned to eliminate duplicates Z: 35 11.487 2.037 0.208 0.285 0.706 0.324 CB 1.445 35 residues pruned to eliminate duplicates Z: 8 4.057 1.966 -0.038 0.250 0.714 0.286 CB 1.514 8 residues pruned to eliminate duplicates Z: 32 21.386 2.030 0.423 0.490 0.839 0.484 CA 1.601 32 residues pruned to eliminate duplicates Z: 27 13.213 1.996 0.290 0.341 0.769 0.500 CA 1.556 27 residues pruned to eliminate duplicates Z: 36 28.562 2.039 0.516 0.546 0.886 0.514 CA 1.685 36 residues pruned to eliminate duplicates Z: 25 24.764 2.157 0.476 0.594 0.875 0.667 CA 1.660 25 residues pruned to eliminate duplicates Z: 37 25.327 1.908 0.589 0.567 0.972 0.639 CB 1.342 37 residues pruned to eliminate duplicates Z: 33 25.351 2.008 0.297 0.594 0.938 0.625 CA 1.678 33 residues pruned to eliminate duplicates Z: 26 29.319 2.068 0.467 0.738 0.960 0.800 CA 1.626 26 residues pruned to eliminate duplicates Z: 79 35.346 2.086 0.470 0.467 0.859 0.526 CB 1.571 79 residues pruned to eliminate duplicates Z: 46 27.466 2.083 0.403 0.522 0.822 0.600 CA 1.667 46 residues pruned to eliminate duplicates Z: 20 23.064 2.040 0.536 0.543 0.947 0.579 CB 1.709 20 residues pruned to eliminate duplicates Z: 26 24.730 2.067 0.382 0.671 0.920 0.720 CA 1.608 26 residues pruned to eliminate duplicates Z: 26 21.458 2.103 0.320 0.644 0.920 0.560 CB 1.468 26 residues pruned to eliminate duplicates Z: 19 24.510 2.172 0.397 0.740 0.944 0.667 CB 1.627 19 residues pruned to eliminate duplicates Z: 45 26.608 2.062 0.477 0.457 0.841 0.455 CA 1.636 45 residues pruned to eliminate duplicates Z: 28 23.841 2.022 0.394 0.633 1.000 0.593 CB 1.437 28 residues pruned to eliminate duplicates Z: 47 23.095 2.003 0.410 0.412 0.826 0.478 CA 1.601 47 residues pruned to eliminate duplicates Z: 22 20.915 2.084 0.316 0.690 0.857 0.619 CB 1.632 22 residues pruned to eliminate duplicates Z: 18 24.170 2.149 0.563 0.582 0.941 0.647 CB 1.713 18 residues pruned to eliminate duplicates Z: 26 23.268 2.013 0.443 0.589 0.920 0.640 CB 1.599 26 residues pruned to eliminate duplicates Z: 23 25.611 2.115 0.495 0.612 0.909 0.727 CA 1.708 23 residues pruned to eliminate duplicates Z: 27 26.217 2.058 0.410 0.667 0.923 0.577 CB 1.644 27 residues pruned to eliminate duplicates Z: 22 25.393 2.078 0.599 0.694 0.857 0.619 CA 1.629 22 residues pruned to eliminate duplicates Z: 21 18.053 2.047 0.665 0.590 0.750 0.550 CB 1.449 21 residues pruned to eliminate duplicates Z: 27 25.794 2.036 0.621 0.598 0.885 0.462 CB 1.578 27 residues pruned to eliminate duplicates Z: 74 32.335 2.042 0.419 0.443 0.890 0.466 CB 1.555 74 residues pruned to eliminate duplicates Z: 36 31.742 2.016 0.584 0.636 0.943 0.457 CB 1.570 36 residues pruned to eliminate duplicates Z: 36 23.215 2.085 0.496 0.478 0.857 0.571 CB 1.501 36 residues pruned to eliminate duplicates Z: 11 5.282 1.816 0.196 0.400 0.800 0.400 CB 1.069 11 residues pruned to eliminate duplicates Z: 8 12.839 1.813 0.711 0.739 0.857 0.286 CB 1.473 8 residues pruned to eliminate duplicates Z: 11 5.598 1.510 0.561 0.381 0.800 0.400 CB 1.065 11 residues pruned to eliminate duplicates Z: 32 23.153 2.103 0.542 0.457 0.903 0.516 CB 1.484 32 residues pruned to eliminate duplicates Z: 33 25.238 2.176 0.529 0.462 0.906 0.562 CB 1.538 33 residues pruned to eliminate duplicates Z: 34 22.411 2.116 0.507 0.440 0.848 0.576 CB 1.534 34 residues pruned to eliminate duplicates Z: 29 19.067 2.086 0.653 0.395 0.821 0.643 CB 1.421 29 residues pruned to eliminate duplicates Z: 27 21.664 2.165 0.677 0.363 0.846 0.423 CB 1.603 27 residues pruned to eliminate duplicates Z: 34 29.810 2.187 0.563 0.486 0.970 0.606 CB 1.587 34 residues pruned to eliminate duplicates Z: 32 28.535 2.243 0.605 0.471 0.935 0.484 CB 1.568 32 residues pruned to eliminate duplicates Z: 14 12.432 2.090 0.928 0.244 0.846 0.385 CB 1.360 14 residues pruned to eliminate duplicates Z: 11 12.242 2.131 0.883 0.288 1.000 0.600 CB 1.223 11 residues pruned to eliminate duplicates Z: 11 10.316 2.189 0.606 0.263 0.800 0.300 CB 1.520 11 residues pruned to eliminate duplicates Z: 28 22.912 2.217 0.540 0.400 0.963 0.444 CB 1.490 28 residues pruned to eliminate duplicates Z: 31 22.936 2.161 0.590 0.350 0.933 0.433 CB 1.537 31 residues pruned to eliminate duplicates Z: 32 27.446 2.130 0.700 0.446 0.968 0.516 CB 1.486 32 residues pruned to eliminate duplicates Z: 22 20.455 2.114 0.590 0.532 0.857 0.714 CB 1.502 22 residues pruned to eliminate duplicates Z: 34 20.350 2.064 0.540 0.411 0.909 0.545 CB 1.346 34 residues pruned to eliminate duplicates Z: 32 22.346 2.120 0.612 0.375 0.903 0.484 CB 1.486 32 residues pruned to eliminate duplicates Z: 21 22.012 2.173 0.463 0.533 0.950 0.600 CB 1.577 21 residues pruned to eliminate duplicates Z: 30 18.607 2.112 0.479 0.326 0.862 0.345 CB 1.553 30 residues pruned to eliminate duplicates Z: 30 23.501 2.136 0.703 0.400 0.897 0.552 CB 1.488 30 residues pruned to eliminate duplicates Z: 29 23.251 2.171 0.676 0.362 0.929 0.500 CB 1.509 29 residues pruned to eliminate duplicates Z: 33 25.002 2.135 0.553 0.403 0.969 0.500 CB 1.524 33 residues pruned to eliminate duplicates Z: 12 20.674 2.163 0.766 0.679 1.000 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 20 19.057 2.167 0.396 0.517 0.947 0.579 CB 1.500 20 residues pruned to eliminate duplicates Z: 58 31.465 2.100 0.604 0.469 0.860 0.474 CB 1.485 57 residues pruned to eliminate duplicates Z: 10 18.484 1.844 0.909 0.837 1.000 0.444 CA 1.309 11 residues pruned to eliminate duplicates Z: 10 14.438 1.845 0.830 0.830 0.778 0.444 CA 1.378 10 residues pruned to eliminate duplicates Z: 9 20.521 1.962 0.901 0.861 1.000 0.625 CA 1.429 9 residues pruned to eliminate duplicates Z: 26 23.324 2.223 0.757 0.425 0.880 0.560 CB 1.467 26 residues pruned to eliminate duplicates Z: 32 14.881 1.967 0.428 0.326 0.839 0.581 CA 1.373 32 residues pruned to eliminate duplicates Z: 12 5.717 2.044 0.147 0.194 0.818 0.455 CB 1.294 12 residues pruned to eliminate duplicates Z: 10 6.835 2.087 0.353 0.224 0.778 0.444 CB 1.433 10 residues pruned to eliminate duplicates Z: 30 15.354 2.007 0.342 0.393 0.828 0.483 CB 1.433 30 residues pruned to eliminate duplicates Z: 9 7.281 2.065 0.403 0.332 0.875 0.625 CB 1.221 9 residues pruned to eliminate duplicates Z: 7 7.751 1.882 0.505 0.385 1.000 0.500 CB 1.262 7 residues pruned to eliminate duplicates Z: 14 6.701 1.835 0.649 0.346 0.846 0.538 CB 0.858 14 residues pruned to eliminate duplicates Z: 30 13.469 2.013 0.286 0.333 0.828 0.517 CB 1.402 30 residues pruned to eliminate duplicates Z: 29 13.994 2.082 0.334 0.313 0.857 0.464 CB 1.365 29 residues pruned to eliminate duplicates Z: 33 14.758 1.957 0.427 0.401 0.781 0.531 CB 1.327 33 residues pruned to eliminate duplicates Z: 6 3.092 1.526 0.714 0.407 0.600 0.600 N 0.971 6 residues pruned to eliminate duplicates Z: 28 12.935 2.043 0.386 0.286 0.778 0.444 CB 1.438 28 residues pruned to eliminate duplicates Z: 28 16.903 2.091 0.446 0.331 0.889 0.519 CB 1.455 28 residues pruned to eliminate duplicates Z: 29 14.452 1.962 0.445 0.352 0.821 0.571 CA 1.377 29 residues pruned to eliminate duplicates Z: 13 10.791 1.895 0.448 0.358 1.000 0.583 CB 1.323 13 residues pruned to eliminate duplicates Z: 42 18.779 2.019 0.415 0.376 0.829 0.561 CB 1.414 42 residues pruned to eliminate duplicates Z: 28 14.412 2.022 0.434 0.303 0.852 0.481 CA 1.398 28 residues pruned to eliminate duplicates Z: 49 19.918 2.016 0.489 0.376 0.792 0.500 CB 1.382 48 residues pruned to eliminate duplicates Z: 6 3.879 1.820 0.044 0.331 0.800 0.000 CB 1.374 6 residues pruned to eliminate duplicates Z: 30 13.760 1.868 0.336 0.425 0.793 0.517 CB 1.397 30 residues pruned to eliminate duplicates Z: 47 20.235 1.992 0.474 0.363 0.804 0.565 CB 1.464 47 residues pruned to eliminate duplicates Z: 24 11.453 1.880 0.441 0.360 0.739 0.391 CB 1.386 24 residues pruned to eliminate duplicates Z: 43 19.373 2.007 0.420 0.347 0.857 0.548 CB 1.446 43 residues pruned to eliminate duplicates Z: 25 16.481 1.862 0.492 0.466 0.958 0.625 CB 1.308 25 residues pruned to eliminate duplicates Z: 24 11.180 1.831 0.415 0.468 0.783 0.609 CB 1.188 24 residues pruned to eliminate duplicates Z: 47 19.929 1.995 0.576 0.389 0.826 0.543 CB 1.272 47 residues pruned to eliminate duplicates Z: 49 20.218 1.976 0.445 0.425 0.771 0.458 CB 1.433 49 residues pruned to eliminate duplicates Z: 50 20.882 2.032 0.431 0.375 0.837 0.551 CB 1.402 50 residues pruned to eliminate duplicates Z: 48 19.557 2.021 0.473 0.378 0.787 0.638 CB 1.386 48 residues pruned to eliminate duplicates Z: 40 19.560 1.979 0.515 0.411 0.821 0.564 CB 1.398 40 residues pruned to eliminate duplicates Z: 23 11.392 1.898 0.322 0.422 0.818 0.455 CB 1.283 23 residues pruned to eliminate duplicates Z: 20 17.199 1.986 0.492 0.514 0.947 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 20 16.098 2.008 0.462 0.493 0.895 0.632 CB 1.416 20 residues pruned to eliminate duplicates Z: 37 19.345 1.968 0.415 0.448 0.861 0.583 CB 1.418 37 residues pruned to eliminate duplicates Z: 47 22.601 2.010 0.523 0.366 0.870 0.630 CB 1.446 47 residues pruned to eliminate duplicates Z: 8 5.510 1.735 0.591 0.591 0.857 0.571 CB 0.807 8 residues pruned to eliminate duplicates Z: 30 13.779 1.888 0.310 0.390 0.828 0.483 CB 1.406 30 residues pruned to eliminate duplicates Z: 50 17.022 1.944 0.541 0.330 0.755 0.531 CB 1.296 50 residues pruned to eliminate duplicates Z: 49 19.149 1.977 0.484 0.343 0.812 0.542 CB 1.376 49 residues pruned to eliminate duplicates Z: 7 2.554 1.403 0.579 0.228 0.833 0.333 CB 0.776 7 residues pruned to eliminate duplicates Z: 33 21.915 2.032 0.451 0.446 0.969 0.656 CB 1.434 33 residues pruned to eliminate duplicates Z: 37 18.348 1.970 0.417 0.467 0.833 0.667 CB 1.360 37 residues pruned to eliminate duplicates Z: 18 15.279 2.017 0.447 0.458 0.941 0.647 CB 1.409 18 residues pruned to eliminate duplicates Z: 65 23.305 2.018 0.433 0.355 0.828 0.547 CB 1.423 65 residues pruned to eliminate duplicates Z: 19 13.220 2.020 0.374 0.388 0.833 0.556 CB 1.518 19 residues pruned to eliminate duplicates Z: 18 11.537 1.988 0.179 0.461 0.824 0.706 CB 1.508 18 residues pruned to eliminate duplicates Z: 16 13.744 2.041 0.385 0.463 0.867 0.733 CB 1.505 16 residues pruned to eliminate duplicates Z: 32 14.680 1.958 0.330 0.340 0.871 0.581 CB 1.384 32 residues pruned to eliminate duplicates Z: 25 15.166 1.950 0.513 0.393 0.833 0.542 CB 1.411 25 residues pruned to eliminate duplicates Z: 17 14.591 2.093 0.321 0.490 0.875 0.750 CB 1.523 17 residues pruned to eliminate duplicates Z: 18 13.990 2.017 0.427 0.451 0.882 0.706 CB 1.404 18 residues pruned to eliminate duplicates Z: 18 14.619 2.031 0.551 0.452 0.824 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 67 22.843 2.012 0.348 0.374 0.833 0.591 CB 1.422 67 residues pruned to eliminate duplicates Z: 45 21.586 2.003 0.500 0.368 0.864 0.591 CB 1.445 45 residues pruned to eliminate duplicates Z: 26 16.104 2.072 0.424 0.412 0.840 0.720 CB 1.425 26 residues pruned to eliminate duplicates Z: 28 17.182 2.059 0.603 0.337 0.852 0.519 CB 1.405 28 residues pruned to eliminate duplicates Z: 13 8.010 1.977 0.520 0.312 0.667 0.417 CB 1.422 13 residues pruned to eliminate duplicates Z: 28 15.463 2.057 0.600 0.331 0.778 0.593 CB 1.399 28 residues pruned to eliminate duplicates Z: 9 8.920 2.141 0.462 0.305 0.750 0.500 CB 1.668 9 residues pruned to eliminate duplicates Z: 97 43.808 2.133 0.666 0.487 0.875 0.510 CB 1.457 97 residues pruned to eliminate duplicates Z: 27 14.866 2.005 0.535 0.389 0.769 0.500 CB 1.385 27 residues pruned to eliminate duplicates Z: 12 9.113 1.939 0.320 0.344 0.818 0.545 CB 1.555 12 residues pruned to eliminate duplicates Z: 55 37.611 2.132 0.625 0.610 0.907 0.759 CA 1.467 55 residues pruned to eliminate duplicates Z: 106 40.737 2.072 0.577 0.458 0.857 0.648 CB 1.482 106 residues pruned to eliminate duplicates Z: 93 52.099 2.148 0.721 0.527 0.935 0.609 CB 1.530 93 residues pruned to eliminate duplicates Z: 55 48.389 2.164 0.795 0.658 0.963 0.685 CA 1.520 55 residues pruned to eliminate duplicates Z: 72 53.990 2.188 0.822 0.608 0.915 0.662 CB 1.584 73 residues pruned to eliminate duplicates Z: 7 2.728 1.601 0.426 0.395 0.667 0.667 CB 0.818 7 residues pruned to eliminate duplicates Z: 57 41.028 2.120 0.734 0.613 0.911 0.625 CB 1.472 57 residues pruned to eliminate duplicates Z: 43 34.615 2.179 0.721 0.570 0.857 0.595 CB 1.552 43 residues pruned to eliminate duplicates Z: 95 50.743 2.139 0.674 0.547 0.936 0.628 CB 1.491 95 residues pruned to eliminate duplicates Z: 29 42.082 2.237 0.910 0.754 0.964 0.857 CA 1.538 29 residues pruned to eliminate duplicates Z: 83 44.441 2.113 0.672 0.554 0.902 0.610 CB 1.460 83 residues pruned to eliminate duplicates Z: 46 39.715 2.162 0.650 0.704 0.956 0.756 CA 1.443 46 residues pruned to eliminate duplicates Z: 31 36.250 2.179 0.685 0.730 1.000 0.800 CA 1.466 31 residues pruned to eliminate duplicates Z: 69 44.283 2.158 0.677 0.561 0.926 0.588 CB 1.509 69 residues pruned to eliminate duplicates Z: 35 31.418 2.144 0.686 0.639 0.912 0.706 CA 1.436 35 residues pruned to eliminate duplicates Z: 30 40.101 2.181 0.880 0.762 0.931 0.724 CB 1.546 30 residues pruned to eliminate duplicates Z: 109 50.545 2.077 0.703 0.536 0.907 0.546 CB 1.463 109 residues pruned to eliminate duplicates Z: 24 28.836 2.088 0.844 0.663 0.957 0.696 CA 1.405 24 residues pruned to eliminate duplicates Z: 45 42.454 2.144 0.759 0.702 0.977 0.705 CA 1.444 45 residues pruned to eliminate duplicates Z: 44 38.483 2.077 0.783 0.591 0.953 0.581 CA 1.523 44 residues pruned to eliminate duplicates Z: 66 42.986 2.120 0.687 0.558 0.938 0.646 CA 1.501 66 residues pruned to eliminate duplicates Z: 45 37.757 2.188 0.727 0.656 0.864 0.523 CA 1.509 45 residues pruned to eliminate duplicates Z: 40 37.071 2.157 0.705 0.632 0.923 0.615 CB 1.545 40 residues pruned to eliminate duplicates Z: 45 46.999 2.204 0.810 0.668 0.977 0.659 CB 1.556 45 residues pruned to eliminate duplicates Z: 39 35.423 2.157 0.714 0.651 0.868 0.526 CB 1.556 39 residues pruned to eliminate duplicates Z: 44 42.565 2.200 0.691 0.690 0.977 0.605 CB 1.502 44 residues pruned to eliminate duplicates Z: 30 45.175 2.219 0.885 0.790 1.000 0.586 CA 1.555 30 residues pruned to eliminate duplicates Z: 34 39.556 2.183 0.694 0.707 1.000 0.606 CA 1.542 34 residues pruned to eliminate duplicates Z: 79 52.895 2.184 0.746 0.585 0.923 0.603 CB 1.569 79 residues pruned to eliminate duplicates Z: 46 39.785 2.157 0.777 0.659 0.911 0.667 CA 1.465 46 residues pruned to eliminate duplicates Z: 43 40.173 2.149 0.824 0.649 0.976 0.595 CA 1.410 43 residues pruned to eliminate duplicates Z: 82 52.354 2.162 0.716 0.567 0.951 0.556 CB 1.545 82 residues pruned to eliminate duplicates Z: 45 42.101 2.172 0.769 0.707 0.955 0.705 CA 1.434 45 residues pruned to eliminate duplicates Z: 47 41.238 2.144 0.747 0.665 0.935 0.587 CB 1.491 47 residues pruned to eliminate duplicates Z: 42 32.088 2.156 0.666 0.531 0.878 0.561 CB 1.542 42 residues pruned to eliminate duplicates Z: 14 16.181 2.038 0.502 0.692 0.923 0.692 CA 1.333 14 residues pruned to eliminate duplicates Z: 85 53.799 2.149 0.782 0.580 0.964 0.571 CB 1.472 83 residues pruned to eliminate duplicates Z: 13 17.234 1.995 0.646 0.797 0.917 0.667 CB 1.274 13 residues pruned to eliminate duplicates Z: 46 43.461 2.170 0.803 0.676 0.978 0.511 CA 1.440 46 residues pruned to eliminate duplicates Z: 32 28.211 2.181 0.735 0.467 0.903 0.452 CA 1.533 32 residues pruned to eliminate duplicates Z: 59 35.476 2.135 0.641 0.534 0.897 0.517 CB 1.434 59 residues pruned to eliminate duplicates Z: 71 47.325 2.162 0.758 0.564 0.929 0.514 CB 1.506 71 residues pruned to eliminate duplicates Z: 80 43.768 2.129 0.607 0.549 0.924 0.557 CB 1.485 80 residues pruned to eliminate duplicates Z: 74 49.139 2.182 0.774 0.603 0.890 0.534 CB 1.513 74 residues pruned to eliminate duplicates Z: 43 31.659 2.105 0.628 0.528 0.952 0.476 CB 1.457 43 residues pruned to eliminate duplicates Z: 59 38.568 2.097 0.732 0.528 0.914 0.500 CB 1.484 59 residues pruned to eliminate duplicates Z: 76 43.655 2.172 0.597 0.545 0.920 0.520 CB 1.512 76 residues pruned to eliminate duplicates Z: 32 27.833 2.186 0.685 0.500 0.903 0.516 CB 1.502 33 residues pruned to eliminate duplicates Z: 6 3.258 1.498 0.571 0.173 0.800 0.400 N 1.151 6 residues pruned to eliminate duplicates Z: 27 21.544 2.164 0.653 0.350 0.923 0.462 CB 1.505 27 residues pruned to eliminate duplicates Z: 70 47.980 2.194 0.755 0.577 0.899 0.478 CB 1.549 70 residues pruned to eliminate duplicates Z: 32 28.968 2.173 0.776 0.486 0.935 0.484 CB 1.461 32 residues pruned to eliminate duplicates Z: 73 47.658 2.168 0.678 0.567 0.972 0.486 CB 1.489 73 residues pruned to eliminate duplicates Z: 71 55.030 2.190 0.876 0.618 0.957 0.543 CB 1.495 71 residues pruned to eliminate duplicates Z: 6 7.165 1.781 0.772 0.405 0.800 0.600 C 1.403 6 residues pruned to eliminate duplicates Z: 75 54.487 2.175 0.878 0.619 0.946 0.595 CB 1.465 75 residues pruned to eliminate duplicates Z: 26 17.807 2.177 0.689 0.353 0.880 0.400 CB 1.290 26 residues pruned to eliminate duplicates Z: 41 27.594 2.128 0.675 0.429 0.875 0.400 CB 1.507 41 residues pruned to eliminate duplicates Z: 20 20.838 2.075 0.727 0.530 0.895 0.421 CB 1.448 20 residues pruned to eliminate duplicates Z: 75 50.661 2.172 0.761 0.591 0.946 0.581 CB 1.492 75 residues pruned to eliminate duplicates Z: 84 50.669 2.146 0.850 0.565 0.916 0.542 CB 1.437 84 residues pruned to eliminate duplicates Z: 10 13.889 1.763 0.844 0.829 0.889 0.778 CB 1.205 10 residues pruned to eliminate duplicates Z: 31 23.770 2.110 0.789 0.424 0.867 0.533 CB 1.437 31 residues pruned to eliminate duplicates Z: 71 54.928 2.206 0.784 0.595 0.986 0.529 CB 1.546 71 residues pruned to eliminate duplicates Z: 59 40.255 2.148 0.792 0.554 0.914 0.379 CB 1.426 59 residues pruned to eliminate duplicates Z: 30 27.288 2.143 0.753 0.467 0.931 0.517 CB 1.499 30 residues pruned to eliminate duplicates Z: 75 44.987 2.148 0.672 0.580 0.878 0.581 CA 1.535 75 residues pruned to eliminate duplicates Z: 15 16.427 1.913 0.801 0.624 0.786 0.571 CA 1.443 15 residues pruned to eliminate duplicates Z: 31 19.029 1.894 0.479 0.467 0.867 0.500 CA 1.479 30 residues pruned to eliminate duplicates Z: 6 5.084 1.862 0.412 0.424 1.000 0.400 CA 0.935 6 residues pruned to eliminate duplicates Z: 12 9.131 1.928 0.106 0.476 0.909 0.636 CA 1.457 12 residues pruned to eliminate duplicates Z: 31 15.064 1.891 0.354 0.426 0.800 0.533 CB 1.451 31 residues pruned to eliminate duplicates Z: 30 16.774 1.882 0.397 0.495 0.828 0.517 CA 1.439 30 residues pruned to eliminate duplicates Z: 12 10.200 1.953 0.200 0.481 0.909 0.364 CA 1.472 12 residues pruned to eliminate duplicates Z: 22 11.498 1.834 0.564 0.421 0.714 0.476 CB 1.330 22 residues pruned to eliminate duplicates Z: 34 15.611 1.823 0.390 0.435 0.848 0.545 CA 1.352 34 residues pruned to eliminate duplicates Z: 30 17.101 1.912 0.367 0.461 0.897 0.655 CA 1.410 30 residues pruned to eliminate duplicates Z: 6 2.077 1.508 1.032 0.254 0.600 0.400 CB 0.670 6 residues pruned to eliminate duplicates Z: 33 19.611 1.870 0.456 0.449 0.906 0.625 CB 1.480 33 residues pruned to eliminate duplicates Z: 16 12.092 1.848 0.302 0.493 0.933 0.600 CA 1.400 16 residues pruned to eliminate duplicates Z: 28 16.111 1.887 0.370 0.431 0.889 0.593 CA 1.449 28 residues pruned to eliminate duplicates Z: 18 15.018 1.898 0.456 0.512 0.941 0.588 CA 1.384 17 residues pruned to eliminate duplicates Z: 15 12.807 1.921 0.305 0.523 0.929 0.643 CA 1.438 15 residues pruned to eliminate duplicates Z: 15 9.763 1.782 0.391 0.444 0.929 0.500 CA 1.201 15 residues pruned to eliminate duplicates Z: 11 11.329 1.890 0.361 0.565 0.900 0.700 CA 1.453 11 residues pruned to eliminate duplicates Z: 33 15.295 1.846 0.373 0.471 0.812 0.594 CA 1.352 33 residues pruned to eliminate duplicates Z: 14 7.237 1.789 0.328 0.415 0.692 0.538 CA 1.334 14 residues pruned to eliminate duplicates Z: 33 17.896 1.866 0.438 0.436 0.875 0.500 CA 1.439 33 residues pruned to eliminate duplicates Z: 30 15.412 1.858 0.469 0.424 0.793 0.379 CA 1.430 30 residues pruned to eliminate duplicates Z: 12 9.216 1.869 0.233 0.554 0.818 0.636 CA 1.399 12 residues pruned to eliminate duplicates Z: 18 13.913 1.898 0.576 0.536 0.882 0.706 CB 1.234 18 residues pruned to eliminate duplicates Z: 31 17.480 1.874 0.544 0.432 0.833 0.533 CB 1.420 31 residues pruned to eliminate duplicates Z: 15 8.834 1.888 0.373 0.316 0.857 0.357 CB 1.301 15 residues pruned to eliminate duplicates Z: 10 6.427 1.719 0.364 0.326 0.889 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 9 5.667 1.837 0.393 0.326 0.875 0.750 CA 1.083 9 residues pruned to eliminate duplicates Z: 11 5.242 1.753 0.112 0.236 0.900 0.600 N 1.284 11 residues pruned to eliminate duplicates Z: 10 5.722 1.777 0.336 0.261 0.889 0.556 CA 1.188 10 residues pruned to eliminate duplicates Z: 8 6.371 1.977 0.243 0.350 0.857 0.857 CA 1.345 8 residues pruned to eliminate duplicates Z: 17 8.850 1.825 0.378 0.312 0.812 0.375 CA 1.333 17 residues pruned to eliminate duplicates Z: 17 11.709 1.794 0.591 0.380 0.875 0.250 CB 1.332 17 residues pruned to eliminate duplicates Z: 13 8.047 1.582 0.616 0.500 0.917 0.250 CB 0.991 17 residues pruned to eliminate duplicates Z: 8 2.819 1.723 0.247 0.293 0.571 0.286 CA 1.095 8 residues pruned to eliminate duplicates Z: 7 4.046 1.626 0.580 0.518 0.833 0.333 CA 0.758 7 residues pruned to eliminate duplicates Z: 6 4.936 1.717 1.295 0.369 0.600 0.400 CB 1.075 Z: 7 4.279 1.538 0.912 0.401 0.667 0.500 CA 0.988 Z: 17 14.154 1.885 0.747 0.398 0.875 0.562 CB 1.367 20 residues pruned to eliminate duplicates Z: 6 5.566 1.682 0.583 0.297 1.000 0.200 CA 1.173 6 residues pruned to eliminate duplicates Z: 11 22.834 2.046 1.216 0.567 0.900 0.700 CA 1.659 11 residues pruned to eliminate duplicates Z: 13 15.287 2.017 1.185 0.465 0.750 0.667 CB 1.384 13 residues pruned to eliminate duplicates Z: 19 13.476 1.786 0.631 0.358 0.944 0.556 CB 1.346 19 residues pruned to eliminate duplicates Z: 17 11.381 1.789 0.734 0.291 0.875 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 30 19.885 1.998 0.795 0.427 0.828 0.586 CB 1.343 30 residues pruned to eliminate duplicates Z: 21 19.036 1.939 0.770 0.450 0.850 0.650 CB 1.536 21 residues pruned to eliminate duplicates Z: 30 24.134 1.952 0.995 0.375 0.828 0.517 CA 1.589 36 residues pruned to eliminate duplicates 6 1.358 1.349 0.966 0.268 0.400 0.400 N 0.746 ? Z: 6 6.076 1.490 0.989 0.276 1.000 0.800 C 1.182 6 residues pruned to eliminate duplicates Z: 12 6.917 1.814 0.621 0.191 0.818 0.364 N 1.254 12 residues pruned to eliminate duplicates Z: 27 21.290 1.977 0.933 0.382 0.846 0.577 CB 1.464 31 residues pruned to eliminate duplicates Z: 7 5.884 1.781 0.501 0.444 0.833 0.167 CA 1.142 6 residues pruned to eliminate duplicates Z: 6 5.519 1.669 0.763 0.269 1.000 0.000 CA 1.090 6 residues pruned to eliminate duplicates Z: 6 8.195 1.764 0.619 0.666 1.000 1.000 CA 1.101 6 residues pruned to eliminate duplicates Z: 32 20.500 1.959 0.660 0.522 0.839 0.645 CA 1.321 32 residues pruned to eliminate duplicates Z: 27 17.185 1.953 0.671 0.529 0.846 0.692 CA 1.186 27 residues pruned to eliminate duplicates Z: 35 33.306 1.936 0.768 0.715 0.971 0.559 CB 1.415 35 residues pruned to eliminate duplicates Z: 41 24.414 1.916 0.606 0.575 0.875 0.575 CB 1.334 41 residues pruned to eliminate duplicates Z: 64 35.682 1.954 0.656 0.560 0.952 0.635 CB 1.376 38 residues pruned to eliminate duplicates Z: 19 31.300 2.051 0.836 0.920 0.944 0.556 CB 1.461 19 residues pruned to eliminate duplicates Z: 65 35.396 1.971 0.667 0.597 0.938 0.578 CB 1.309 65 residues pruned to eliminate duplicates Z: 34 27.662 1.963 0.692 0.651 0.939 0.697 CB 1.341 34 residues pruned to eliminate duplicates Z: 47 36.114 1.969 0.754 0.685 0.935 0.761 CB 1.393 47 residues pruned to eliminate duplicates Z: 36 30.196 1.966 0.707 0.629 0.943 0.600 CB 1.428 36 residues pruned to eliminate duplicates Z: 34 31.339 2.004 0.789 0.676 0.939 0.697 CB 1.377 34 residues pruned to eliminate duplicates Z: 39 29.921 1.944 0.826 0.608 0.895 0.579 CB 1.379 39 residues pruned to eliminate duplicates Z: 38 30.907 1.983 0.675 0.633 0.919 0.595 CB 1.470 38 residues pruned to eliminate duplicates Z: 35 31.074 1.993 0.824 0.647 0.912 0.529 CA 1.402 35 residues pruned to eliminate duplicates Z: 39 25.407 1.935 0.664 0.576 0.895 0.500 CB 1.329 39 residues pruned to eliminate duplicates Z: 20 15.490 1.850 0.632 0.654 0.842 0.526 CB 1.211 20 residues pruned to eliminate duplicates Z: 41 30.484 1.932 0.567 0.698 0.925 0.600 CA 1.437 41 residues pruned to eliminate duplicates Z: 14 7.474 1.674 0.352 0.500 0.692 0.538 CA 1.323 14 residues pruned to eliminate duplicates Z: 14 7.433 1.672 0.361 0.485 0.769 0.462 CA 1.195 8 residues pruned to eliminate duplicates Z: 11 12.141 1.800 0.180 0.904 1.000 0.900 CA 1.287 11 residues pruned to eliminate duplicates Z: 15 20.812 1.985 0.762 0.696 1.000 0.714 CA 1.330 15 residues pruned to eliminate duplicates Z: 32 19.671 1.952 0.623 0.515 0.903 0.645 CB 1.217 32 residues pruned to eliminate duplicates Z: 17 15.496 1.871 0.683 0.611 0.938 0.625 CB 1.181 17 residues pruned to eliminate duplicates Z: 63 41.224 2.006 0.654 0.617 0.952 0.597 CB 1.485 36 residues pruned to eliminate duplicates Z: 12 18.194 1.650 0.892 0.807 1.000 0.727 CA 1.344 12 residues pruned to eliminate duplicates Z: 23 17.942 1.940 0.441 0.534 0.955 0.636 CB 1.386 23 residues pruned to eliminate duplicates Z: 31 24.848 1.992 0.694 0.524 0.967 0.533 CB 1.358 31 residues pruned to eliminate duplicates Z: 55 35.519 2.003 0.705 0.567 0.963 0.667 CB 1.377 51 residues pruned to eliminate duplicates Z: 6 9.605 1.883 0.968 0.207 1.000 0.000 CB 1.639 Z: 15 8.981 1.837 0.651 0.167 0.929 0.286 CB 1.278 15 residues pruned to eliminate duplicates Z: 56 35.536 2.023 0.546 0.581 0.982 0.673 CB 1.443 56 residues pruned to eliminate duplicates Z: 29 23.803 2.035 0.817 0.540 0.929 0.500 CB 1.260 29 residues pruned to eliminate duplicates Z: 31 18.445 1.996 0.578 0.339 0.900 0.533 CA 1.416 31 residues pruned to eliminate duplicates Z: 54 29.071 1.959 0.701 0.459 0.887 0.642 CB 1.409 51 residues pruned to eliminate duplicates Z: 7 4.854 1.566 0.826 0.280 0.833 0.500 CB 1.066 7 residues pruned to eliminate duplicates Z: 61 35.684 1.955 0.688 0.525 0.967 0.650 CA 1.409 61 residues pruned to eliminate duplicates Z: 23 18.831 2.062 0.773 0.344 0.909 0.500 CA 1.431 23 residues pruned to eliminate duplicates Z: 64 38.400 2.000 0.719 0.543 0.968 0.587 CB 1.393 34 residues pruned to eliminate duplicates Z: 6 3.036 1.696 0.279 0.330 0.800 0.400 CA 0.943 Z: 32 18.664 1.856 0.429 0.531 0.871 0.710 CB 1.408 32 residues pruned to eliminate duplicates Z: 55 34.140 2.005 0.708 0.518 0.926 0.667 CA 1.438 55 residues pruned to eliminate duplicates Z: 35 27.095 2.004 0.562 0.637 0.941 0.735 CA 1.388 35 residues pruned to eliminate duplicates Z: 24 20.955 2.003 0.624 0.585 0.870 0.739 CB 1.425 24 residues pruned to eliminate duplicates Z: 40 31.476 2.083 0.838 0.483 0.897 0.513 CB 1.492 40 residues pruned to eliminate duplicates Z: 14 4.737 1.517 0.396 0.157 0.769 0.308 CB 1.227 11 residues pruned to eliminate duplicates 8 1.808 1.161 0.315 0.319 0.857 0.429 CB 0.638 ? 698 residues left after pruning, divided into chains as follows: A: 12 B: 8 C: 11 D: 26 E: 18 F: 8 G: 49 H: 35 I: 107 J: 142 K: 147 L: 28 M: 17 N: 27 O: 63 CC for partial structure against native data = 26.43 % ------------------------------------------------------------------------------ Global autotracing cycle 15 = 0.300, Contrast = 0.390, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.447, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.541, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.555, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6615 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1256 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 43 15.828 1.908 0.322 0.365 0.857 0.548 CB 1.306 B: 26 22.395 2.141 0.710 0.366 0.920 0.520 CB 1.537 C: 19 11.344 1.985 0.344 0.369 0.833 0.444 CA 1.384 D: 9 9.134 1.559 0.587 0.851 1.000 0.625 CA 0.966 8 residues pruned to eliminate duplicates E: 20 21.671 2.034 0.298 0.860 0.947 0.684 CA 1.462 F: 11 16.694 2.121 0.494 0.846 0.900 0.600 CB 1.375 G: 16 24.225 2.101 0.462 0.914 1.000 0.933 CA 1.440 18 residues pruned to eliminate duplicates H: 9 7.137 1.603 0.362 0.725 0.875 0.375 CB 1.078 9 residues pruned to eliminate duplicates I: 15 20.840 2.195 0.235 0.899 1.000 0.714 CB 1.469 J: 8 9.917 1.604 0.378 0.897 1.000 0.571 CB 1.213 8 residues pruned to eliminate duplicates K: 9 21.692 2.140 0.746 0.915 1.000 0.875 CA 1.450 9 residues pruned to eliminate duplicates L: 16 12.598 1.988 0.521 0.470 0.800 0.667 CB 1.386 16 residues pruned to eliminate duplicates M: 21 41.204 2.254 0.779 0.879 1.000 0.700 CB 1.667 N: 19 26.277 1.988 0.486 0.916 1.000 0.611 CA 1.480 17 residues pruned to eliminate duplicates O: 22 39.613 2.131 1.021 0.931 0.952 0.571 CB 1.473 22 residues pruned to eliminate duplicates P: 20 24.849 1.875 0.506 0.873 1.000 0.947 CB 1.470 Q: 13 17.197 1.900 0.312 0.896 1.000 0.917 CA 1.427 13 residues pruned to eliminate duplicates R: 20 27.916 2.254 0.661 0.886 0.842 0.474 CB 1.466 20 residues pruned to eliminate duplicates S: 22 40.732 2.194 0.825 0.908 1.000 0.571 CB 1.576 22 residues pruned to eliminate duplicates T: 18 18.621 2.073 0.416 0.865 0.824 0.647 CB 1.368 14 residues pruned to eliminate duplicates U: 34 25.541 2.130 0.602 0.417 0.939 0.515 CB 1.511 26 residues pruned to eliminate duplicates V: 8 6.684 1.786 0.638 0.355 0.857 0.571 CB 1.178 W: 19 13.040 1.929 0.503 0.392 0.833 0.611 CB 1.425 19 residues pruned to eliminate duplicates X: 22 40.580 2.187 0.888 0.926 1.000 0.762 CB 1.504 21 residues pruned to eliminate duplicates Y: 13 15.809 2.192 0.681 0.424 0.917 0.583 CB 1.463 8 residues pruned to eliminate duplicates Z: 23 16.654 2.097 0.326 0.521 0.909 0.636 CB 1.375 Z: 22 37.404 2.184 0.590 0.929 1.000 0.810 CB 1.645 22 residues pruned to eliminate duplicates Z: 7 13.655 2.145 0.171 0.858 1.000 0.500 CB 1.634 Z: 75 42.074 2.054 0.580 0.567 0.932 0.568 CA 1.514 31 residues pruned to eliminate duplicates Z: 18 23.189 2.065 0.618 0.683 0.882 0.647 CA 1.613 18 residues pruned to eliminate duplicates Z: 19 21.854 2.105 0.255 0.873 0.889 0.667 CA 1.597 19 residues pruned to eliminate duplicates Z: 22 31.659 2.203 0.510 0.892 0.952 0.810 CB 1.567 22 residues pruned to eliminate duplicates Z: 17 12.354 2.025 0.407 0.468 0.750 0.500 CA 1.492 Z: 66 48.328 2.161 0.834 0.597 0.938 0.492 CB 1.468 37 residues pruned to eliminate duplicates Z: 16 25.640 2.151 0.535 0.880 1.000 0.867 CA 1.452 16 residues pruned to eliminate duplicates Z: 22 37.238 2.127 0.720 0.893 1.000 0.667 CB 1.596 22 residues pruned to eliminate duplicates Z: 16 10.136 2.062 0.170 0.443 0.733 0.467 CA 1.568 16 residues pruned to eliminate duplicates Z: 12 15.238 1.991 0.787 0.847 0.909 0.727 CB 1.055 12 residues pruned to eliminate duplicates Z: 21 37.182 2.219 0.832 0.875 0.950 0.900 CB 1.566 21 residues pruned to eliminate duplicates Z: 22 18.612 2.131 0.417 0.554 0.952 0.571 CB 1.341 23 residues pruned to eliminate duplicates Z: 62 26.052 2.002 0.507 0.393 0.902 0.590 CB 1.373 62 residues pruned to eliminate duplicates Z: 19 23.471 2.044 0.295 0.867 0.944 0.667 CA 1.619 19 residues pruned to eliminate duplicates Z: 8 15.622 1.994 0.414 0.860 1.000 0.714 CB 1.540 7 residues pruned to eliminate duplicates Z: 11 9.547 1.752 0.208 0.807 0.900 0.600 CA 1.212 10 residues pruned to eliminate duplicates Z: 19 22.664 2.031 0.525 0.871 0.944 0.667 CB 1.332 19 residues pruned to eliminate duplicates Z: 15 17.541 2.151 0.411 0.874 0.857 0.786 CB 1.312 15 residues pruned to eliminate duplicates Z: 22 41.173 2.174 0.853 0.909 1.000 0.810 CB 1.584 22 residues pruned to eliminate duplicates Z: 19 15.370 1.935 0.616 0.467 0.833 0.444 CA 1.437 19 residues pruned to eliminate duplicates Z: 26 17.094 1.983 0.511 0.382 0.840 0.400 CA 1.540 25 residues pruned to eliminate duplicates Z: 9 7.169 1.844 0.209 0.780 0.875 0.750 CB 1.014 9 residues pruned to eliminate duplicates Z: 90 36.839 2.018 0.453 0.555 0.876 0.562 CA 1.440 73 residues pruned to eliminate duplicates Z: 21 21.067 2.021 0.168 0.879 0.950 0.800 CA 1.523 21 residues pruned to eliminate duplicates Z: 21 40.553 2.216 0.751 0.914 1.000 0.900 CB 1.653 21 residues pruned to eliminate duplicates Z: 17 26.701 2.090 0.668 0.903 0.938 0.750 CA 1.455 17 residues pruned to eliminate duplicates Z: 37 20.958 1.963 0.435 0.465 0.944 0.722 CB 1.360 22 residues pruned to eliminate duplicates Z: 15 11.570 1.919 0.658 0.414 0.857 0.571 CA 1.241 Z: 11 8.148 1.938 0.509 0.334 0.700 0.400 CB 1.510 11 residues pruned to eliminate duplicates Z: 34 28.358 2.132 0.701 0.496 0.879 0.636 CB 1.555 35 residues pruned to eliminate duplicates Z: 19 20.323 2.017 0.237 0.872 0.944 0.944 CA 1.481 19 residues pruned to eliminate duplicates Z: 24 18.137 2.045 0.429 0.537 0.913 0.696 CA 1.367 24 residues pruned to eliminate duplicates Z: 8 5.912 1.897 0.493 0.403 0.714 0.714 CB 1.223 Z: 25 18.833 2.128 0.409 0.510 0.917 0.667 CA 1.384 25 residues pruned to eliminate duplicates Z: 21 25.081 1.960 0.662 0.628 1.000 0.650 CB 1.526 22 residues pruned to eliminate duplicates Z: 33 25.516 2.153 0.569 0.475 0.906 0.531 CB 1.510 33 residues pruned to eliminate duplicates Z: 15 8.000 1.899 0.078 0.389 0.929 0.571 CB 1.266 Z: 15 17.636 1.860 0.616 0.656 0.929 0.714 CA 1.461 Z: 15 7.875 1.997 0.189 0.462 0.786 0.571 CB 1.173 15 residues pruned to eliminate duplicates Z: 20 43.046 2.256 0.935 0.916 1.000 0.684 CB 1.598 20 residues pruned to eliminate duplicates Z: 46 24.902 2.032 0.475 0.495 0.844 0.489 CB 1.475 46 residues pruned to eliminate duplicates Z: 12 9.112 1.950 0.299 0.513 0.909 0.636 CB 1.178 Z: 13 9.884 1.796 0.459 0.504 0.750 0.583 C 1.446 Z: 29 15.797 1.961 0.272 0.454 0.964 0.607 CB 1.301 14 residues pruned to eliminate duplicates Z: 7 6.084 1.743 -0.075 0.682 1.000 0.833 CB 1.303 Z: 24 14.178 1.999 0.490 0.362 0.826 0.435 CB 1.394 17 residues pruned to eliminate duplicates Z: 7 12.064 1.761 0.451 0.853 1.000 0.833 CA 1.424 7 residues pruned to eliminate duplicates Z: 22 20.220 2.019 0.636 0.621 0.905 0.857 CA 1.317 13 residues pruned to eliminate duplicates Z: 8 11.881 2.073 0.266 0.795 0.857 0.571 CA 1.542 8 residues pruned to eliminate duplicates Z: 33 26.610 2.121 0.627 0.454 0.938 0.562 CB 1.525 33 residues pruned to eliminate duplicates Z: 12 12.976 1.786 0.450 0.882 1.000 0.727 CA 1.093 12 residues pruned to eliminate duplicates Z: 28 22.109 2.128 0.625 0.428 0.889 0.593 CB 1.492 28 residues pruned to eliminate duplicates Z: 7 4.932 1.435 0.704 0.656 0.667 0.667 N 1.069 Z: 76 38.900 2.055 0.508 0.560 0.933 0.560 CA 1.466 76 residues pruned to eliminate duplicates Z: 12 6.445 1.864 0.193 0.510 0.818 0.636 CB 1.057 12 residues pruned to eliminate duplicates Z: 16 9.442 1.971 0.184 0.469 0.867 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 11 11.889 1.698 0.862 0.524 0.900 0.800 CA 1.290 Z: 24 13.857 1.685 0.650 0.531 0.826 0.435 CB 1.221 15 residues pruned to eliminate duplicates Z: 24 18.407 2.079 0.425 0.524 0.913 0.739 CB 1.385 24 residues pruned to eliminate duplicates Z: 9 15.863 1.913 0.556 0.853 1.000 0.750 CA 1.393 9 residues pruned to eliminate duplicates Z: 42 29.554 2.088 0.787 0.452 0.878 0.585 CA 1.481 47 residues pruned to eliminate duplicates Z: 21 30.643 2.003 0.547 0.920 1.000 0.850 CB 1.558 19 residues pruned to eliminate duplicates Z: 9 14.521 1.944 0.373 0.846 1.000 0.500 CB 1.429 9 residues pruned to eliminate duplicates Z: 19 12.015 1.917 0.223 0.413 0.944 0.722 CA 1.400 Z: 21 39.128 2.210 1.011 0.900 0.900 0.650 CB 1.562 21 residues pruned to eliminate duplicates Z: 18 27.068 2.131 0.403 0.883 1.000 0.824 CA 1.588 18 residues pruned to eliminate duplicates Z: 13 11.098 1.815 0.652 0.385 0.917 0.500 N 1.317 Z: 31 12.426 1.934 0.322 0.369 0.767 0.567 CB 1.331 31 residues pruned to eliminate duplicates Z: 31 18.090 1.935 0.481 0.454 0.867 0.667 CB 1.394 31 residues pruned to eliminate duplicates Z: 23 12.810 1.861 0.467 0.398 0.818 0.500 CB 1.362 15 residues pruned to eliminate duplicates Z: 12 13.626 1.785 0.535 0.871 1.000 0.818 CB 1.094 12 residues pruned to eliminate duplicates Z: 30 19.795 2.000 0.723 0.381 0.862 0.517 CB 1.405 Z: 23 18.273 2.098 0.482 0.506 0.909 0.636 CB 1.370 23 residues pruned to eliminate duplicates Z: 22 33.341 2.104 0.813 0.921 1.000 0.810 CB 1.342 22 residues pruned to eliminate duplicates Z: 22 19.431 1.880 0.209 0.858 0.952 0.714 CB 1.443 22 residues pruned to eliminate duplicates Z: 9 12.180 1.899 0.426 0.812 0.750 0.750 CB 1.617 9 residues pruned to eliminate duplicates Z: 83 33.437 1.976 0.501 0.500 0.866 0.512 CA 1.438 83 residues pruned to eliminate duplicates Z: 12 14.743 1.846 0.442 0.833 0.909 0.909 CB 1.379 12 residues pruned to eliminate duplicates Z: 11 5.723 1.814 0.177 0.494 0.900 0.700 CB 0.947 11 residues pruned to eliminate duplicates Z: 16 7.767 1.827 0.308 0.322 0.800 0.533 CB 1.277 7 residues pruned to eliminate duplicates Z: 7 5.978 1.949 0.466 0.361 0.667 0.500 CB 1.488 7 residues pruned to eliminate duplicates Z: 13 15.493 1.907 0.437 0.847 1.000 0.667 CB 1.211 13 residues pruned to eliminate duplicates Z: 16 11.939 2.033 0.357 0.405 0.867 0.667 CA 1.425 17 residues pruned to eliminate duplicates Z: 14 15.298 1.893 0.497 0.809 0.923 0.538 CB 1.240 14 residues pruned to eliminate duplicates Z: 21 33.456 2.063 0.704 0.899 1.000 0.850 CB 1.521 21 residues pruned to eliminate duplicates Z: 14 10.383 2.035 0.408 0.370 0.923 0.769 CB 1.252 14 residues pruned to eliminate duplicates Z: 12 18.741 1.969 0.661 0.853 1.000 0.818 CB 1.277 12 residues pruned to eliminate duplicates Z: 24 16.866 2.071 0.403 0.510 0.870 0.696 CB 1.378 24 residues pruned to eliminate duplicates Z: 44 24.162 1.965 0.429 0.546 0.930 0.674 CA 1.349 44 residues pruned to eliminate duplicates Z: 16 27.098 2.071 0.515 0.933 1.000 0.867 CB 1.555 16 residues pruned to eliminate duplicates Z: 25 14.835 1.880 0.419 0.452 0.917 0.583 CA 1.301 8 residues pruned to eliminate duplicates Z: 29 14.751 1.971 0.282 0.444 0.929 0.607 CB 1.258 29 residues pruned to eliminate duplicates Z: 17 27.631 2.168 0.611 0.867 1.000 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 11 17.123 2.029 0.673 0.819 1.000 0.600 CB 1.210 11 residues pruned to eliminate duplicates Z: 22 40.877 2.111 1.088 0.912 1.000 0.619 CB 1.433 22 residues pruned to eliminate duplicates Z: 12 13.104 1.985 0.380 0.491 1.000 0.636 CB 1.455 Z: 21 10.764 1.820 0.352 0.464 0.800 0.650 CB 1.269 21 residues pruned to eliminate duplicates Z: 24 18.636 1.992 0.504 0.500 0.913 0.696 CB 1.421 25 residues pruned to eliminate duplicates Z: 38 19.199 1.966 0.473 0.449 0.865 0.622 CB 1.329 38 residues pruned to eliminate duplicates Z: 10 16.159 1.886 0.807 0.645 0.889 0.889 CB 1.553 10 residues pruned to eliminate duplicates Z: 36 23.522 2.046 0.508 0.498 0.971 0.514 CB 1.329 36 residues pruned to eliminate duplicates Z: 28 17.165 1.885 0.490 0.450 0.926 0.556 CA 1.336 25 residues pruned to eliminate duplicates Z: 33 17.754 1.959 0.598 0.400 0.812 0.594 CB 1.370 33 residues pruned to eliminate duplicates Z: 22 10.115 1.957 0.323 0.311 0.857 0.381 CB 1.226 18 residues pruned to eliminate duplicates Z: 18 13.020 1.912 0.312 0.489 0.882 0.529 CB 1.442 18 residues pruned to eliminate duplicates Z: 13 6.534 1.814 0.352 0.360 0.750 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 22 27.729 1.981 0.550 0.818 0.952 0.810 CA 1.569 22 residues pruned to eliminate duplicates Z: 32 20.868 1.952 0.776 0.458 0.806 0.613 CB 1.400 32 residues pruned to eliminate duplicates Z: 32 16.532 1.881 0.408 0.455 0.839 0.613 CA 1.401 Z: 22 40.284 2.119 0.946 0.915 1.000 0.952 CA 1.506 22 residues pruned to eliminate duplicates Z: 21 31.494 2.188 0.661 0.886 0.900 0.800 CB 1.553 21 residues pruned to eliminate duplicates Z: 10 7.142 1.789 0.303 0.257 1.000 0.444 N 1.349 Z: 10 5.584 1.790 0.458 0.330 0.889 0.222 CB 0.967 Z: 46 29.630 2.048 0.647 0.495 0.911 0.578 CA 1.445 46 residues pruned to eliminate duplicates Z: 16 8.926 1.917 0.036 0.344 1.000 0.600 CA 1.375 16 residues pruned to eliminate duplicates Z: 14 13.555 1.876 0.946 0.463 0.769 0.692 CB 1.390 14 residues pruned to eliminate duplicates Z: 28 14.022 2.019 0.450 0.429 0.778 0.519 CA 1.275 28 residues pruned to eliminate duplicates Z: 6 3.923 1.503 0.541 0.594 0.800 0.800 CB 0.866 Z: 8 3.803 1.858 0.291 0.162 0.857 0.571 CA 1.056 8 residues pruned to eliminate duplicates Z: 21 9.913 2.044 0.271 0.318 0.850 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 17 10.102 1.955 0.363 0.392 0.750 0.438 CB 1.417 17 residues pruned to eliminate duplicates Z: 16 19.222 2.111 0.425 0.858 0.933 0.600 CB 1.302 16 residues pruned to eliminate duplicates Z: 11 7.427 1.840 0.425 0.330 0.900 0.500 CB 1.199 11 residues pruned to eliminate duplicates Z: 19 29.124 1.991 0.677 0.895 1.000 0.500 CB 1.474 19 residues pruned to eliminate duplicates Z: 50 30.898 2.070 0.391 0.631 0.939 0.714 CA 1.444 50 residues pruned to eliminate duplicates 7 1.853 1.439 0.509 0.250 0.500 0.333 N 0.929 ? Z: 11 11.606 1.854 0.704 0.650 0.800 0.800 CB 1.262 11 residues pruned to eliminate duplicates Z: 6 5.321 1.616 0.683 0.551 0.600 0.400 CA 1.387 6 residues pruned to eliminate duplicates Z: 30 14.713 1.912 0.507 0.360 0.793 0.552 CB 1.390 25 residues pruned to eliminate duplicates Z: 55 29.447 1.998 0.690 0.476 0.852 0.630 CB 1.427 59 residues pruned to eliminate duplicates Z: 10 5.346 1.672 0.331 0.211 0.889 0.222 N 1.267 10 residues pruned to eliminate duplicates Z: 20 20.095 2.020 0.353 0.863 0.895 0.737 CB 1.384 20 residues pruned to eliminate duplicates Z: 14 13.515 1.930 0.788 0.380 0.923 0.692 CB 1.336 14 residues pruned to eliminate duplicates Z: 6 2.330 1.380 0.132 0.290 1.000 1.000 N 0.845 Z: 29 17.074 2.038 0.514 0.343 0.893 0.536 CB 1.390 29 residues pruned to eliminate duplicates Z: 16 28.602 2.111 0.806 0.868 0.933 0.667 CB 1.517 16 residues pruned to eliminate duplicates Z: 14 22.306 2.045 0.471 0.917 1.000 0.692 CB 1.452 14 residues pruned to eliminate duplicates Z: 22 36.702 2.188 0.769 0.895 0.952 0.762 CB 1.558 22 residues pruned to eliminate duplicates Z: 9 6.209 1.490 0.477 0.433 0.875 0.625 CB 1.222 9 residues pruned to eliminate duplicates Z: 10 11.329 1.908 0.347 0.580 1.000 0.667 CB 1.360 12 residues pruned to eliminate duplicates Z: 50 36.465 2.056 0.499 0.676 0.939 0.469 CA 1.531 50 residues pruned to eliminate duplicates Z: 21 27.705 1.885 0.720 0.916 1.000 0.550 CB 1.349 21 residues pruned to eliminate duplicates Z: 17 10.262 1.981 0.381 0.432 0.688 0.500 CA 1.464 17 residues pruned to eliminate duplicates Z: 32 24.156 2.172 0.589 0.455 0.903 0.548 CB 1.458 32 residues pruned to eliminate duplicates Z: 17 16.983 2.055 0.594 0.454 0.938 0.562 CB 1.450 17 residues pruned to eliminate duplicates Z: 16 8.934 2.034 0.106 0.413 0.733 0.400 CB 1.532 16 residues pruned to eliminate duplicates Z: 23 12.526 1.763 0.532 0.431 0.818 0.545 CB 1.298 24 residues pruned to eliminate duplicates Z: 9 11.155 1.955 0.532 0.697 1.000 0.625 CB 1.100 9 residues pruned to eliminate duplicates Z: 14 7.576 1.815 0.340 0.300 0.846 0.538 CB 1.276 Z: 10 11.651 1.691 0.839 0.771 0.889 0.667 CA 1.105 10 residues pruned to eliminate duplicates Z: 19 19.243 2.018 0.286 0.932 0.944 0.889 CB 1.292 19 residues pruned to eliminate duplicates Z: 6 8.748 2.094 0.460 0.610 1.000 0.800 CA 1.153 6 residues pruned to eliminate duplicates Z: 19 14.903 1.873 0.584 0.475 0.889 0.611 CB 1.367 20 residues pruned to eliminate duplicates Z: 72 52.449 2.159 0.772 0.584 0.972 0.549 CB 1.544 72 residues pruned to eliminate duplicates Z: 68 44.304 2.132 0.669 0.579 0.940 0.582 CB 1.499 68 residues pruned to eliminate duplicates Z: 30 17.390 1.912 0.398 0.480 0.862 0.621 CA 1.430 30 residues pruned to eliminate duplicates Z: 13 18.486 2.028 0.735 0.568 0.917 0.750 CB 1.550 13 residues pruned to eliminate duplicates Z: 10 16.216 1.805 0.719 0.911 1.000 1.000 CB 1.235 10 residues pruned to eliminate duplicates Z: 48 30.892 2.001 0.731 0.482 0.894 0.617 CA 1.483 48 residues pruned to eliminate duplicates Z: 8 12.151 1.821 0.576 0.776 1.000 0.714 CA 1.254 8 residues pruned to eliminate duplicates Z: 28 14.419 1.919 0.438 0.450 0.778 0.556 CB 1.362 28 residues pruned to eliminate duplicates Z: 14 28.576 2.194 0.965 0.902 0.923 0.692 CB 1.421 14 residues pruned to eliminate duplicates Z: 6 3.870 1.677 0.608 0.394 0.800 0.400 CA 0.897 6 residues pruned to eliminate duplicates Z: 17 15.998 2.236 0.771 0.335 0.750 0.438 CB 1.613 17 residues pruned to eliminate duplicates Z: 9 2.506 1.614 0.383 0.390 0.750 0.500 CB 0.594 9 residues pruned to eliminate duplicates Z: 10 9.164 1.713 0.187 0.848 0.778 0.667 CA 1.433 10 residues pruned to eliminate duplicates Z: 21 38.150 2.144 0.917 0.866 0.950 0.450 CB 1.600 21 residues pruned to eliminate duplicates Z: 8 6.830 1.949 0.316 0.306 1.000 0.429 CA 1.248 8 residues pruned to eliminate duplicates Z: 9 12.513 1.873 0.341 0.874 1.000 0.875 CA 1.283 9 residues pruned to eliminate duplicates Z: 27 14.874 1.829 0.556 0.379 0.885 0.462 CA 1.318 27 residues pruned to eliminate duplicates Z: 17 13.136 2.030 0.378 0.437 0.875 0.375 CB 1.432 17 residues pruned to eliminate duplicates Z: 11 16.833 1.966 0.643 0.909 0.800 0.500 CB 1.462 11 residues pruned to eliminate duplicates Z: 8 4.539 1.652 -0.019 0.530 0.857 0.429 CB 1.199 8 residues pruned to eliminate duplicates Z: 18 27.022 2.106 0.533 0.864 1.000 0.765 CB 1.488 19 residues pruned to eliminate duplicates Z: 14 12.436 1.978 0.700 0.411 0.846 0.538 CB 1.331 14 residues pruned to eliminate duplicates Z: 12 7.933 2.001 0.267 0.451 0.727 0.545 CB 1.364 12 residues pruned to eliminate duplicates Z: 8 17.215 1.976 0.547 0.710 1.000 0.714 CB 1.759 10 residues pruned to eliminate duplicates Z: 20 46.773 2.280 0.965 0.908 1.000 0.474 CB 1.700 20 residues pruned to eliminate duplicates Z: 7 3.008 1.612 0.037 0.548 0.833 0.500 CB 0.842 7 residues pruned to eliminate duplicates Z: 22 33.276 2.107 0.961 0.911 0.857 0.619 CB 1.453 22 residues pruned to eliminate duplicates Z: 8 9.125 1.966 0.083 0.521 1.000 0.571 CB 1.587 8 residues pruned to eliminate duplicates Z: 6 6.014 1.811 0.567 0.671 0.800 0.800 CA 1.011 6 residues pruned to eliminate duplicates Z: 16 23.837 1.845 0.667 0.938 1.000 0.867 CB 1.392 16 residues pruned to eliminate duplicates Z: 21 30.455 2.019 0.608 0.911 1.000 0.500 CB 1.486 21 residues pruned to eliminate duplicates Z: 15 11.935 1.866 0.766 0.365 0.786 0.429 CB 1.423 15 residues pruned to eliminate duplicates Z: 19 10.504 1.748 0.726 0.333 0.833 0.556 CB 1.182 10 residues pruned to eliminate duplicates Z: 17 18.648 2.164 0.208 0.869 0.875 0.625 CB 1.489 17 residues pruned to eliminate duplicates Z: 15 10.841 1.939 0.335 0.429 0.786 0.500 CA 1.534 15 residues pruned to eliminate duplicates Z: 18 20.612 2.076 0.401 0.739 1.000 0.765 CB 1.386 18 residues pruned to eliminate duplicates Z: 16 12.875 1.991 0.595 0.460 0.867 0.467 CA 1.258 16 residues pruned to eliminate duplicates Z: 10 12.695 1.895 0.810 0.674 0.889 0.778 CA 1.182 6 residues pruned to eliminate duplicates Z: 17 9.170 1.797 0.632 0.488 0.812 0.562 CB 0.973 9 residues pruned to eliminate duplicates Z: 22 30.359 1.953 0.639 0.879 1.000 0.762 CB 1.501 21 residues pruned to eliminate duplicates Z: 9 8.092 1.841 0.463 0.615 0.875 0.750 CB 1.088 8 residues pruned to eliminate duplicates Z: 24 16.204 1.918 0.608 0.379 0.957 0.522 CB 1.303 26 residues pruned to eliminate duplicates Z: 13 9.286 1.887 0.483 0.442 0.833 0.583 CB 1.220 13 residues pruned to eliminate duplicates Z: 13 8.886 1.974 0.639 0.336 0.667 0.583 CB 1.424 13 residues pruned to eliminate duplicates Z: 13 14.479 1.972 0.285 0.853 1.000 0.667 CB 1.219 13 residues pruned to eliminate duplicates Z: 22 25.878 1.999 0.550 0.916 0.905 0.810 CA 1.423 22 residues pruned to eliminate duplicates Z: 29 15.348 1.962 0.298 0.422 0.929 0.643 CB 1.331 29 residues pruned to eliminate duplicates Z: 12 21.395 1.958 0.827 0.888 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 10 8.933 1.900 0.248 0.442 0.889 0.556 CB 1.500 10 residues pruned to eliminate duplicates Z: 6 3.326 1.532 0.157 0.445 0.800 0.200 N 1.110 6 residues pruned to eliminate duplicates Z: 35 27.524 2.111 0.428 0.605 0.941 0.824 CA 1.507 35 residues pruned to eliminate duplicates Z: 10 11.892 1.906 0.654 0.760 0.889 0.889 CB 1.123 10 residues pruned to eliminate duplicates Z: 35 18.010 2.009 0.489 0.432 0.824 0.647 CB 1.346 35 residues pruned to eliminate duplicates Z: 38 27.200 2.071 0.544 0.505 0.919 0.486 CB 1.514 38 residues pruned to eliminate duplicates Z: 10 8.023 1.634 0.350 0.645 0.889 0.778 CB 1.191 10 residues pruned to eliminate duplicates Z: 9 13.026 1.927 0.373 0.855 1.000 0.750 CA 1.285 9 residues pruned to eliminate duplicates Z: 14 9.238 1.966 0.269 0.418 0.846 0.615 CB 1.322 14 residues pruned to eliminate duplicates Z: 26 15.929 2.047 0.450 0.346 0.800 0.480 CB 1.585 26 residues pruned to eliminate duplicates Z: 18 19.531 2.038 0.252 0.883 0.941 0.765 CA 1.425 18 residues pruned to eliminate duplicates Z: 7 5.201 1.735 1.039 0.538 0.667 0.500 CA 0.867 7 residues pruned to eliminate duplicates Z: 10 15.030 1.999 0.627 0.601 0.889 0.778 CA 1.574 10 residues pruned to eliminate duplicates Z: 10 13.566 2.167 0.327 0.883 0.889 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 21 8.503 1.916 0.127 0.310 0.850 0.300 CB 1.278 14 residues pruned to eliminate duplicates Z: 18 13.699 1.935 0.396 0.377 0.882 0.412 CA 1.591 18 residues pruned to eliminate duplicates Z: 18 11.149 1.783 0.492 0.383 0.765 0.412 C 1.506 18 residues pruned to eliminate duplicates Z: 6 3.669 1.546 0.422 0.403 0.800 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 6 3.317 1.934 -0.113 0.292 0.800 0.200 CB 1.365 Z: 7 10.522 2.089 0.051 0.773 1.000 1.000 CB 1.537 7 residues pruned to eliminate duplicates Z: 7 8.412 1.758 0.298 0.852 0.833 0.667 CA 1.335 7 residues pruned to eliminate duplicates Z: 12 6.626 1.637 0.490 0.443 0.818 0.364 CB 1.062 12 residues pruned to eliminate duplicates Z: 14 8.841 1.856 0.258 0.487 0.846 0.538 CB 1.257 12 residues pruned to eliminate duplicates Z: 29 19.116 2.066 0.819 0.325 0.857 0.536 CB 1.359 29 residues pruned to eliminate duplicates Z: 16 11.201 1.846 0.381 0.546 0.867 0.600 CA 1.252 16 residues pruned to eliminate duplicates Z: 11 6.128 1.654 0.461 0.465 0.800 0.400 CA 1.040 11 residues pruned to eliminate duplicates Z: 77 39.078 2.081 0.523 0.572 0.895 0.566 CA 1.475 77 residues pruned to eliminate duplicates Z: 8 5.359 1.700 0.265 0.646 0.857 0.571 N 0.959 Z: 30 12.449 2.002 0.365 0.301 0.793 0.483 CA 1.332 30 residues pruned to eliminate duplicates Z: 32 20.319 2.004 0.546 0.443 0.839 0.548 CB 1.489 32 residues pruned to eliminate duplicates Z: 7 4.034 1.758 0.003 0.472 0.833 0.333 CB 1.154 Z: 46 32.628 2.049 0.587 0.596 0.889 0.689 CA 1.536 46 residues pruned to eliminate duplicates Z: 21 31.422 1.993 0.872 0.917 0.950 0.550 CB 1.399 23 residues pruned to eliminate duplicates Z: 11 12.171 1.773 0.422 0.813 0.900 0.800 CA 1.292 11 residues pruned to eliminate duplicates Z: 22 10.596 1.805 0.488 0.375 0.762 0.429 CB 1.291 22 residues pruned to eliminate duplicates Z: 8 9.893 1.747 0.442 0.773 1.000 0.714 CA 1.166 8 residues pruned to eliminate duplicates Z: 20 24.823 2.011 0.590 0.861 0.895 0.316 CA 1.462 20 residues pruned to eliminate duplicates Z: 6 11.546 1.724 0.839 0.576 1.000 0.600 O 1.513 6 residues pruned to eliminate duplicates Z: 13 19.595 2.132 0.617 0.594 0.917 0.750 CA 1.636 13 residues pruned to eliminate duplicates Z: 47 19.242 1.913 0.432 0.345 0.826 0.457 CB 1.483 48 residues pruned to eliminate duplicates Z: 21 30.607 1.930 0.844 0.842 0.950 0.450 CB 1.508 19 residues pruned to eliminate duplicates Z: 18 9.621 1.885 0.170 0.418 0.941 0.706 CA 1.224 18 residues pruned to eliminate duplicates Z: 12 5.648 1.922 0.293 0.402 0.636 0.636 CB 1.193 12 residues pruned to eliminate duplicates Z: 12 19.791 2.004 1.060 0.551 0.909 0.818 CA 1.513 15 residues pruned to eliminate duplicates Z: 29 15.501 1.959 0.301 0.440 0.964 0.643 CB 1.268 29 residues pruned to eliminate duplicates Z: 18 19.332 2.064 0.225 0.851 0.941 0.824 CB 1.459 18 residues pruned to eliminate duplicates Z: 15 9.795 1.900 0.300 0.467 0.786 0.643 CA 1.396 15 residues pruned to eliminate duplicates Z: 13 11.633 1.942 0.290 0.790 0.917 0.750 CA 1.134 13 residues pruned to eliminate duplicates Z: 22 41.078 2.208 0.763 0.911 1.000 0.952 CB 1.632 22 residues pruned to eliminate duplicates Z: 9 5.189 1.916 0.387 0.290 0.875 0.500 CB 0.999 9 residues pruned to eliminate duplicates Z: 7 3.569 1.275 0.509 0.771 0.833 0.667 CA 0.715 7 residues pruned to eliminate duplicates Z: 19 14.292 2.057 0.703 0.304 0.833 0.389 CB 1.436 19 residues pruned to eliminate duplicates Z: 8 6.916 1.736 0.174 0.538 1.000 0.571 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 5.212 1.927 0.254 0.365 1.000 0.600 CA 1.116 Z: 18 32.759 2.140 0.652 0.893 1.000 0.412 CA 1.614 18 residues pruned to eliminate duplicates Z: 12 5.007 1.647 0.328 0.361 0.727 0.364 CB 1.103 12 residues pruned to eliminate duplicates Z: 9 4.266 1.742 -0.083 0.284 0.875 0.625 CA 1.376 9 residues pruned to eliminate duplicates Z: 18 14.087 1.959 0.595 0.478 0.882 0.706 CB 1.267 18 residues pruned to eliminate duplicates Z: 71 45.212 2.142 0.624 0.577 0.943 0.586 CB 1.530 71 residues pruned to eliminate duplicates Z: 30 17.944 2.092 0.504 0.392 0.828 0.621 CB 1.435 30 residues pruned to eliminate duplicates Z: 9 14.727 1.881 0.585 0.834 1.000 0.625 CA 1.309 9 residues pruned to eliminate duplicates Z: 31 41.667 2.212 0.846 0.743 1.000 0.700 CA 1.499 31 residues pruned to eliminate duplicates Z: 18 8.849 1.811 0.154 0.328 0.941 0.471 CA 1.318 18 residues pruned to eliminate duplicates Z: 6 3.729 1.485 0.383 0.738 0.600 0.600 C 1.092 6 residues pruned to eliminate duplicates Z: 22 41.558 2.189 0.905 0.918 1.000 0.619 CB 1.533 22 residues pruned to eliminate duplicates Z: 8 13.287 2.001 0.829 0.376 1.000 0.857 CA 1.567 10 residues pruned to eliminate duplicates Z: 13 14.622 1.993 0.493 0.534 0.917 0.500 CB 1.496 16 residues pruned to eliminate duplicates Z: 19 12.106 2.005 0.187 0.448 0.889 0.556 CA 1.423 19 residues pruned to eliminate duplicates Z: 13 20.255 2.239 0.594 0.854 0.833 0.833 CB 1.453 13 residues pruned to eliminate duplicates Z: 11 14.845 2.106 0.346 0.857 1.000 0.700 CB 1.220 11 residues pruned to eliminate duplicates Z: 12 8.218 1.982 0.450 0.422 0.727 0.636 CB 1.285 12 residues pruned to eliminate duplicates Z: 32 23.532 2.182 0.449 0.496 0.871 0.613 CB 1.541 32 residues pruned to eliminate duplicates Z: 15 5.858 1.699 0.303 0.402 0.714 0.571 CA 1.098 15 residues pruned to eliminate duplicates Z: 7 5.257 1.858 0.089 0.329 0.833 0.500 CB 1.535 7 residues pruned to eliminate duplicates Z: 44 33.565 2.072 0.564 0.639 0.930 0.535 CB 1.490 44 residues pruned to eliminate duplicates Z: 52 39.235 2.104 0.529 0.654 0.980 0.706 CA 1.510 52 residues pruned to eliminate duplicates Z: 35 20.806 2.015 0.410 0.486 0.912 0.588 CA 1.397 35 residues pruned to eliminate duplicates Z: 29 14.199 1.995 0.445 0.326 0.821 0.464 CB 1.372 29 residues pruned to eliminate duplicates Z: 22 13.834 1.788 0.497 0.392 0.952 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 7 2.225 1.399 -0.031 0.707 1.000 0.500 CB 0.555 Z: 23 12.375 1.836 0.355 0.423 0.818 0.500 CB 1.404 23 residues pruned to eliminate duplicates Z: 14 3.857 1.362 0.330 0.392 0.692 0.308 CA 0.957 Z: 12 6.928 1.789 0.225 0.426 0.818 0.455 CA 1.258 12 residues pruned to eliminate duplicates Z: 9 12.805 1.719 0.712 0.631 1.000 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 19 10.771 1.914 0.172 0.394 0.944 0.556 CB 1.340 19 residues pruned to eliminate duplicates Z: 19 24.432 1.985 0.699 0.863 0.833 0.389 CA 1.503 19 residues pruned to eliminate duplicates Z: 6 7.135 1.910 0.228 0.692 0.800 0.800 O 1.426 6 residues pruned to eliminate duplicates Z: 20 32.353 2.067 0.702 0.923 1.000 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 64 47.097 2.159 0.808 0.591 0.921 0.508 CA 1.513 64 residues pruned to eliminate duplicates Z: 23 19.452 1.983 0.380 0.590 1.000 0.727 CB 1.390 20 residues pruned to eliminate duplicates Z: 20 13.129 1.959 0.438 0.471 0.842 0.526 CB 1.307 20 residues pruned to eliminate duplicates Z: 7 8.869 1.566 0.709 0.845 0.833 0.833 CA 1.207 7 residues pruned to eliminate duplicates Z: 31 28.887 2.038 0.523 0.651 0.933 0.600 CB 1.581 39 residues pruned to eliminate duplicates Z: 22 30.836 1.938 0.673 0.833 1.000 0.619 CA 1.558 22 residues pruned to eliminate duplicates Z: 7 5.998 1.886 -0.125 0.657 1.000 0.500 CB 1.283 7 residues pruned to eliminate duplicates Z: 9 8.822 2.069 0.172 0.456 0.875 0.250 CB 1.538 9 residues pruned to eliminate duplicates Z: 39 16.987 1.937 0.492 0.380 0.842 0.526 CB 1.287 39 residues pruned to eliminate duplicates Z: 33 31.437 2.094 0.496 0.685 1.000 0.688 CA 1.497 33 residues pruned to eliminate duplicates Z: 8 11.745 1.819 0.259 0.913 1.000 1.000 CA 1.372 8 residues pruned to eliminate duplicates Z: 10 8.901 1.713 0.013 0.866 1.000 0.889 CB 1.252 10 residues pruned to eliminate duplicates Z: 9 14.842 2.049 0.685 0.667 1.000 0.750 CB 1.302 9 residues pruned to eliminate duplicates Z: 27 15.282 1.936 0.335 0.365 0.923 0.538 CB 1.453 27 residues pruned to eliminate duplicates Z: 12 16.788 2.017 0.494 0.887 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 29 16.175 1.806 0.350 0.506 0.893 0.714 CB 1.395 30 residues pruned to eliminate duplicates Z: 33 35.070 2.166 0.662 0.679 1.000 0.812 CA 1.460 33 residues pruned to eliminate duplicates Z: 21 20.775 2.001 0.375 0.815 0.850 0.750 CB 1.510 21 residues pruned to eliminate duplicates Z: 11 17.925 2.131 0.714 0.579 0.900 0.700 CB 1.599 13 residues pruned to eliminate duplicates Z: 8 6.596 1.602 0.400 0.473 0.857 0.571 O 1.332 Z: 16 10.021 1.818 0.559 0.340 0.933 0.600 CB 1.164 12 residues pruned to eliminate duplicates Z: 14 9.585 1.784 0.715 0.399 0.846 0.538 CA 1.142 14 residues pruned to eliminate duplicates Z: 12 17.420 1.965 0.855 0.511 1.000 0.818 CA 1.425 12 residues pruned to eliminate duplicates Z: 9 8.628 2.037 0.444 0.382 0.875 0.625 CB 1.344 9 residues pruned to eliminate duplicates Z: 36 24.407 2.026 0.486 0.478 1.000 0.571 CA 1.401 37 residues pruned to eliminate duplicates Z: 20 11.495 1.774 0.246 0.414 0.895 0.421 CA 1.458 20 residues pruned to eliminate duplicates Z: 17 9.947 1.792 0.405 0.448 0.812 0.438 CB 1.282 17 residues pruned to eliminate duplicates Z: 25 15.659 1.959 0.666 0.354 0.875 0.500 CA 1.311 25 residues pruned to eliminate duplicates Z: 12 7.437 1.724 0.357 0.444 0.909 0.273 CA 1.117 12 residues pruned to eliminate duplicates Z: 25 15.093 1.924 0.522 0.426 0.833 0.583 CB 1.364 25 residues pruned to eliminate duplicates Z: 30 22.057 2.088 0.699 0.427 0.862 0.552 CB 1.444 30 residues pruned to eliminate duplicates Z: 12 7.494 1.802 -0.056 0.701 1.000 0.636 CA 1.105 12 residues pruned to eliminate duplicates Z: 16 11.577 1.736 0.552 0.484 0.933 0.467 CA 1.208 14 residues pruned to eliminate duplicates Z: 22 31.589 1.938 0.792 0.925 0.952 0.714 CB 1.463 22 residues pruned to eliminate duplicates Z: 11 13.010 1.788 0.500 0.812 1.000 0.500 CB 1.169 11 residues pruned to eliminate duplicates Z: 8 3.266 1.437 0.356 0.529 0.857 0.429 CB 0.719 Z: 7 4.650 1.695 0.129 0.603 0.833 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 27 13.163 1.847 0.451 0.405 0.769 0.500 CA 1.384 27 residues pruned to eliminate duplicates Z: 15 18.813 2.043 0.650 0.851 0.857 0.429 CB 1.288 15 residues pruned to eliminate duplicates Z: 7 3.036 1.482 0.409 0.497 1.000 1.000 CA 0.595 7 residues pruned to eliminate duplicates Z: 8 16.536 1.930 0.828 0.793 0.857 0.571 CA 1.598 8 residues pruned to eliminate duplicates Z: 11 3.476 1.508 0.276 0.190 0.800 0.300 CB 1.035 Z: 28 15.151 1.893 0.559 0.374 0.889 0.481 CB 1.271 28 residues pruned to eliminate duplicates Z: 9 10.746 1.724 0.472 0.845 1.000 0.875 CA 1.113 9 residues pruned to eliminate duplicates Z: 17 13.975 1.687 0.842 0.382 0.938 0.500 CB 1.360 17 residues pruned to eliminate duplicates Z: 22 19.270 1.997 0.548 0.583 0.905 0.381 CB 1.388 22 residues pruned to eliminate duplicates Z: 9 7.093 1.942 0.682 0.415 0.625 0.500 CA 1.342 9 residues pruned to eliminate duplicates Z: 31 20.248 2.119 0.529 0.313 0.933 0.567 CB 1.503 31 residues pruned to eliminate duplicates Z: 35 32.848 1.956 0.768 0.656 0.971 0.647 CB 1.451 35 residues pruned to eliminate duplicates Z: 6 3.289 1.646 -0.021 0.563 0.800 0.800 C 1.074 Z: 28 19.020 2.105 0.613 0.321 0.852 0.444 CB 1.541 28 residues pruned to eliminate duplicates Z: 18 7.351 1.732 0.345 0.371 0.765 0.353 CB 1.149 18 residues pruned to eliminate duplicates Z: 14 29.069 2.304 0.638 0.898 1.000 0.692 CB 1.528 14 residues pruned to eliminate duplicates Z: 15 11.020 1.732 0.594 0.519 0.786 0.714 CA 1.332 11 residues pruned to eliminate duplicates Z: 9 9.293 1.795 0.469 0.865 1.000 0.750 CB 0.913 9 residues pruned to eliminate duplicates Z: 12 16.836 1.813 0.639 0.785 1.000 0.364 CB 1.329 12 residues pruned to eliminate duplicates Z: 9 4.181 1.579 0.226 0.320 0.750 0.375 CB 1.242 Z: 18 29.923 2.030 0.647 0.819 1.000 0.588 CA 1.646 18 residues pruned to eliminate duplicates Z: 7 6.212 1.625 0.502 0.522 0.833 0.667 N 1.220 Z: 10 5.049 1.558 0.361 0.321 0.889 0.667 CB 1.087 Z: 6 5.182 1.651 0.055 0.577 1.000 0.400 CA 1.234 Z: 13 11.210 1.837 0.481 0.414 0.833 0.417 CB 1.561 13 residues pruned to eliminate duplicates Z: 29 16.498 1.973 0.315 0.396 0.893 0.464 CB 1.503 29 residues pruned to eliminate duplicates Z: 13 3.874 1.627 0.185 0.320 0.750 0.417 CB 0.943 13 residues pruned to eliminate duplicates Z: 9 8.584 2.024 -0.124 0.794 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 16 19.049 2.092 0.621 0.874 0.867 0.467 CB 1.219 16 residues pruned to eliminate duplicates Z: 8 8.533 1.730 0.362 0.875 0.714 0.714 CB 1.394 8 residues pruned to eliminate duplicates Z: 11 8.980 1.970 0.549 0.394 0.900 0.500 CA 1.157 11 residues pruned to eliminate duplicates Z: 6 2.345 1.441 -0.034 0.294 1.000 0.600 CB 0.949 Z: 19 12.038 1.868 0.473 0.450 0.889 0.556 CB 1.222 19 residues pruned to eliminate duplicates Z: 15 7.487 1.935 0.269 0.274 0.857 0.571 CA 1.229 16 residues pruned to eliminate duplicates Z: 10 3.595 1.323 0.319 0.402 0.667 0.556 O 1.142 10 residues pruned to eliminate duplicates Z: 23 10.736 1.745 0.348 0.355 0.818 0.455 CB 1.390 22 residues pruned to eliminate duplicates Z: 20 8.625 1.962 0.327 0.281 0.737 0.474 CA 1.321 20 residues pruned to eliminate duplicates Z: 23 10.632 1.947 0.540 0.315 0.818 0.545 CB 1.134 23 residues pruned to eliminate duplicates Z: 9 13.978 1.851 0.542 0.896 1.000 0.625 CA 1.240 14 residues pruned to eliminate duplicates Z: 32 25.220 1.905 0.595 0.588 0.968 0.742 CB 1.415 32 residues pruned to eliminate duplicates Z: 21 28.770 1.946 0.781 0.906 0.950 0.550 CB 1.390 21 residues pruned to eliminate duplicates Z: 50 33.203 2.096 0.700 0.506 0.898 0.673 CB 1.473 49 residues pruned to eliminate duplicates Z: 10 3.230 1.727 0.190 0.275 0.667 0.444 CB 1.014 Z: 6 4.209 1.478 0.602 0.298 1.000 0.400 CB 0.997 Z: 35 15.846 1.944 0.284 0.451 0.794 0.529 CB 1.441 35 residues pruned to eliminate duplicates Z: 23 19.730 2.101 0.525 0.520 0.909 0.455 CB 1.417 23 residues pruned to eliminate duplicates Z: 15 6.695 1.819 0.318 0.385 0.786 0.571 CA 1.074 15 residues pruned to eliminate duplicates Z: 6 2.750 1.797 -0.174 0.349 0.800 0.400 CB 1.220 6 residues pruned to eliminate duplicates Z: 12 6.446 1.796 0.442 0.449 0.636 0.364 CB 1.243 12 residues pruned to eliminate duplicates Z: 29 14.941 1.874 0.406 0.470 0.821 0.607 CA 1.346 29 residues pruned to eliminate duplicates Z: 22 8.357 1.797 0.265 0.292 0.857 0.476 CB 1.182 22 residues pruned to eliminate duplicates Z: 8 7.725 1.846 0.184 0.716 0.857 0.429 CB 1.281 8 residues pruned to eliminate duplicates Z: 22 10.944 1.729 0.478 0.356 0.905 0.429 CA 1.206 22 residues pruned to eliminate duplicates Z: 27 14.369 2.042 0.408 0.333 0.846 0.462 CB 1.390 27 residues pruned to eliminate duplicates Z: 29 12.265 1.890 0.262 0.399 0.929 0.643 CB 1.164 29 residues pruned to eliminate duplicates 6 1.505 1.520 0.818 0.300 0.400 0.400 CB 0.761 ? Z: 21 29.841 1.999 0.767 0.914 0.950 0.650 CB 1.406 21 residues pruned to eliminate duplicates Z: 20 5.682 1.683 0.456 0.283 0.684 0.316 CB 0.993 20 residues pruned to eliminate duplicates Z: 31 16.627 2.027 0.475 0.353 0.833 0.567 CB 1.429 31 residues pruned to eliminate duplicates Z: 12 9.421 1.902 0.598 0.335 0.909 0.455 CA 1.232 12 residues pruned to eliminate duplicates Z: 8 9.408 1.910 0.669 0.556 0.857 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 15 10.852 1.723 0.578 0.447 0.857 0.643 CA 1.314 16 residues pruned to eliminate duplicates Z: 19 28.703 2.080 0.626 0.851 1.000 0.722 CA 1.481 19 residues pruned to eliminate duplicates Z: 9 5.757 1.750 0.313 0.331 1.000 0.250 CA 1.066 9 residues pruned to eliminate duplicates Z: 10 16.658 1.817 0.804 0.888 0.889 0.222 CB 1.373 10 residues pruned to eliminate duplicates Z: 48 34.487 2.059 0.708 0.517 0.936 0.660 CB 1.502 48 residues pruned to eliminate duplicates Z: 8 4.946 1.674 0.324 0.308 0.857 0.571 CA 1.217 8 residues pruned to eliminate duplicates Z: 23 12.268 1.852 0.518 0.421 0.818 0.591 CB 1.234 23 residues pruned to eliminate duplicates Z: 23 20.797 2.096 0.433 0.553 0.955 0.682 CB 1.469 23 residues pruned to eliminate duplicates Z: 23 17.031 1.957 0.311 0.566 1.000 0.682 CA 1.328 23 residues pruned to eliminate duplicates Z: 7 5.284 1.793 0.486 0.571 0.833 0.833 CB 0.907 Z: 6 2.518 1.696 0.159 0.337 0.600 0.600 CB 1.141 Z: 25 17.258 1.814 0.510 0.515 0.958 0.542 CB 1.321 25 residues pruned to eliminate duplicates Z: 27 10.121 1.842 0.428 0.352 0.654 0.500 CB 1.354 27 residues pruned to eliminate duplicates Z: 8 4.197 1.783 0.436 0.327 0.714 0.571 CA 1.049 8 residues pruned to eliminate duplicates Z: 12 8.039 1.858 0.243 0.507 0.727 0.545 CB 1.433 12 residues pruned to eliminate duplicates Z: 15 17.143 2.000 0.771 0.607 0.929 0.500 CB 1.259 15 residues pruned to eliminate duplicates Z: 10 3.927 1.416 0.108 0.531 0.889 0.556 CB 0.911 Z: 18 17.843 1.967 0.929 0.527 0.941 0.529 CA 1.180 18 residues pruned to eliminate duplicates Z: 6 2.741 1.431 0.125 0.494 0.800 0.800 CB 0.957 Z: 6 4.808 1.494 0.381 0.473 1.000 0.200 O 1.071 Z: 7 4.502 1.791 -0.189 0.375 1.000 0.333 CA 1.447 Z: 7 3.703 1.721 0.373 0.434 0.833 0.500 CB 0.822 Z: 18 21.814 2.102 0.465 0.676 1.000 0.647 CB 1.461 18 residues pruned to eliminate duplicates Z: 14 10.319 1.978 0.484 0.268 0.769 0.385 CA 1.650 14 residues pruned to eliminate duplicates Z: 15 8.857 1.767 0.632 0.415 0.929 0.357 CB 0.966 15 residues pruned to eliminate duplicates Z: 12 21.133 1.841 0.859 0.871 0.909 0.545 CA 1.494 13 residues pruned to eliminate duplicates Z: 21 8.617 1.794 0.167 0.310 0.850 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 18 8.957 1.880 0.191 0.331 0.824 0.471 CB 1.417 18 residues pruned to eliminate duplicates Z: 24 22.196 2.204 0.637 0.379 0.957 0.565 CB 1.526 24 residues pruned to eliminate duplicates Z: 17 14.298 2.002 0.442 0.371 0.875 0.500 N 1.624 27 residues pruned to eliminate duplicates Z: 31 17.139 2.015 0.465 0.364 0.833 0.533 CB 1.473 31 residues pruned to eliminate duplicates Z: 10 12.789 1.840 0.454 0.833 0.889 0.667 CA 1.345 11 residues pruned to eliminate duplicates Z: 41 27.634 2.021 0.626 0.525 0.875 0.600 CA 1.481 41 residues pruned to eliminate duplicates Z: 8 11.350 1.922 0.837 0.863 0.714 0.286 CA 1.248 8 residues pruned to eliminate duplicates Z: 13 7.495 1.939 0.298 0.313 0.750 0.417 CB 1.411 12 residues pruned to eliminate duplicates Z: 45 40.996 2.171 0.652 0.691 0.955 0.500 CB 1.516 45 residues pruned to eliminate duplicates Z: 9 2.590 1.505 0.189 0.338 0.625 0.250 CB 0.977 Z: 21 30.551 2.007 0.673 0.922 1.000 0.700 CB 1.430 21 residues pruned to eliminate duplicates Z: 8 2.694 1.347 0.044 0.282 1.000 0.571 CA 0.926 Z: 6 4.032 1.747 0.052 0.465 1.000 0.600 CB 1.017 Z: 21 15.925 2.124 0.272 0.523 0.900 0.550 CB 1.432 21 residues pruned to eliminate duplicates Z: 20 23.078 2.008 0.594 0.913 0.895 0.526 CB 1.309 20 residues pruned to eliminate duplicates Z: 27 16.383 1.837 0.374 0.493 0.923 0.692 CB 1.389 27 residues pruned to eliminate duplicates Z: 40 24.189 1.994 0.733 0.475 0.846 0.487 CA 1.359 40 residues pruned to eliminate duplicates Z: 20 26.476 1.998 0.728 0.896 0.947 0.737 CB 1.331 20 residues pruned to eliminate duplicates Z: 13 8.175 1.662 0.160 0.575 0.917 0.667 N 1.242 13 residues pruned to eliminate duplicates Z: 11 4.593 1.631 0.605 0.382 0.700 0.400 CB 0.899 Z: 6 4.538 1.468 0.816 0.489 0.800 0.400 CB 0.962 Z: 7 3.293 1.654 0.494 0.334 0.667 0.167 CB 0.979 Z: 9 6.754 1.638 0.439 0.599 0.875 0.375 CA 1.053 9 residues pruned to eliminate duplicates Z: 11 17.645 2.010 0.634 0.800 0.900 0.500 CA 1.452 11 residues pruned to eliminate duplicates Z: 7 2.320 1.525 -0.045 0.412 0.667 0.667 CB 1.070 Z: 11 11.770 2.035 0.707 0.416 0.900 0.300 CB 1.299 11 residues pruned to eliminate duplicates Z: 21 12.198 1.884 0.290 0.416 0.850 0.500 CB 1.441 21 residues pruned to eliminate duplicates Z: 14 9.875 1.875 0.383 0.445 0.846 0.615 CA 1.320 14 residues pruned to eliminate duplicates 9 1.496 1.617 0.336 0.184 0.750 0.375 CB 0.477 ? Z: 16 11.658 1.752 0.563 0.503 0.933 0.667 CA 1.175 16 residues pruned to eliminate duplicates Z: 11 10.654 1.597 0.621 0.717 0.900 0.500 CB 1.188 11 residues pruned to eliminate duplicates Z: 13 13.311 1.772 0.578 0.580 0.917 0.667 CB 1.389 12 residues pruned to eliminate duplicates Z: 6 3.095 1.387 0.868 0.294 0.800 0.400 C 0.842 Z: 8 8.860 1.815 0.176 0.861 1.000 0.857 CA 1.153 8 residues pruned to eliminate duplicates Z: 16 7.700 1.966 0.341 0.329 0.667 0.600 CB 1.365 16 residues pruned to eliminate duplicates Z: 9 4.786 1.508 0.909 0.356 0.750 0.625 CB 0.916 Z: 6 4.979 1.417 0.608 0.599 1.000 0.600 CB 0.889 6 residues pruned to eliminate duplicates Z: 29 15.326 1.974 0.186 0.434 1.000 0.714 CB 1.324 29 residues pruned to eliminate duplicates Z: 34 15.148 1.828 0.293 0.424 0.879 0.545 CA 1.374 34 residues pruned to eliminate duplicates Z: 30 16.486 1.879 0.399 0.503 0.828 0.586 CA 1.402 32 residues pruned to eliminate duplicates Z: 7 2.412 1.603 0.324 0.349 0.833 0.667 N 0.656 Z: 7 6.089 1.712 0.888 0.563 0.833 0.667 CB 0.868 7 residues pruned to eliminate duplicates Z: 14 5.115 1.489 0.545 0.332 0.692 0.462 N 1.071 7 residues pruned to eliminate duplicates Z: 9 15.433 2.046 0.361 0.840 1.000 0.875 CA 1.462 9 residues pruned to eliminate duplicates Z: 8 5.270 1.517 0.426 0.486 1.000 0.571 CB 0.934 Z: 8 6.883 1.979 0.397 0.297 0.857 0.571 CA 1.377 8 residues pruned to eliminate duplicates 7 1.496 1.276 0.585 0.115 0.667 0.333 N 0.737 ? Z: 6 7.207 1.347 1.034 0.814 1.000 0.600 N 0.895 Z: 8 4.581 1.512 0.764 0.283 0.857 0.429 C 0.968 Z: 11 5.327 1.719 0.692 0.425 0.800 0.600 CA 0.782 11 residues pruned to eliminate duplicates Z: 12 6.532 1.953 0.224 0.295 0.727 0.455 CB 1.425 12 residues pruned to eliminate duplicates Z: 10 15.267 1.986 0.572 0.512 1.000 0.889 CA 1.611 10 residues pruned to eliminate duplicates Z: 13 12.327 1.752 0.480 0.538 1.000 0.583 CA 1.321 12 residues pruned to eliminate duplicates Z: 34 14.739 1.821 0.230 0.387 0.939 0.455 CA 1.375 33 residues pruned to eliminate duplicates Z: 14 5.305 1.334 0.875 0.340 0.692 0.462 CB 1.011 14 residues pruned to eliminate duplicates Z: 6 11.368 1.709 0.733 0.683 1.000 0.800 CA 1.451 6 residues pruned to eliminate duplicates Z: 10 2.620 1.446 0.356 0.166 0.778 0.444 CB 0.861 10 residues pruned to eliminate duplicates Z: 21 16.377 1.879 0.687 0.525 0.850 0.650 CB 1.327 21 residues pruned to eliminate duplicates Z: 24 12.602 1.768 0.440 0.515 0.870 0.565 CB 1.169 24 residues pruned to eliminate duplicates Z: 8 6.285 1.640 0.801 0.596 0.857 0.714 CB 0.856 8 residues pruned to eliminate duplicates Z: 6 2.460 1.343 0.194 0.393 0.800 0.400 C 0.961 6 residues pruned to eliminate duplicates Z: 7 4.979 1.698 0.331 0.460 0.667 0.500 CA 1.406 Z: 7 5.683 1.464 0.325 0.632 0.833 0.500 O 1.267 Z: 9 4.489 1.689 0.716 0.370 1.000 0.625 CB 0.629 9 residues pruned to eliminate duplicates Z: 9 3.471 1.461 0.486 0.307 0.625 0.375 N 1.120 Z: 13 10.904 1.903 0.870 0.423 0.833 0.583 CB 1.151 13 residues pruned to eliminate duplicates Z: 11 3.171 1.541 0.380 0.182 0.800 0.300 CB 0.865 11 residues pruned to eliminate duplicates Z: 6 3.829 1.518 0.401 0.292 1.000 0.800 CA 1.017 Z: 6 5.386 1.562 0.520 0.544 1.000 0.600 CB 0.972 Z: 9 7.836 1.597 0.572 0.548 1.000 0.750 CB 1.053 Z: 7 4.333 1.371 0.599 0.343 1.000 0.833 O 0.957 Z: 15 8.313 1.747 0.318 0.405 0.786 0.643 CB 1.357 15 residues pruned to eliminate duplicates Z: 30 24.987 2.005 0.643 0.488 0.966 0.586 CA 1.476 30 residues pruned to eliminate duplicates Z: 13 10.277 1.871 0.594 0.360 0.917 0.417 CB 1.262 15 residues pruned to eliminate duplicates Z: 10 4.310 1.623 0.803 0.332 0.778 0.444 CB 0.759 Z: 7 5.501 1.767 0.427 0.392 0.833 0.667 CA 1.198 8 residues pruned to eliminate duplicates Z: 18 7.332 1.541 0.198 0.473 0.941 0.765 CB 1.052 18 residues pruned to eliminate duplicates Z: 34 23.383 2.097 0.531 0.470 0.909 0.576 CB 1.438 34 residues pruned to eliminate duplicates Z: 12 8.411 1.727 0.332 0.506 1.000 0.545 CB 1.096 12 residues pruned to eliminate duplicates 9 1.853 1.367 0.288 0.062 0.750 0.250 CB 0.882 ? Z: 19 23.133 2.025 0.416 0.885 1.000 0.778 CB 1.374 19 residues pruned to eliminate duplicates Z: 9 10.953 2.100 0.410 0.483 0.875 0.625 CA 1.521 9 residues pruned to eliminate duplicates Z: 7 15.230 2.052 0.696 0.753 1.000 0.833 CA 1.425 7 residues pruned to eliminate duplicates Z: 10 8.772 1.834 0.175 0.811 0.778 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 16 11.991 1.988 0.398 0.395 0.933 0.533 CB 1.334 16 residues pruned to eliminate duplicates Z: 7 5.453 1.703 0.179 0.652 1.000 0.667 CA 0.962 7 residues pruned to eliminate duplicates 7 1.527 1.427 0.230 0.305 0.667 0.667 CB 0.662 ? Z: 6 2.237 1.327 0.380 0.378 0.600 0.400 N 1.037 Z: 36 20.478 1.779 0.464 0.601 0.914 0.686 CB 1.320 26 residues pruned to eliminate duplicates Z: 13 7.588 1.748 0.281 0.417 0.833 0.583 CA 1.280 13 residues pruned to eliminate duplicates Z: 6 2.904 1.375 0.400 0.473 0.800 0.600 N 0.866 Z: 25 13.631 1.903 0.384 0.520 0.833 0.375 CB 1.243 25 residues pruned to eliminate duplicates Z: 7 4.608 1.563 0.696 0.473 0.833 0.333 CA 0.876 7 residues pruned to eliminate duplicates Z: 21 13.772 1.950 0.330 0.454 0.900 0.500 CA 1.384 21 residues pruned to eliminate duplicates Z: 6 3.963 1.425 0.796 0.378 0.800 0.400 CB 0.985 Z: 8 5.268 1.402 0.925 0.409 1.000 0.857 N 0.811 Z: 11 5.001 1.338 0.839 0.313 0.800 0.500 N 0.988 Z: 12 17.565 2.083 0.710 0.738 0.909 0.455 CB 1.320 12 residues pruned to eliminate duplicates Z: 16 12.716 1.978 0.378 0.619 0.867 0.800 CB 1.243 16 residues pruned to eliminate duplicates Z: 15 24.276 2.200 0.544 0.845 0.929 0.786 CB 1.530 15 residues pruned to eliminate duplicates Z: 6 2.479 1.524 0.191 0.455 0.600 0.400 CB 1.067 6 residues pruned to eliminate duplicates Z: 46 16.935 1.788 0.522 0.400 0.822 0.489 CA 1.253 46 residues pruned to eliminate duplicates Z: 7 3.344 1.636 0.129 0.328 0.833 0.333 CA 1.071 7 residues pruned to eliminate duplicates Z: 38 23.460 1.952 0.544 0.472 0.973 0.703 CB 1.354 38 residues pruned to eliminate duplicates Z: 7 4.085 1.746 0.918 0.620 1.000 0.667 CB 0.445 7 residues pruned to eliminate duplicates Z: 25 15.456 1.868 0.533 0.379 0.917 0.542 CB 1.368 25 residues pruned to eliminate duplicates Z: 55 44.626 2.180 0.709 0.638 0.981 0.444 CA 1.458 55 residues pruned to eliminate duplicates Z: 56 38.709 2.096 0.741 0.623 0.927 0.400 CB 1.374 56 residues pruned to eliminate duplicates Z: 6 3.104 1.750 0.075 0.575 0.600 0.600 N 1.143 Z: 15 9.283 1.993 0.262 0.414 0.714 0.429 CB 1.511 15 residues pruned to eliminate duplicates Z: 9 4.843 1.327 0.473 0.489 1.000 0.500 N 0.885 Z: 46 34.190 2.103 0.558 0.597 0.933 0.600 CA 1.519 46 residues pruned to eliminate duplicates Z: 23 17.772 2.159 0.546 0.317 0.864 0.455 CB 1.610 23 residues pruned to eliminate duplicates Z: 74 47.322 2.129 0.643 0.597 0.973 0.603 CA 1.484 73 residues pruned to eliminate duplicates Z: 15 14.155 2.072 0.641 0.382 0.857 0.571 CB 1.471 12 residues pruned to eliminate duplicates Z: 23 10.921 1.882 0.402 0.238 0.818 0.409 CB 1.462 23 residues pruned to eliminate duplicates Z: 37 21.337 2.003 0.337 0.546 0.833 0.444 CB 1.524 37 residues pruned to eliminate duplicates Z: 8 3.499 1.265 0.675 0.279 1.000 0.571 CB 0.801 Z: 13 11.984 2.106 0.358 0.487 0.917 0.667 CA 1.337 13 residues pruned to eliminate duplicates 7 1.885 1.210 0.264 0.411 0.833 0.500 O 0.663 ? Z: 23 15.071 1.928 0.491 0.495 0.864 0.591 CA 1.301 23 residues pruned to eliminate duplicates Z: 7 2.641 1.504 0.300 0.497 0.667 0.333 CB 0.830 Z: 8 5.445 1.899 0.408 0.395 0.714 0.714 CA 1.204 6 residues pruned to eliminate duplicates Z: 12 22.730 1.898 0.907 0.904 0.909 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 7 4.424 1.249 0.686 0.419 1.000 0.500 C 0.933 Z: 34 22.994 1.926 0.589 0.517 0.909 0.455 CB 1.414 34 residues pruned to eliminate duplicates Z: 13 7.939 1.654 0.362 0.434 0.833 0.583 CA 1.307 13 residues pruned to eliminate duplicates Z: 10 4.833 1.839 0.679 0.201 0.778 0.556 CB 0.957 10 residues pruned to eliminate duplicates Z: 8 3.999 1.337 0.526 0.619 0.714 0.571 CB 0.927 8 residues pruned to eliminate duplicates Z: 25 14.675 1.867 0.364 0.492 0.958 0.583 CA 1.237 25 residues pruned to eliminate duplicates Z: 13 15.175 2.142 0.504 0.601 0.833 0.333 CB 1.483 13 residues pruned to eliminate duplicates Z: 35 18.511 1.952 0.400 0.462 0.882 0.618 CB 1.368 35 residues pruned to eliminate duplicates Z: 6 3.048 1.129 0.927 0.424 0.800 0.600 N 0.848 Z: 12 4.365 1.722 0.422 0.328 0.636 0.545 CA 1.021 12 residues pruned to eliminate duplicates Z: 6 2.597 1.110 0.511 0.424 1.000 0.400 N 0.749 Z: 52 32.997 2.061 0.476 0.566 0.922 0.608 CB 1.547 52 residues pruned to eliminate duplicates Z: 20 11.030 1.746 0.355 0.475 0.947 0.526 CB 1.158 20 residues pruned to eliminate duplicates Z: 7 4.613 1.329 0.306 0.626 1.000 0.833 CA 0.963 Z: 8 6.228 1.603 0.405 0.640 1.000 0.857 CB 0.917 Z: 8 4.823 1.310 0.523 0.355 1.000 0.571 N 1.069 Z: 27 10.454 1.751 0.489 0.318 0.692 0.423 C 1.388 27 residues pruned to eliminate duplicates Z: 15 20.339 1.928 0.549 0.893 1.000 0.786 CB 1.307 15 residues pruned to eliminate duplicates Z: 23 10.229 1.729 0.270 0.460 0.864 0.591 CB 1.199 23 residues pruned to eliminate duplicates Z: 10 3.562 1.717 0.127 0.341 0.889 0.556 CB 0.821 10 residues pruned to eliminate duplicates 7 1.921 1.349 0.488 0.324 0.500 0.500 N 0.948 ? Z: 8 5.251 1.515 0.554 0.589 0.857 0.571 CB 0.903 6 residues pruned to eliminate duplicates Z: 6 3.211 1.752 0.082 0.482 0.600 0.600 CA 1.285 6 residues pruned to eliminate duplicates Z: 16 12.650 1.889 0.899 0.352 0.733 0.667 CA 1.457 16 residues pruned to eliminate duplicates 6 1.248 1.109 0.003 0.298 0.800 0.400 N 0.787 ? 6 1.446 1.165 0.379 0.487 1.000 0.600 CB 0.408 ? Z: 25 16.355 1.927 0.756 0.404 0.833 0.542 CB 1.310 25 residues pruned to eliminate duplicates Z: 34 18.049 1.844 0.338 0.498 0.939 0.576 CB 1.357 33 residues pruned to eliminate duplicates Z: 19 9.261 1.812 0.447 0.394 0.833 0.556 CB 1.118 19 residues pruned to eliminate duplicates Z: 9 3.991 1.325 0.208 0.364 0.875 0.625 CB 1.167 Z: 7 3.203 1.564 0.558 0.275 0.667 0.500 CB 1.039 7 residues pruned to eliminate duplicates Z: 32 11.356 1.893 0.332 0.391 0.774 0.516 CB 1.172 32 residues pruned to eliminate duplicates Z: 9 10.309 1.792 0.708 0.843 0.750 0.625 CB 1.182 11 residues pruned to eliminate duplicates Z: 8 2.337 1.359 0.313 0.517 0.857 0.714 CB 0.568 Z: 8 2.930 1.721 -0.057 0.424 0.857 0.429 CB 0.862 Z: 35 29.761 1.944 0.653 0.675 0.971 0.706 CB 1.393 35 residues pruned to eliminate duplicates Z: 8 3.758 1.812 0.265 0.330 0.857 0.429 CB 0.871 14 residues pruned to eliminate duplicates Z: 7 2.739 1.525 0.187 0.307 0.833 0.500 CB 0.919 Using tripeptides from previous cycle as seeds Z: 14 11.392 1.727 0.354 0.616 0.923 0.615 CA 1.311 14 residues pruned to eliminate duplicates Z: 6 4.119 1.389 0.956 0.457 1.000 0.800 CA 0.708 6 residues pruned to eliminate duplicates Z: 11 9.330 1.750 0.715 0.383 0.800 0.500 CB 1.392 11 residues pruned to eliminate duplicates Z: 16 12.634 1.789 0.578 0.484 0.867 0.533 CB 1.354 15 residues pruned to eliminate duplicates Z: 6 3.236 1.737 0.703 0.465 0.800 0.400 CB 0.634 6 residues pruned to eliminate duplicates Z: 11 5.252 1.815 0.442 0.347 0.800 0.200 CB 0.936 10 residues pruned to eliminate duplicates Z: 6 6.497 1.667 0.170 0.830 0.800 0.400 CA 1.401 7 residues pruned to eliminate duplicates Z: 8 3.329 1.180 0.622 0.538 0.714 0.571 N 0.887 8 residues pruned to eliminate duplicates Z: 12 9.431 1.808 0.849 0.388 0.818 0.545 CB 1.171 14 residues pruned to eliminate duplicates Z: 11 9.642 1.811 0.691 0.508 0.800 0.500 CA 1.235 11 residues pruned to eliminate duplicates Z: 8 3.354 1.466 0.883 0.558 0.571 0.286 CA 0.760 8 residues pruned to eliminate duplicates Z: 9 8.373 2.007 0.556 0.363 0.875 0.500 CA 1.255 9 residues pruned to eliminate duplicates Z: 8 6.087 1.302 0.623 0.739 1.000 0.571 N 0.879 7 residues pruned to eliminate duplicates Z: 8 11.260 1.949 0.446 0.631 1.000 0.286 CA 1.335 8 residues pruned to eliminate duplicates Z: 27 16.837 1.949 0.419 0.428 0.885 0.615 CA 1.454 27 residues pruned to eliminate duplicates Z: 7 5.830 1.772 0.451 0.442 0.833 0.333 CB 1.179 7 residues pruned to eliminate duplicates Z: 26 18.434 1.985 0.514 0.436 0.880 0.560 CA 1.490 26 residues pruned to eliminate duplicates Z: 25 16.445 1.944 0.452 0.428 0.917 0.708 CA 1.398 25 residues pruned to eliminate duplicates Z: 26 20.125 1.949 0.558 0.457 0.920 0.600 CA 1.505 26 residues pruned to eliminate duplicates Z: 25 18.122 1.977 0.591 0.373 0.958 0.542 CA 1.405 25 residues pruned to eliminate duplicates Z: 26 18.948 1.978 0.487 0.444 0.920 0.640 CA 1.483 26 residues pruned to eliminate duplicates Z: 26 19.554 1.992 0.479 0.443 0.960 0.600 CB 1.467 26 residues pruned to eliminate duplicates Z: 25 18.449 1.994 0.515 0.426 0.917 0.667 CA 1.469 25 residues pruned to eliminate duplicates Z: 27 18.432 1.938 0.562 0.407 0.923 0.577 CB 1.426 27 residues pruned to eliminate duplicates Z: 27 17.020 1.906 0.534 0.430 0.885 0.654 CB 1.387 27 residues pruned to eliminate duplicates Z: 28 15.154 1.902 0.398 0.432 0.852 0.556 CA 1.382 28 residues pruned to eliminate duplicates Z: 26 17.072 1.961 0.369 0.416 0.920 0.640 CB 1.509 26 residues pruned to eliminate duplicates Z: 25 10.820 1.737 0.530 0.380 0.833 0.458 CA 1.133 25 residues pruned to eliminate duplicates Z: 26 18.818 1.983 0.501 0.441 0.880 0.600 CA 1.528 26 residues pruned to eliminate duplicates Z: 28 16.141 1.920 0.481 0.439 0.889 0.593 CB 1.309 28 residues pruned to eliminate duplicates Z: 28 15.592 1.871 0.547 0.387 0.852 0.444 CA 1.372 28 residues pruned to eliminate duplicates Z: 17 11.202 1.766 0.579 0.330 0.938 0.375 CA 1.290 17 residues pruned to eliminate duplicates Z: 15 9.436 1.806 0.438 0.401 0.857 0.357 CA 1.257 15 residues pruned to eliminate duplicates Z: 10 7.211 1.607 0.503 0.494 1.000 0.333 CA 1.002 10 residues pruned to eliminate duplicates Z: 27 14.900 1.909 0.614 0.348 0.846 0.538 CB 1.322 27 residues pruned to eliminate duplicates Z: 27 14.489 1.960 0.391 0.382 0.846 0.462 CB 1.397 27 residues pruned to eliminate duplicates Z: 19 8.874 1.753 0.358 0.396 0.833 0.222 CB 1.176 15 residues pruned to eliminate duplicates Z: 7 4.183 1.713 0.517 0.623 0.833 0.500 CA 0.702 7 residues pruned to eliminate duplicates Z: 19 11.231 1.828 0.418 0.433 1.000 0.500 CB 1.095 19 residues pruned to eliminate duplicates Z: 16 11.818 1.925 0.440 0.508 0.933 0.533 CA 1.170 16 residues pruned to eliminate duplicates Z: 11 12.433 1.948 0.709 0.608 0.900 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 16 11.187 1.876 0.530 0.553 0.867 0.600 CA 1.103 16 residues pruned to eliminate duplicates Z: 17 11.893 1.958 0.459 0.532 0.875 0.562 CB 1.153 17 residues pruned to eliminate duplicates Z: 15 11.533 1.869 0.506 0.535 0.857 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 17 12.015 1.913 0.511 0.502 0.875 0.750 CA 1.186 17 residues pruned to eliminate duplicates Z: 15 10.098 1.893 0.480 0.524 0.929 0.571 CB 1.013 15 residues pruned to eliminate duplicates Z: 16 9.321 1.853 0.491 0.454 0.800 0.600 CB 1.142 16 residues pruned to eliminate duplicates Z: 19 10.972 1.770 0.526 0.539 0.889 0.500 CB 1.037 19 residues pruned to eliminate duplicates Z: 16 9.881 1.928 0.323 0.505 0.933 0.533 CB 1.067 16 residues pruned to eliminate duplicates Z: 16 9.278 1.938 0.355 0.437 0.933 0.533 CB 1.043 16 residues pruned to eliminate duplicates Z: 10 7.317 1.841 0.708 0.412 0.778 0.444 CA 1.093 6 residues pruned to eliminate duplicates Z: 6 4.502 1.501 0.653 0.404 0.800 0.600 N 1.122 6 residues pruned to eliminate duplicates Z: 30 15.446 1.974 0.339 0.426 0.897 0.552 CB 1.307 30 residues pruned to eliminate duplicates Z: 9 6.125 1.801 0.033 0.446 1.000 0.375 CB 1.231 9 residues pruned to eliminate duplicates Z: 29 15.971 1.990 0.283 0.451 0.964 0.607 CB 1.290 29 residues pruned to eliminate duplicates Z: 30 12.990 1.937 0.242 0.414 0.966 0.621 CB 1.136 31 residues pruned to eliminate duplicates Z: 6 7.005 1.824 0.466 0.300 1.000 0.600 CA 1.464 6 residues pruned to eliminate duplicates Z: 29 15.257 1.998 0.265 0.414 0.929 0.464 CB 1.344 29 residues pruned to eliminate duplicates Z: 24 14.467 1.990 0.334 0.418 0.913 0.478 CB 1.356 24 residues pruned to eliminate duplicates Z: 28 15.653 2.002 0.355 0.405 0.926 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 7 6.118 1.601 0.454 0.450 1.000 0.833 CA 1.130 7 residues pruned to eliminate duplicates Z: 31 16.024 1.956 0.320 0.444 0.967 0.567 CB 1.242 29 residues pruned to eliminate duplicates Z: 7 4.321 1.660 0.124 0.475 0.833 0.667 CA 1.163 7 residues pruned to eliminate duplicates Z: 29 15.636 1.969 0.357 0.424 0.929 0.607 CB 1.289 29 residues pruned to eliminate duplicates Z: 29 15.241 1.980 0.286 0.419 0.893 0.571 CB 1.378 29 residues pruned to eliminate duplicates Z: 30 16.612 1.933 0.380 0.434 0.931 0.621 CB 1.331 31 residues pruned to eliminate duplicates Z: 6 2.089 1.405 0.788 0.243 0.800 0.600 CB 0.626 6 residues pruned to eliminate duplicates Z: 6 4.589 1.953 0.206 0.596 1.000 0.800 CB 0.794 5 residues pruned to eliminate duplicates Z: 8 5.107 1.500 0.626 0.441 0.857 0.429 CA 0.981 8 residues pruned to eliminate duplicates Z: 20 12.741 1.872 0.335 0.376 0.895 0.474 CB 1.492 20 residues pruned to eliminate duplicates Z: 7 3.824 1.507 0.156 0.405 0.833 0.500 CB 1.188 7 residues pruned to eliminate duplicates Z: 20 7.935 1.793 0.218 0.322 0.842 0.579 CA 1.204 20 residues pruned to eliminate duplicates Z: 20 9.184 1.887 0.180 0.311 0.895 0.474 CA 1.305 20 residues pruned to eliminate duplicates Z: 18 11.315 1.957 0.376 0.374 0.824 0.588 CA 1.417 18 residues pruned to eliminate duplicates Z: 21 11.234 1.893 0.304 0.373 0.800 0.550 CA 1.457 21 residues pruned to eliminate duplicates Z: 19 10.090 1.890 0.258 0.367 0.889 0.444 CA 1.299 19 residues pruned to eliminate duplicates Z: 16 12.170 1.998 0.172 0.363 1.000 0.467 CA 1.555 16 residues pruned to eliminate duplicates Z: 7 5.825 1.737 0.725 0.403 0.667 0.500 CA 1.319 7 residues pruned to eliminate duplicates Z: 36 24.519 2.026 0.472 0.480 0.971 0.486 CA 1.459 38 residues pruned to eliminate duplicates Z: 37 25.068 2.013 0.543 0.489 0.944 0.583 CB 1.441 36 residues pruned to eliminate duplicates Z: 15 13.407 1.975 0.407 0.383 1.000 0.500 CA 1.461 15 residues pruned to eliminate duplicates Z: 36 23.099 2.039 0.450 0.479 0.971 0.657 CB 1.389 36 residues pruned to eliminate duplicates Z: 13 14.630 1.987 0.520 0.412 1.000 0.667 CA 1.533 13 residues pruned to eliminate duplicates Z: 17 14.928 1.878 0.508 0.386 1.000 0.500 CB 1.487 17 residues pruned to eliminate duplicates Z: 37 21.051 2.013 0.419 0.461 0.889 0.583 CB 1.438 37 residues pruned to eliminate duplicates Z: 37 22.982 2.016 0.491 0.454 0.944 0.556 CB 1.413 36 residues pruned to eliminate duplicates Z: 7 5.943 1.894 0.492 0.278 0.833 0.167 CA 1.324 7 residues pruned to eliminate duplicates Z: 37 24.164 1.991 0.480 0.490 0.972 0.556 CB 1.420 38 residues pruned to eliminate duplicates Z: 29 19.027 1.988 0.493 0.438 0.929 0.500 CB 1.391 27 residues pruned to eliminate duplicates Z: 6 4.966 1.925 0.594 0.379 0.800 0.400 CA 1.030 6 residues pruned to eliminate duplicates Z: 38 20.966 1.994 0.485 0.431 0.892 0.568 CA 1.401 38 residues pruned to eliminate duplicates Z: 24 18.961 2.103 0.489 0.512 0.870 0.522 CB 1.435 24 residues pruned to eliminate duplicates Z: 24 20.350 2.081 0.430 0.555 0.957 0.609 CB 1.413 26 residues pruned to eliminate duplicates Z: 23 17.188 2.094 0.438 0.505 0.864 0.455 CB 1.403 23 residues pruned to eliminate duplicates Z: 25 19.838 2.087 0.494 0.511 0.875 0.583 CA 1.468 25 residues pruned to eliminate duplicates Z: 27 17.679 2.015 0.556 0.452 0.885 0.615 CB 1.314 27 residues pruned to eliminate duplicates Z: 36 22.296 2.042 0.496 0.477 0.857 0.514 CB 1.473 36 residues pruned to eliminate duplicates Z: 23 19.290 2.131 0.492 0.466 0.909 0.455 CB 1.472 23 residues pruned to eliminate duplicates Z: 22 19.918 2.165 0.433 0.564 0.905 0.714 CB 1.456 22 residues pruned to eliminate duplicates Z: 18 16.133 2.115 0.479 0.531 0.941 0.588 CB 1.289 18 residues pruned to eliminate duplicates Z: 19 15.281 2.071 0.374 0.519 0.944 0.667 CB 1.314 19 residues pruned to eliminate duplicates Z: 23 21.797 2.181 0.500 0.541 0.909 0.591 CA 1.501 24 residues pruned to eliminate duplicates Z: 24 19.568 2.087 0.460 0.498 0.957 0.565 CB 1.402 24 residues pruned to eliminate duplicates Z: 24 19.320 2.148 0.503 0.504 0.870 0.696 CB 1.428 24 residues pruned to eliminate duplicates Z: 19 15.782 2.104 0.493 0.510 0.889 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 8 16.860 2.177 0.869 0.613 1.000 0.857 CB 1.407 8 residues pruned to eliminate duplicates Z: 35 22.973 2.075 0.509 0.466 0.912 0.676 CB 1.429 35 residues pruned to eliminate duplicates Z: 7 4.373 1.803 0.404 0.407 0.833 0.500 CA 0.933 7 residues pruned to eliminate duplicates Z: 11 5.376 1.610 0.433 0.430 1.000 0.400 CA 0.792 11 residues pruned to eliminate duplicates Z: 9 3.968 1.559 0.629 0.227 0.750 0.000 CA 1.013 9 residues pruned to eliminate duplicates Z: 22 12.798 1.943 0.529 0.345 0.857 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 9 4.052 1.591 0.577 0.309 0.750 0.375 CA 0.941 9 residues pruned to eliminate duplicates Z: 9 5.137 1.661 0.607 0.296 0.875 0.500 N 0.977 8 residues pruned to eliminate duplicates Z: 6 4.309 1.652 0.115 0.332 1.000 0.400 CA 1.257 6 residues pruned to eliminate duplicates Z: 15 11.116 2.014 0.483 0.422 0.786 0.500 CB 1.373 15 residues pruned to eliminate duplicates Z: 18 8.875 1.906 0.492 0.332 0.824 0.353 CB 1.104 18 residues pruned to eliminate duplicates Z: 18 9.919 1.954 0.470 0.397 0.765 0.471 CB 1.221 18 residues pruned to eliminate duplicates Z: 23 11.394 1.863 0.448 0.333 0.818 0.455 CB 1.322 23 residues pruned to eliminate duplicates Z: 6 13.535 2.085 0.596 0.588 1.000 0.600 CB 1.672 6 residues pruned to eliminate duplicates Z: 16 10.419 1.976 0.391 0.406 0.867 0.467 CB 1.247 16 residues pruned to eliminate duplicates Z: 24 13.116 1.866 0.562 0.387 0.826 0.435 CB 1.281 24 residues pruned to eliminate duplicates Z: 6 4.749 1.532 0.774 0.435 1.000 1.000 CA 0.836 6 residues pruned to eliminate duplicates Z: 10 8.555 1.997 0.773 0.344 0.778 0.444 CA 1.228 10 residues pruned to eliminate duplicates Z: 18 10.487 1.720 0.542 0.326 0.824 0.412 CA 1.409 18 residues pruned to eliminate duplicates Z: 17 8.339 1.829 0.516 0.280 0.812 0.375 CA 1.187 17 residues pruned to eliminate duplicates Z: 10 7.365 1.958 0.492 0.463 0.667 0.333 CB 1.309 10 residues pruned to eliminate duplicates Z: 36 24.307 2.049 0.403 0.659 0.886 0.771 CA 1.392 36 residues pruned to eliminate duplicates Z: 91 37.246 1.992 0.489 0.533 0.911 0.578 CA 1.406 91 residues pruned to eliminate duplicates Z: 74 40.340 2.027 0.603 0.577 0.904 0.603 CB 1.493 74 residues pruned to eliminate duplicates Z: 22 12.444 2.039 0.133 0.420 0.857 0.524 CA 1.490 22 residues pruned to eliminate duplicates Z: 61 32.909 2.039 0.405 0.578 0.933 0.650 CA 1.474 61 residues pruned to eliminate duplicates Z: 70 41.055 2.092 0.526 0.565 0.942 0.609 CA 1.543 70 residues pruned to eliminate duplicates Z: 42 30.361 2.097 0.360 0.689 0.951 0.805 CA 1.471 42 residues pruned to eliminate duplicates Z: 53 35.236 2.066 0.556 0.637 0.962 0.596 CA 1.391 53 residues pruned to eliminate duplicates Z: 75 38.042 2.058 0.494 0.563 0.919 0.595 CA 1.473 75 residues pruned to eliminate duplicates Z: 68 40.251 2.067 0.501 0.605 0.940 0.687 CA 1.525 68 residues pruned to eliminate duplicates Z: 35 28.262 2.102 0.469 0.629 0.941 0.706 CA 1.477 35 residues pruned to eliminate duplicates Z: 59 37.783 2.027 0.535 0.618 0.983 0.586 CA 1.452 59 residues pruned to eliminate duplicates Z: 50 35.088 2.096 0.529 0.660 0.939 0.714 CA 1.436 50 residues pruned to eliminate duplicates Z: 36 26.580 2.032 0.476 0.611 0.943 0.800 CA 1.430 36 residues pruned to eliminate duplicates Z: 68 35.948 2.048 0.536 0.552 0.910 0.642 CB 1.458 68 residues pruned to eliminate duplicates Z: 30 23.147 2.036 0.323 0.662 0.931 0.690 CA 1.475 30 residues pruned to eliminate duplicates Z: 92 40.884 2.071 0.487 0.503 0.912 0.571 CA 1.520 92 residues pruned to eliminate duplicates Z: 70 39.569 2.076 0.529 0.559 0.913 0.565 CB 1.552 70 residues pruned to eliminate duplicates Z: 55 32.962 2.050 0.540 0.588 0.889 0.648 CA 1.470 55 residues pruned to eliminate duplicates Z: 51 34.726 2.046 0.508 0.656 0.940 0.620 CA 1.464 51 residues pruned to eliminate duplicates Z: 45 33.688 2.081 0.484 0.656 0.977 0.659 CB 1.455 45 residues pruned to eliminate duplicates Z: 71 32.817 2.034 0.470 0.502 0.914 0.529 CA 1.433 71 residues pruned to eliminate duplicates Z: 76 41.358 2.049 0.611 0.575 0.880 0.507 CA 1.529 76 residues pruned to eliminate duplicates Z: 44 32.402 2.055 0.496 0.678 0.930 0.721 CA 1.467 44 residues pruned to eliminate duplicates Z: 75 33.451 2.032 0.457 0.502 0.892 0.541 CA 1.470 75 residues pruned to eliminate duplicates Z: 78 40.475 2.065 0.560 0.534 0.909 0.610 CA 1.524 78 residues pruned to eliminate duplicates Z: 64 35.474 2.060 0.559 0.551 0.905 0.571 CB 1.463 64 residues pruned to eliminate duplicates Z: 53 34.674 2.060 0.515 0.626 0.923 0.673 CB 1.483 53 residues pruned to eliminate duplicates Z: 50 38.991 2.055 0.585 0.649 0.959 0.653 CB 1.552 50 residues pruned to eliminate duplicates Z: 76 42.277 2.090 0.546 0.565 0.933 0.600 CA 1.520 76 residues pruned to eliminate duplicates Z: 53 27.016 2.005 0.470 0.487 0.885 0.538 CB 1.455 53 residues pruned to eliminate duplicates Z: 36 30.176 2.024 0.609 0.680 0.943 0.571 CA 1.408 36 residues pruned to eliminate duplicates Z: 33 36.227 2.125 0.632 0.758 0.938 0.625 CB 1.566 33 residues pruned to eliminate duplicates Z: 59 42.457 2.111 0.586 0.587 0.966 0.517 CA 1.587 59 residues pruned to eliminate duplicates Z: 44 36.828 2.079 0.572 0.682 0.977 0.581 CA 1.490 44 residues pruned to eliminate duplicates Z: 44 34.026 2.077 0.511 0.676 0.930 0.721 CA 1.511 44 residues pruned to eliminate duplicates Z: 23 16.261 1.905 0.679 0.466 0.864 0.591 CB 1.299 23 residues pruned to eliminate duplicates Z: 99 40.616 2.040 0.495 0.534 0.898 0.612 CB 1.448 99 residues pruned to eliminate duplicates Z: 79 42.012 2.069 0.576 0.544 0.910 0.538 CA 1.535 79 residues pruned to eliminate duplicates Z: 69 38.982 2.041 0.630 0.569 0.897 0.529 CB 1.482 69 residues pruned to eliminate duplicates Z: 39 27.814 2.062 0.683 0.458 0.921 0.526 CA 1.473 39 residues pruned to eliminate duplicates Z: 55 34.265 2.061 0.469 0.605 0.926 0.648 CA 1.505 55 residues pruned to eliminate duplicates Z: 86 40.466 2.064 0.504 0.532 0.906 0.576 CA 1.513 86 residues pruned to eliminate duplicates Z: 76 42.790 2.085 0.570 0.576 0.947 0.533 CA 1.482 76 residues pruned to eliminate duplicates Z: 73 37.588 2.033 0.568 0.500 0.931 0.486 CA 1.493 73 residues pruned to eliminate duplicates Z: 48 28.024 2.019 0.646 0.460 0.915 0.511 CB 1.401 48 residues pruned to eliminate duplicates Z: 65 38.269 2.086 0.573 0.544 0.922 0.578 CA 1.514 65 residues pruned to eliminate duplicates Z: 76 41.654 2.077 0.573 0.564 0.933 0.587 CA 1.482 76 residues pruned to eliminate duplicates Z: 69 42.669 2.093 0.566 0.566 0.941 0.574 CA 1.574 69 residues pruned to eliminate duplicates Z: 39 28.213 2.106 0.604 0.442 0.947 0.500 CB 1.519 39 residues pruned to eliminate duplicates Z: 39 28.200 2.100 0.536 0.465 0.974 0.474 CB 1.509 39 residues pruned to eliminate duplicates Z: 39 18.558 2.007 0.518 0.330 0.789 0.447 CA 1.508 39 residues pruned to eliminate duplicates Z: 22 16.603 2.039 0.412 0.453 0.857 0.571 CA 1.541 22 residues pruned to eliminate duplicates Z: 76 43.240 2.071 0.610 0.557 0.960 0.587 CA 1.475 76 residues pruned to eliminate duplicates Z: 56 38.073 2.089 0.641 0.561 0.909 0.564 CB 1.552 56 residues pruned to eliminate duplicates Z: 22 18.281 2.128 0.603 0.357 0.810 0.524 CA 1.686 22 residues pruned to eliminate duplicates Z: 28 19.747 2.057 0.554 0.311 0.889 0.370 CB 1.648 28 residues pruned to eliminate duplicates Z: 20 13.758 2.027 0.356 0.322 0.895 0.526 CA 1.562 20 residues pruned to eliminate duplicates Z: 27 16.568 2.010 0.477 0.386 0.808 0.423 CB 1.530 27 residues pruned to eliminate duplicates Z: 24 19.412 2.085 0.615 0.290 0.957 0.348 CA 1.591 24 residues pruned to eliminate duplicates Z: 28 17.171 1.944 0.504 0.353 0.889 0.407 CA 1.490 28 residues pruned to eliminate duplicates Z: 30 21.542 2.000 0.690 0.417 0.862 0.414 CA 1.497 30 residues pruned to eliminate duplicates Z: 30 19.459 2.036 0.493 0.406 0.862 0.552 CA 1.523 30 residues pruned to eliminate duplicates Z: 71 42.502 2.092 0.587 0.581 0.943 0.600 CA 1.501 71 residues pruned to eliminate duplicates Z: 33 21.205 1.990 0.525 0.381 0.938 0.469 CA 1.495 33 residues pruned to eliminate duplicates Z: 78 37.561 2.037 0.523 0.529 0.922 0.506 CA 1.454 78 residues pruned to eliminate duplicates Z: 75 40.250 2.060 0.547 0.555 0.932 0.568 CA 1.493 75 residues pruned to eliminate duplicates Z: 43 28.645 2.070 0.559 0.499 0.929 0.524 CB 1.476 43 residues pruned to eliminate duplicates Z: 13 9.323 1.880 0.320 0.504 0.917 0.417 CA 1.178 9 residues pruned to eliminate duplicates Z: 11 11.361 1.763 0.521 0.843 0.900 0.600 CB 1.108 11 residues pruned to eliminate duplicates Z: 79 39.777 2.043 0.552 0.532 0.936 0.513 CA 1.471 79 residues pruned to eliminate duplicates Z: 35 13.546 1.822 0.451 0.322 0.853 0.441 CA 1.254 34 residues pruned to eliminate duplicates Z: 11 8.582 1.882 0.645 0.634 0.700 0.500 CA 1.105 11 residues pruned to eliminate duplicates Z: 14 8.006 1.785 0.554 0.445 0.846 0.538 CA 1.001 14 residues pruned to eliminate duplicates Z: 16 7.439 1.870 0.417 0.394 0.733 0.467 CA 1.106 17 residues pruned to eliminate duplicates Z: 7 7.761 1.457 0.911 0.497 1.000 0.667 N 1.142 7 residues pruned to eliminate duplicates Z: 12 17.922 2.136 0.590 0.544 1.000 0.455 CB 1.523 12 residues pruned to eliminate duplicates Z: 6 9.631 1.743 0.768 0.454 1.000 0.600 CA 1.465 6 residues pruned to eliminate duplicates Z: 11 13.778 1.978 0.600 0.569 0.900 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 14 13.009 1.917 0.357 0.482 0.923 0.308 CA 1.530 14 residues pruned to eliminate duplicates Z: 9 12.347 2.076 0.694 0.576 0.875 0.375 CB 1.318 9 residues pruned to eliminate duplicates Z: 39 20.437 1.995 0.319 0.480 0.921 0.605 CB 1.396 39 residues pruned to eliminate duplicates Z: 6 2.946 1.447 0.457 0.629 1.000 0.600 CA 0.553 6 residues pruned to eliminate duplicates Z: 26 17.593 1.930 0.545 0.499 0.920 0.560 CB 1.283 26 residues pruned to eliminate duplicates Z: 25 18.383 1.949 0.459 0.568 0.958 0.667 CB 1.289 25 residues pruned to eliminate duplicates Z: 21 21.240 2.021 0.464 0.585 1.000 0.650 CA 1.479 21 residues pruned to eliminate duplicates Z: 51 25.624 1.966 0.392 0.474 0.920 0.640 CB 1.477 51 residues pruned to eliminate duplicates Z: 11 10.624 1.995 0.373 0.577 0.900 0.700 CB 1.265 11 residues pruned to eliminate duplicates Z: 23 20.613 2.059 0.524 0.554 0.955 0.591 CB 1.392 23 residues pruned to eliminate duplicates Z: 9 11.885 2.041 0.605 0.606 1.000 0.750 CA 1.160 9 residues pruned to eliminate duplicates Z: 12 11.761 1.969 0.607 0.467 0.909 0.636 CA 1.275 12 residues pruned to eliminate duplicates Z: 26 14.092 1.933 0.335 0.512 0.920 0.640 CB 1.173 26 residues pruned to eliminate duplicates Z: 13 9.537 1.904 0.616 0.419 0.833 0.500 CB 1.168 13 residues pruned to eliminate duplicates Z: 38 19.428 2.000 0.431 0.436 0.865 0.514 CB 1.379 38 residues pruned to eliminate duplicates Z: 27 13.508 1.815 0.420 0.383 0.885 0.538 CB 1.315 27 residues pruned to eliminate duplicates Z: 23 12.929 1.942 0.303 0.409 0.818 0.682 CA 1.465 23 residues pruned to eliminate duplicates Z: 19 9.528 1.829 0.281 0.297 0.889 0.333 CA 1.352 19 residues pruned to eliminate duplicates Z: 14 8.295 1.904 0.196 0.362 0.846 0.538 CB 1.386 14 residues pruned to eliminate duplicates Z: 16 8.652 1.953 0.175 0.306 0.867 0.400 CB 1.393 16 residues pruned to eliminate duplicates Z: 17 8.915 1.965 0.185 0.288 0.875 0.500 CB 1.388 17 residues pruned to eliminate duplicates Z: 16 8.934 1.925 0.277 0.330 0.867 0.267 CB 1.305 16 residues pruned to eliminate duplicates Z: 16 8.134 1.775 0.140 0.357 0.867 0.400 C 1.397 16 residues pruned to eliminate duplicates Z: 11 8.154 1.789 0.143 0.376 1.000 0.400 CB 1.440 11 residues pruned to eliminate duplicates Z: 16 9.858 1.959 0.232 0.280 0.933 0.467 CB 1.449 16 residues pruned to eliminate duplicates Z: 10 5.296 1.919 0.152 0.229 0.778 0.333 CA 1.408 10 residues pruned to eliminate duplicates Z: 17 7.969 1.869 0.223 0.245 0.875 0.500 CB 1.337 17 residues pruned to eliminate duplicates Z: 41 23.427 1.985 0.529 0.458 0.925 0.600 CB 1.377 41 residues pruned to eliminate duplicates Z: 6 3.384 1.591 0.611 0.322 0.600 0.000 CA 1.196 6 residues pruned to eliminate duplicates Z: 32 17.077 1.860 0.526 0.350 0.871 0.355 CA 1.459 29 residues pruned to eliminate duplicates Z: 22 9.517 1.820 0.282 0.325 0.857 0.429 CB 1.260 22 residues pruned to eliminate duplicates Z: 13 9.484 1.908 0.365 0.392 0.917 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 14 7.801 1.815 0.200 0.390 0.923 0.615 CB 1.209 14 residues pruned to eliminate duplicates Z: 11 10.035 2.036 0.246 0.428 1.000 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 13 11.616 1.961 0.298 0.439 1.000 0.583 CB 1.402 13 residues pruned to eliminate duplicates Z: 10 7.706 2.014 0.156 0.365 0.889 0.333 CB 1.436 10 residues pruned to eliminate duplicates Z: 14 8.821 1.853 0.266 0.374 0.923 0.462 CA 1.293 14 residues pruned to eliminate duplicates Z: 17 10.372 1.879 0.305 0.354 0.875 0.500 CA 1.417 17 residues pruned to eliminate duplicates Z: 16 8.534 1.954 0.591 0.243 0.733 0.533 CA 1.301 16 residues pruned to eliminate duplicates Z: 69 25.563 1.901 0.442 0.360 0.926 0.515 CB 1.420 69 residues pruned to eliminate duplicates Z: 41 17.550 1.937 0.398 0.290 0.900 0.450 CB 1.441 41 residues pruned to eliminate duplicates Z: 22 12.678 1.901 0.535 0.386 0.857 0.381 CA 1.249 24 residues pruned to eliminate duplicates Z: 6 4.721 1.765 0.922 0.402 1.000 0.800 CA 0.690 6 residues pruned to eliminate duplicates Z: 16 11.889 2.076 0.450 0.407 0.733 0.467 CB 1.533 16 residues pruned to eliminate duplicates Z: 7 3.630 1.661 0.402 0.374 0.667 0.667 CA 1.091 7 residues pruned to eliminate duplicates Z: 14 8.653 2.034 0.391 0.359 0.692 0.385 CB 1.426 14 residues pruned to eliminate duplicates Z: 15 11.266 2.026 0.367 0.436 0.786 0.500 CB 1.478 15 residues pruned to eliminate duplicates Z: 15 11.300 2.102 0.384 0.384 0.714 0.500 CB 1.644 16 residues pruned to eliminate duplicates Z: 6 6.507 1.826 0.794 0.434 1.000 0.800 CB 0.951 6 residues pruned to eliminate duplicates Z: 16 13.949 2.091 0.427 0.404 0.867 0.400 CA 1.540 15 residues pruned to eliminate duplicates Z: 8 5.140 1.684 0.467 0.463 1.000 0.571 CB 0.817 8 residues pruned to eliminate duplicates Z: 22 12.622 2.079 0.295 0.304 0.762 0.381 CB 1.671 23 residues pruned to eliminate duplicates Z: 21 9.262 2.021 0.262 0.285 0.700 0.350 CB 1.477 21 residues pruned to eliminate duplicates Z: 20 9.105 2.079 0.220 0.240 0.684 0.316 CB 1.625 20 residues pruned to eliminate duplicates Z: 22 10.963 2.026 0.258 0.324 0.714 0.381 CB 1.595 22 residues pruned to eliminate duplicates Z: 34 17.804 2.013 0.356 0.368 0.879 0.394 CB 1.489 34 residues pruned to eliminate duplicates Z: 24 8.230 1.963 0.345 0.274 0.609 0.304 CB 1.379 24 residues pruned to eliminate duplicates Z: 12 3.626 1.733 0.226 0.156 0.545 0.182 C 1.438 12 residues pruned to eliminate duplicates Z: 31 26.497 2.086 0.545 0.567 0.833 0.600 CB 1.688 31 residues pruned to eliminate duplicates Z: 32 25.502 2.052 0.494 0.550 0.871 0.581 CB 1.633 32 residues pruned to eliminate duplicates Z: 33 29.147 2.102 0.463 0.581 0.906 0.531 CA 1.711 33 residues pruned to eliminate duplicates Z: 40 22.681 2.126 0.354 0.426 0.795 0.564 CB 1.714 40 residues pruned to eliminate duplicates Z: 34 22.531 2.033 0.357 0.552 0.848 0.576 CB 1.593 34 residues pruned to eliminate duplicates Z: 55 28.355 2.070 0.460 0.467 0.815 0.611 CB 1.620 55 residues pruned to eliminate duplicates Z: 26 28.865 2.028 0.508 0.717 0.920 0.840 CA 1.687 26 residues pruned to eliminate duplicates Z: 22 20.954 2.090 0.298 0.644 0.905 0.714 CA 1.628 22 residues pruned to eliminate duplicates Z: 21 23.365 2.117 0.411 0.682 0.900 0.750 CB 1.644 21 residues pruned to eliminate duplicates Z: 24 21.818 2.075 0.246 0.676 0.913 0.609 CB 1.638 24 residues pruned to eliminate duplicates Z: 23 27.671 2.118 0.492 0.688 0.955 0.636 CB 1.647 23 residues pruned to eliminate duplicates Z: 45 23.101 2.074 0.446 0.455 0.750 0.500 CB 1.622 45 residues pruned to eliminate duplicates Z: 28 24.713 2.000 0.519 0.643 0.852 0.556 CB 1.608 28 residues pruned to eliminate duplicates Z: 54 34.668 2.127 0.488 0.531 0.925 0.585 CB 1.578 54 residues pruned to eliminate duplicates Z: 21 23.775 2.131 0.418 0.709 0.900 0.750 CB 1.617 21 residues pruned to eliminate duplicates Z: 87 38.282 2.097 0.530 0.424 0.884 0.500 CB 1.576 87 residues pruned to eliminate duplicates Z: 19 19.043 2.145 0.495 0.656 0.778 0.556 CB 1.556 19 residues pruned to eliminate duplicates Z: 30 27.732 2.119 0.369 0.640 0.931 0.621 CB 1.673 30 residues pruned to eliminate duplicates Z: 21 18.087 2.084 0.543 0.610 0.800 0.500 CB 1.417 21 residues pruned to eliminate duplicates Z: 22 21.857 2.068 0.402 0.651 0.905 0.571 CB 1.579 22 residues pruned to eliminate duplicates Z: 20 24.592 2.161 0.479 0.670 0.947 0.474 CB 1.593 20 residues pruned to eliminate duplicates Z: 21 22.031 2.134 0.443 0.684 0.850 0.500 CB 1.589 21 residues pruned to eliminate duplicates Z: 31 29.951 2.092 0.590 0.615 0.833 0.567 CB 1.770 31 residues pruned to eliminate duplicates Z: 22 21.925 2.040 0.495 0.646 0.905 0.381 CB 1.512 22 residues pruned to eliminate duplicates Z: 53 26.174 2.048 0.475 0.453 0.808 0.481 CB 1.562 53 residues pruned to eliminate duplicates Z: 36 23.682 1.968 0.541 0.519 0.800 0.371 CB 1.620 36 residues pruned to eliminate duplicates Z: 34 24.499 2.160 0.452 0.431 1.000 0.455 CB 1.462 34 residues pruned to eliminate duplicates Z: 24 24.867 2.086 0.578 0.615 0.913 0.478 CB 1.547 24 residues pruned to eliminate duplicates Z: 8 5.285 1.795 0.073 0.351 0.857 0.286 CA 1.421 8 residues pruned to eliminate duplicates Z: 8 8.313 1.867 0.166 0.559 1.000 0.571 CA 1.363 8 residues pruned to eliminate duplicates Z: 8 5.021 1.661 0.320 0.529 0.714 0.714 C 1.178 8 residues pruned to eliminate duplicates Z: 29 20.890 2.195 0.419 0.366 0.893 0.429 CB 1.639 29 residues pruned to eliminate duplicates Z: 28 21.580 2.200 0.543 0.376 0.926 0.556 CB 1.508 28 residues pruned to eliminate duplicates Z: 35 28.115 2.137 0.593 0.454 0.941 0.441 CB 1.578 35 residues pruned to eliminate duplicates Z: 32 20.658 2.089 0.606 0.370 0.871 0.452 CB 1.459 32 residues pruned to eliminate duplicates Z: 28 27.050 2.147 0.628 0.446 0.963 0.630 CB 1.635 28 residues pruned to eliminate duplicates Z: 33 25.443 2.173 0.548 0.484 0.906 0.531 CB 1.498 33 residues pruned to eliminate duplicates Z: 34 25.364 2.155 0.520 0.459 0.939 0.485 CB 1.496 34 residues pruned to eliminate duplicates Z: 14 9.693 2.098 0.578 0.257 0.846 0.462 CB 1.268 14 residues pruned to eliminate duplicates Z: 32 24.128 2.192 0.550 0.435 0.903 0.484 CB 1.511 32 residues pruned to eliminate duplicates Z: 33 25.201 2.169 0.568 0.446 0.906 0.656 CB 1.529 33 residues pruned to eliminate duplicates Z: 36 25.928 2.100 0.536 0.506 0.914 0.600 CB 1.478 36 residues pruned to eliminate duplicates Z: 33 20.119 2.103 0.596 0.345 0.875 0.469 CB 1.433 33 residues pruned to eliminate duplicates Z: 30 21.375 2.138 0.611 0.393 0.862 0.517 CB 1.496 30 residues pruned to eliminate duplicates Z: 20 19.990 2.213 0.455 0.539 0.895 0.684 CB 1.532 20 residues pruned to eliminate duplicates Z: 32 25.957 2.190 0.533 0.459 0.935 0.452 CB 1.548 32 residues pruned to eliminate duplicates Z: 31 20.913 2.141 0.531 0.360 0.867 0.533 CB 1.563 31 residues pruned to eliminate duplicates Z: 31 23.989 2.150 0.583 0.430 0.900 0.567 CB 1.537 31 residues pruned to eliminate duplicates Z: 41 25.081 2.117 0.553 0.425 0.900 0.500 CB 1.448 41 residues pruned to eliminate duplicates Z: 7 6.290 1.526 0.806 0.500 0.833 0.833 CB 1.118 7 residues pruned to eliminate duplicates Z: 33 26.357 2.148 0.614 0.435 0.969 0.531 CB 1.484 33 residues pruned to eliminate duplicates Z: 33 27.525 2.180 0.654 0.419 0.938 0.500 CB 1.566 33 residues pruned to eliminate duplicates Z: 20 23.106 2.214 0.604 0.503 0.947 0.684 CB 1.570 20 residues pruned to eliminate duplicates Z: 9 14.603 1.868 0.761 0.798 0.875 0.375 CA 1.382 9 residues pruned to eliminate duplicates Z: 11 23.767 2.155 0.807 0.739 1.000 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 22 16.712 2.104 0.598 0.449 0.762 0.524 CB 1.501 22 residues pruned to eliminate duplicates Z: 13 20.766 2.108 0.781 0.687 0.917 0.750 CB 1.467 13 residues pruned to eliminate duplicates Z: 14 20.538 2.096 0.784 0.598 1.000 0.538 CB 1.388 14 residues pruned to eliminate duplicates Z: 28 16.121 2.087 0.445 0.323 0.852 0.481 CA 1.467 28 residues pruned to eliminate duplicates Z: 6 2.629 1.215 0.242 0.469 1.000 0.400 N 0.804 6 residues pruned to eliminate duplicates Z: 31 12.777 1.964 0.364 0.300 0.767 0.500 CB 1.420 31 residues pruned to eliminate duplicates Z: 13 6.547 1.863 0.519 0.130 0.833 0.500 CA 1.272 13 residues pruned to eliminate duplicates Z: 8 4.895 1.946 0.468 0.217 0.714 0.429 CB 1.264 8 residues pruned to eliminate duplicates Z: 10 5.329 2.061 0.293 0.255 0.778 0.667 CB 1.135 10 residues pruned to eliminate duplicates 6 1.803 1.936 0.156 0.298 0.600 0.200 CB 0.753 ? Z: 9 6.665 1.499 0.489 0.561 0.875 0.625 N 1.137 9 residues pruned to eliminate duplicates Z: 29 14.209 1.945 0.296 0.393 0.821 0.464 CA 1.452 29 residues pruned to eliminate duplicates Z: 28 12.137 2.038 0.333 0.338 0.815 0.481 CB 1.259 28 residues pruned to eliminate duplicates Z: 26 12.909 2.103 0.301 0.339 0.760 0.480 CA 1.481 26 residues pruned to eliminate duplicates Z: 24 11.621 1.957 0.272 0.391 0.826 0.478 CB 1.322 24 residues pruned to eliminate duplicates Z: 18 12.538 2.079 0.285 0.400 0.824 0.412 CB 1.536 18 residues pruned to eliminate duplicates Z: 27 16.991 2.031 0.591 0.349 0.923 0.538 CB 1.316 28 residues pruned to eliminate duplicates Z: 7 3.597 1.740 0.274 0.282 0.667 0.333 CA 1.270 7 residues pruned to eliminate duplicates Z: 19 11.699 2.002 0.319 0.436 0.833 0.500 CB 1.339 19 residues pruned to eliminate duplicates Z: 21 14.674 1.887 0.566 0.465 0.850 0.600 CB 1.354 21 residues pruned to eliminate duplicates Z: 20 12.337 1.933 0.400 0.452 0.789 0.632 CB 1.391 20 residues pruned to eliminate duplicates Z: 22 15.327 1.903 0.460 0.475 0.952 0.667 CB 1.296 22 residues pruned to eliminate duplicates Z: 31 12.588 1.883 0.455 0.346 0.733 0.500 CB 1.353 31 residues pruned to eliminate duplicates Z: 20 13.690 1.995 0.437 0.461 0.842 0.579 CB 1.354 20 residues pruned to eliminate duplicates Z: 18 9.882 1.854 0.389 0.364 0.882 0.647 CB 1.221 18 residues pruned to eliminate duplicates Z: 20 15.658 1.966 0.627 0.488 0.842 0.579 CB 1.350 20 residues pruned to eliminate duplicates Z: 50 17.262 1.961 0.576 0.336 0.735 0.510 CB 1.300 50 residues pruned to eliminate duplicates Z: 19 12.564 1.875 0.474 0.452 0.778 0.611 CB 1.446 19 residues pruned to eliminate duplicates Z: 29 12.380 1.914 0.301 0.403 0.750 0.536 CB 1.387 29 residues pruned to eliminate duplicates Z: 25 14.557 1.859 0.388 0.453 0.958 0.542 CB 1.261 25 residues pruned to eliminate duplicates Z: 10 9.646 1.869 0.469 0.504 1.000 0.444 CA 1.167 10 residues pruned to eliminate duplicates Z: 20 12.713 1.905 0.426 0.460 0.895 0.526 CB 1.250 20 residues pruned to eliminate duplicates Z: 23 11.697 1.884 0.442 0.415 0.818 0.500 CB 1.226 23 residues pruned to eliminate duplicates Z: 32 14.277 1.847 0.503 0.394 0.806 0.516 CB 1.281 32 residues pruned to eliminate duplicates Z: 22 13.272 1.880 0.482 0.437 0.905 0.476 CB 1.227 22 residues pruned to eliminate duplicates Z: 6 5.181 1.821 0.605 0.395 1.000 0.600 CB 0.886 6 residues pruned to eliminate duplicates Z: 26 13.572 1.974 0.435 0.372 0.880 0.600 CB 1.248 26 residues pruned to eliminate duplicates Z: 29 18.899 1.999 0.423 0.501 0.929 0.571 CB 1.351 29 residues pruned to eliminate duplicates Z: 17 14.443 2.009 0.388 0.464 0.875 0.688 CB 1.534 17 residues pruned to eliminate duplicates Z: 32 15.931 1.994 0.480 0.392 0.871 0.484 CB 1.248 32 residues pruned to eliminate duplicates Z: 20 11.959 1.963 0.503 0.402 0.737 0.526 CB 1.399 20 residues pruned to eliminate duplicates Z: 17 16.054 2.086 0.456 0.514 0.875 0.750 CB 1.488 17 residues pruned to eliminate duplicates Z: 20 13.118 1.952 0.392 0.414 0.842 0.684 CB 1.440 20 residues pruned to eliminate duplicates Z: 34 18.205 1.992 0.450 0.425 0.848 0.636 CB 1.398 34 residues pruned to eliminate duplicates Z: 20 16.285 2.066 0.454 0.407 0.947 0.684 CB 1.447 20 residues pruned to eliminate duplicates Z: 27 13.837 1.893 0.552 0.338 0.808 0.462 CB 1.364 27 residues pruned to eliminate duplicates Z: 26 13.428 1.969 0.481 0.355 0.840 0.520 CB 1.282 26 residues pruned to eliminate duplicates Z: 16 15.687 2.065 0.330 0.514 0.933 0.800 CB 1.559 16 residues pruned to eliminate duplicates Z: 129 46.182 2.047 0.597 0.496 0.867 0.602 CB 1.445 129 residues pruned to eliminate duplicates Z: 15 8.213 1.910 0.344 0.318 0.786 0.429 CB 1.330 15 residues pruned to eliminate duplicates Z: 14 13.587 2.022 0.595 0.393 0.846 0.462 CA 1.546 14 residues pruned to eliminate duplicates Z: 10 8.427 1.962 0.835 0.367 0.667 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 14 9.578 1.963 0.635 0.377 0.692 0.538 CA 1.363 14 residues pruned to eliminate duplicates Z: 11 12.828 2.010 0.765 0.384 0.900 0.600 CB 1.437 11 residues pruned to eliminate duplicates Z: 10 12.860 2.099 0.820 0.365 0.889 0.556 CB 1.459 10 residues pruned to eliminate duplicates Z: 14 13.006 1.971 0.687 0.411 0.846 0.615 CA 1.407 14 residues pruned to eliminate duplicates Z: 10 10.750 2.042 0.578 0.369 0.889 0.667 CB 1.439 10 residues pruned to eliminate duplicates Z: 81 43.385 2.103 0.647 0.532 0.925 0.588 CB 1.467 81 residues pruned to eliminate duplicates Z: 80 41.521 2.149 0.518 0.530 0.911 0.684 CB 1.524 80 residues pruned to eliminate duplicates Z: 101 38.366 2.048 0.553 0.488 0.890 0.580 CB 1.372 101 residues pruned to eliminate duplicates Z: 37 34.641 2.144 0.733 0.624 0.944 0.667 CA 1.464 37 residues pruned to eliminate duplicates Z: 44 45.290 2.206 0.705 0.719 0.977 0.814 CA 1.542 44 residues pruned to eliminate duplicates Z: 61 45.950 2.179 0.767 0.570 0.917 0.700 CA 1.570 61 residues pruned to eliminate duplicates Z: 42 37.023 2.147 0.604 0.648 0.951 0.732 CA 1.538 42 residues pruned to eliminate duplicates Z: 74 45.447 2.160 0.618 0.584 0.945 0.658 CB 1.486 74 residues pruned to eliminate duplicates Z: 32 36.305 2.194 0.794 0.678 0.935 0.677 CA 1.502 32 residues pruned to eliminate duplicates Z: 61 47.810 2.157 0.845 0.599 0.917 0.600 CA 1.540 61 residues pruned to eliminate duplicates Z: 73 50.400 2.160 0.774 0.591 0.958 0.597 CB 1.483 73 residues pruned to eliminate duplicates Z: 75 43.464 2.091 0.614 0.578 0.932 0.635 CB 1.490 75 residues pruned to eliminate duplicates Z: 73 46.280 2.156 0.649 0.604 0.917 0.611 CA 1.516 73 residues pruned to eliminate duplicates Z: 54 46.938 2.141 0.815 0.633 0.962 0.698 CB 1.522 54 residues pruned to eliminate duplicates Z: 32 39.164 2.207 0.733 0.723 0.968 0.774 CA 1.554 32 residues pruned to eliminate duplicates Z: 63 47.866 2.157 0.780 0.578 0.952 0.613 CA 1.543 63 residues pruned to eliminate duplicates Z: 28 42.780 2.248 0.785 0.767 1.000 0.815 CB 1.620 28 residues pruned to eliminate duplicates Z: 31 42.310 2.218 0.807 0.786 1.000 0.733 CA 1.499 31 residues pruned to eliminate duplicates Z: 38 34.053 2.164 0.701 0.647 0.892 0.622 CA 1.486 38 residues pruned to eliminate duplicates Z: 43 42.564 2.164 0.885 0.681 0.905 0.619 CB 1.506 43 residues pruned to eliminate duplicates Z: 53 40.154 2.134 0.726 0.632 0.904 0.577 CB 1.478 53 residues pruned to eliminate duplicates Z: 56 45.373 2.160 0.817 0.604 0.945 0.618 CB 1.493 56 residues pruned to eliminate duplicates Z: 50 41.432 2.170 0.757 0.573 0.918 0.490 CB 1.576 50 residues pruned to eliminate duplicates Z: 72 53.208 2.178 0.763 0.594 0.972 0.577 CA 1.546 72 residues pruned to eliminate duplicates Z: 67 50.387 2.191 0.841 0.585 0.955 0.561 CA 1.485 67 residues pruned to eliminate duplicates Z: 25 39.352 2.213 0.884 0.742 0.958 0.500 CB 1.619 25 residues pruned to eliminate duplicates Z: 75 48.626 2.140 0.805 0.599 0.892 0.608 CB 1.493 75 residues pruned to eliminate duplicates Z: 43 42.743 2.207 0.748 0.683 0.952 0.548 CA 1.519 43 residues pruned to eliminate duplicates Z: 43 41.015 2.182 0.809 0.672 0.905 0.548 CA 1.512 43 residues pruned to eliminate duplicates Z: 72 46.732 2.170 0.768 0.588 0.887 0.549 CA 1.497 72 residues pruned to eliminate duplicates Z: 62 51.214 2.189 0.764 0.593 0.967 0.525 CB 1.607 62 residues pruned to eliminate duplicates Z: 41 37.806 2.153 0.824 0.617 0.925 0.525 CB 1.473 41 residues pruned to eliminate duplicates Z: 66 48.940 2.196 0.713 0.578 0.969 0.538 CB 1.545 66 residues pruned to eliminate duplicates Z: 73 43.251 2.152 0.678 0.539 0.931 0.500 CB 1.460 73 residues pruned to eliminate duplicates Z: 77 42.095 2.105 0.687 0.562 0.895 0.539 CB 1.431 77 residues pruned to eliminate duplicates Z: 35 23.747 2.058 0.597 0.438 0.912 0.471 CB 1.449 35 residues pruned to eliminate duplicates Z: 45 40.231 2.163 0.686 0.679 0.932 0.545 CA 1.514 45 residues pruned to eliminate duplicates Z: 45 45.001 2.171 0.835 0.697 0.955 0.545 CB 1.491 45 residues pruned to eliminate duplicates Z: 14 18.235 1.970 0.682 0.694 1.000 0.462 CA 1.279 14 residues pruned to eliminate duplicates Z: 35 28.675 2.171 0.721 0.459 0.971 0.559 CB 1.415 35 residues pruned to eliminate duplicates Z: 80 51.480 2.164 0.774 0.587 0.949 0.481 CB 1.462 80 residues pruned to eliminate duplicates Z: 75 48.500 2.123 0.714 0.573 0.959 0.473 CB 1.505 75 residues pruned to eliminate duplicates Z: 72 38.845 2.124 0.712 0.537 0.873 0.394 CB 1.399 72 residues pruned to eliminate duplicates Z: 70 44.532 2.174 0.673 0.554 0.928 0.580 CB 1.508 70 residues pruned to eliminate duplicates Z: 81 45.485 2.125 0.658 0.570 0.925 0.525 CB 1.458 82 residues pruned to eliminate duplicates Z: 16 12.946 2.052 0.637 0.686 0.800 0.333 CB 1.049 16 residues pruned to eliminate duplicates Z: 20 14.927 2.047 0.490 0.398 0.947 0.421 CB 1.320 20 residues pruned to eliminate duplicates Z: 15 11.718 2.266 0.478 0.358 0.857 0.357 CB 1.272 15 residues pruned to eliminate duplicates Z: 66 43.458 2.189 0.677 0.565 0.923 0.400 CB 1.493 66 residues pruned to eliminate duplicates Z: 73 52.890 2.200 0.783 0.607 0.931 0.556 CB 1.544 73 residues pruned to eliminate duplicates Z: 33 30.276 2.175 0.826 0.469 0.938 0.469 CB 1.484 33 residues pruned to eliminate duplicates Z: 57 42.911 2.202 0.659 0.595 0.964 0.536 CA 1.486 57 residues pruned to eliminate duplicates Z: 73 55.258 2.192 0.813 0.604 0.958 0.556 CB 1.550 73 residues pruned to eliminate duplicates Z: 18 18.117 2.214 0.745 0.327 0.882 0.412 CB 1.559 18 residues pruned to eliminate duplicates Z: 69 49.048 2.185 0.768 0.567 0.971 0.544 CB 1.487 69 residues pruned to eliminate duplicates Z: 22 24.502 2.115 0.747 0.525 0.952 0.476 CB 1.482 21 residues pruned to eliminate duplicates Z: 6 2.925 1.918 0.467 0.227 0.800 0.600 CB 0.799 Z: 6 6.168 1.686 0.709 0.379 0.800 0.600 C 1.362 6 residues pruned to eliminate duplicates Z: 71 51.394 2.184 0.791 0.617 0.900 0.529 CB 1.563 71 residues pruned to eliminate duplicates Z: 73 50.212 2.165 0.773 0.597 0.931 0.569 CB 1.510 73 residues pruned to eliminate duplicates Z: 81 49.367 2.164 0.728 0.563 0.938 0.575 CA 1.481 81 residues pruned to eliminate duplicates Z: 25 19.460 2.155 0.865 0.296 0.875 0.375 CB 1.418 25 residues pruned to eliminate duplicates Z: 84 44.483 2.159 0.664 0.532 0.892 0.470 CB 1.477 84 residues pruned to eliminate duplicates Z: 22 23.413 2.097 0.848 0.472 0.952 0.381 CB 1.424 28 residues pruned to eliminate duplicates Z: 10 14.491 1.722 0.726 0.838 1.000 0.778 CA 1.214 10 residues pruned to eliminate duplicates Z: 98 51.794 2.138 0.712 0.547 0.928 0.557 CB 1.479 98 residues pruned to eliminate duplicates Z: 17 24.256 2.122 0.752 0.587 0.938 0.500 CA 1.601 17 residues pruned to eliminate duplicates Z: 31 29.365 2.161 0.823 0.469 0.933 0.567 CB 1.505 31 residues pruned to eliminate duplicates Z: 8 19.128 2.005 0.829 0.805 1.000 0.571 CB 1.510 9 residues pruned to eliminate duplicates Z: 10 16.743 1.871 0.790 0.798 1.000 0.333 CA 1.283 10 residues pruned to eliminate duplicates Z: 75 55.807 2.177 0.861 0.586 0.973 0.473 CB 1.515 75 residues pruned to eliminate duplicates Z: 16 12.619 1.791 0.496 0.437 0.867 0.333 CA 1.498 16 residues pruned to eliminate duplicates Z: 20 12.958 1.885 0.511 0.431 0.842 0.526 CB 1.332 20 residues pruned to eliminate duplicates Z: 32 21.383 1.891 0.570 0.498 0.903 0.452 CA 1.435 31 residues pruned to eliminate duplicates Z: 6 2.501 1.200 0.341 0.436 0.800 0.200 CB 0.928 6 residues pruned to eliminate duplicates Z: 15 13.238 1.862 0.512 0.500 0.929 0.357 CA 1.353 15 residues pruned to eliminate duplicates Z: 18 12.651 1.899 0.482 0.464 0.882 0.529 CB 1.282 18 residues pruned to eliminate duplicates Z: 20 13.031 1.880 0.398 0.439 0.842 0.526 CB 1.439 20 residues pruned to eliminate duplicates Z: 22 9.235 1.830 0.266 0.413 0.810 0.476 CB 1.177 22 residues pruned to eliminate duplicates Z: 34 17.688 1.887 0.392 0.450 0.879 0.576 CA 1.403 34 residues pruned to eliminate duplicates Z: 17 12.052 1.918 0.281 0.503 0.812 0.562 CB 1.504 17 residues pruned to eliminate duplicates Z: 30 18.954 1.933 0.401 0.486 0.931 0.724 CB 1.417 30 residues pruned to eliminate duplicates Z: 31 20.835 1.923 0.485 0.512 0.933 0.633 CB 1.410 31 residues pruned to eliminate duplicates Z: 6 3.078 1.611 0.183 0.474 0.800 0.400 CA 0.927 6 residues pruned to eliminate duplicates Z: 13 6.898 1.845 0.263 0.480 0.667 0.500 CA 1.308 13 residues pruned to eliminate duplicates Z: 14 10.994 1.883 0.450 0.494 0.769 0.462 CA 1.460 14 residues pruned to eliminate duplicates Z: 18 13.986 1.934 0.379 0.520 0.941 0.647 CB 1.326 18 residues pruned to eliminate duplicates Z: 14 13.027 1.930 0.529 0.484 0.846 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 9 7.682 1.810 0.748 0.281 0.875 0.625 CB 1.257 9 residues pruned to eliminate duplicates Z: 7 3.187 1.597 0.038 0.371 0.833 0.500 N 1.082 7 residues pruned to eliminate duplicates Z: 9 9.150 1.954 0.396 0.274 1.000 0.625 CA 1.532 10 residues pruned to eliminate duplicates Z: 6 2.508 1.488 0.559 0.464 0.800 0.400 CA 0.627 6 residues pruned to eliminate duplicates Z: 20 10.926 1.834 0.596 0.290 0.789 0.421 CA 1.373 18 residues pruned to eliminate duplicates Z: 6 9.012 1.907 0.730 0.390 1.000 0.800 CA 1.372 8 residues pruned to eliminate duplicates Z: 6 4.908 1.589 1.204 0.381 1.000 0.400 CA 0.711 6 residues pruned to eliminate duplicates Z: 13 15.463 2.026 1.105 0.434 0.833 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 22 13.922 1.870 0.718 0.343 0.905 0.714 CB 1.239 22 residues pruned to eliminate duplicates Z: 19 18.778 1.812 0.827 0.386 1.000 0.667 CB 1.509 49 residues pruned to eliminate duplicates Z: 14 16.428 1.999 0.964 0.485 0.846 0.692 CB 1.393 Z: 6 6.746 1.504 0.754 0.456 1.000 0.800 C 1.196 3 residues pruned to eliminate duplicates Z: 6 4.385 1.272 0.885 0.375 1.000 0.800 N 0.935 Z: 6 5.017 1.310 0.894 0.463 1.000 0.600 N 0.940 6 residues pruned to eliminate duplicates Z: 6 2.377 1.278 1.066 0.155 0.800 0.400 N 0.768 Z: 9 12.883 1.889 0.407 0.864 1.000 0.875 CA 1.256 9 residues pruned to eliminate duplicates Z: 63 35.149 1.997 0.632 0.548 0.935 0.532 CA 1.396 63 residues pruned to eliminate duplicates Z: 62 33.975 1.988 0.675 0.503 0.951 0.607 CA 1.370 62 residues pruned to eliminate duplicates Z: 22 19.442 1.990 0.534 0.550 1.000 0.714 CA 1.324 22 residues pruned to eliminate duplicates Z: 15 18.729 1.964 0.414 0.740 1.000 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 14 16.845 2.045 0.597 0.654 0.846 0.538 CB 1.465 14 residues pruned to eliminate duplicates Z: 53 33.337 1.956 0.695 0.656 0.923 0.596 CB 1.307 24 residues pruned to eliminate duplicates Z: 11 14.974 1.863 0.740 0.774 1.000 0.500 CB 1.146 11 residues pruned to eliminate duplicates Z: 63 37.791 2.003 0.766 0.562 0.952 0.645 CA 1.343 14 residues pruned to eliminate duplicates Z: 6 6.552 1.562 1.296 0.350 0.800 0.600 CB 1.201 6 residues pruned to eliminate duplicates Z: 16 19.884 1.913 0.859 0.670 1.000 0.667 CA 1.234 16 residues pruned to eliminate duplicates Z: 16 19.230 1.941 0.615 0.689 1.000 0.400 CA 1.332 16 residues pruned to eliminate duplicates Z: 15 10.347 2.030 0.343 0.306 1.000 0.500 CA 1.258 15 residues pruned to eliminate duplicates Z: 55 35.074 2.039 0.614 0.598 0.944 0.667 CA 1.399 55 residues pruned to eliminate duplicates Z: 59 32.197 1.990 0.709 0.519 0.862 0.569 CA 1.416 59 residues pruned to eliminate duplicates Z: 39 30.238 2.114 0.643 0.493 0.947 0.579 CA 1.502 39 residues pruned to eliminate duplicates Z: 31 26.268 2.008 0.615 0.539 1.000 0.600 CA 1.423 31 residues pruned to eliminate duplicates Z: 53 35.911 2.070 0.617 0.553 0.962 0.596 CA 1.469 53 residues pruned to eliminate duplicates Z: 47 29.374 2.037 0.780 0.451 0.935 0.630 CA 1.344 47 residues pruned to eliminate duplicates Z: 43 25.071 2.010 0.726 0.397 0.929 0.571 CA 1.338 43 residues pruned to eliminate duplicates Z: 34 25.663 2.068 0.708 0.498 0.909 0.667 CA 1.394 23 residues pruned to eliminate duplicates Z: 6 5.835 1.456 1.566 0.275 0.800 0.200 C 1.127 6 residues pruned to eliminate duplicates Z: 13 14.587 2.129 0.544 0.457 0.833 0.500 CA 1.605 12 residues pruned to eliminate duplicates Z: 7 7.362 1.541 0.977 0.447 1.000 0.833 N 1.042 7 residues pruned to eliminate duplicates Z: 32 22.096 2.007 0.535 0.460 0.903 0.419 CA 1.485 32 residues pruned to eliminate duplicates Z: 45 22.676 1.974 0.741 0.437 0.886 0.591 CA 1.197 45 residues pruned to eliminate duplicates Z: 66 35.667 1.973 0.631 0.566 0.892 0.646 CA 1.445 66 residues pruned to eliminate duplicates Z: 66 40.792 1.973 0.745 0.593 0.954 0.646 CA 1.409 66 residues pruned to eliminate duplicates Z: 48 28.234 2.047 0.532 0.528 0.894 0.617 CA 1.430 48 residues pruned to eliminate duplicates Z: 35 27.273 2.055 0.739 0.487 0.912 0.618 CA 1.455 35 residues pruned to eliminate duplicates Z: 9 9.539 1.916 0.482 0.549 0.875 0.500 CA 1.294 9 residues pruned to eliminate duplicates Z: 41 33.788 2.018 0.700 0.643 0.925 0.425 CA 1.473 41 residues pruned to eliminate duplicates Z: 23 21.064 2.001 0.539 0.572 1.000 0.636 CA 1.360 23 residues pruned to eliminate duplicates Z: 26 21.157 2.009 0.452 0.650 0.920 0.760 CA 1.371 26 residues pruned to eliminate duplicates Z: 18 13.050 1.948 0.516 0.473 0.882 0.824 CA 1.248 18 residues pruned to eliminate duplicates Z: 24 32.823 2.089 0.816 0.787 1.000 0.913 CA 1.402 24 residues pruned to eliminate duplicates Z: 53 29.276 2.009 0.654 0.484 0.904 0.596 CA 1.374 53 residues pruned to eliminate duplicates Z: 51 36.867 2.044 0.734 0.520 0.980 0.600 CA 1.471 51 residues pruned to eliminate duplicates Z: 47 28.211 1.990 0.664 0.488 0.957 0.587 CA 1.329 47 residues pruned to eliminate duplicates Z: 25 24.131 1.991 0.720 0.557 0.917 0.625 CB 1.485 25 residues pruned to eliminate duplicates Z: 39 28.188 1.927 0.718 0.585 0.921 0.632 CA 1.382 39 residues pruned to eliminate duplicates Z: 21 28.745 1.977 0.651 0.894 1.000 0.650 CA 1.412 21 residues pruned to eliminate duplicates Z: 32 25.729 1.983 0.612 0.543 0.935 0.645 CA 1.482 32 residues pruned to eliminate duplicates Z: 37 26.456 1.988 0.581 0.594 0.917 0.556 CB 1.399 37 residues pruned to eliminate duplicates Z: 25 20.197 1.951 0.582 0.549 0.917 0.625 CB 1.388 25 residues pruned to eliminate duplicates Z: 63 39.459 2.057 0.698 0.560 0.919 0.516 CA 1.472 63 residues pruned to eliminate duplicates Z: 35 32.639 2.029 0.750 0.651 0.941 0.588 CB 1.455 35 residues pruned to eliminate duplicates Z: 51 35.710 1.966 0.708 0.679 0.960 0.660 CB 1.329 51 residues pruned to eliminate duplicates Z: 35 33.555 2.018 0.834 0.638 0.941 0.647 CA 1.451 35 residues pruned to eliminate duplicates Z: 36 32.563 1.974 0.815 0.643 0.914 0.629 CA 1.470 36 residues pruned to eliminate duplicates Z: 32 30.044 2.022 0.757 0.685 0.935 0.645 CB 1.370 32 residues pruned to eliminate duplicates Z: 35 29.906 2.014 0.709 0.631 0.912 0.618 CA 1.446 35 residues pruned to eliminate duplicates Z: 49 31.777 1.970 0.604 0.690 0.917 0.688 CB 1.330 49 residues pruned to eliminate duplicates Z: 37 29.029 1.971 0.652 0.613 0.917 0.556 CB 1.457 37 residues pruned to eliminate duplicates Z: 33 32.648 2.000 0.717 0.700 0.969 0.531 CB 1.446 33 residues pruned to eliminate duplicates Z: 38 29.362 1.967 0.780 0.613 0.919 0.514 CB 1.348 38 residues pruned to eliminate duplicates Z: 45 33.821 1.950 0.681 0.715 0.955 0.659 CB 1.341 45 residues pruned to eliminate duplicates Z: 36 28.000 1.942 0.739 0.656 0.943 0.571 CB 1.286 36 residues pruned to eliminate duplicates Z: 41 30.925 1.876 0.750 0.615 0.975 0.475 CB 1.371 41 residues pruned to eliminate duplicates Z: 9 5.976 1.606 0.822 0.162 0.875 0.375 CA 1.247 9 residues pruned to eliminate duplicates 699 residues left after pruning, divided into chains as follows: A: 15 B: 8 C: 12 D: 26 E: 18 F: 10 G: 31 H: 36 I: 108 J: 142 K: 144 L: 28 M: 18 N: 13 O: 6 P: 63 Q: 21 CC for partial structure against native data = 25.81 % ------------------------------------------------------------------------------ Global autotracing cycle 16 = 0.300, Contrast = 0.386, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.709 for dens.mod. cycle 2 = 0.300, Contrast = 0.521, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.538, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.544, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.549, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.552, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.555, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.557, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6640 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1269 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 12.503 2.009 0.211 0.443 0.882 0.471 CB 1.499 B: 27 17.356 2.164 0.659 0.342 0.769 0.577 CB 1.464 C: 10 13.473 2.052 0.619 0.811 0.889 0.556 CB 1.161 D: 32 12.096 1.961 0.379 0.261 0.774 0.419 CA 1.364 E: 7 7.044 1.610 0.524 0.820 0.833 0.667 CB 1.065 7 residues pruned to eliminate duplicates F: 21 40.693 2.257 0.873 0.924 0.950 0.450 CB 1.591 G: 16 16.502 2.214 0.139 0.896 0.933 0.800 CB 1.297 H: 11 15.843 2.094 0.481 0.883 0.900 0.800 CB 1.297 I: 20 40.628 2.259 0.761 0.942 1.000 0.947 CB 1.625 20 residues pruned to eliminate duplicates J: 18 19.465 2.000 0.495 0.803 0.882 0.588 CA 1.373 K: 69 44.048 2.148 0.719 0.560 0.912 0.456 CB 1.497 21 residues pruned to eliminate duplicates L: 10 10.686 1.605 0.452 0.883 1.000 0.778 CA 1.105 9 residues pruned to eliminate duplicates M: 18 23.568 2.096 0.481 0.838 0.941 0.706 CA 1.463 18 residues pruned to eliminate duplicates N: 16 25.581 2.100 0.600 0.881 1.000 0.533 CA 1.423 17 residues pruned to eliminate duplicates O: 12 11.845 1.948 0.325 0.486 1.000 0.364 CA 1.403 P: 21 24.749 1.992 0.414 0.920 0.900 0.800 CB 1.537 10 residues pruned to eliminate duplicates Q: 13 18.953 1.946 0.563 0.814 1.000 0.750 CA 1.368 11 residues pruned to eliminate duplicates R: 8 10.742 1.690 0.639 0.902 1.000 1.000 CA 1.045 8 residues pruned to eliminate duplicates S: 21 45.998 2.252 1.029 0.914 1.000 0.750 CA 1.592 21 residues pruned to eliminate duplicates T: 21 37.056 2.188 0.782 0.889 0.950 0.650 CB 1.610 21 residues pruned to eliminate duplicates U: 22 26.928 2.170 0.394 0.899 0.905 0.762 CB 1.535 22 residues pruned to eliminate duplicates V: 15 38.108 2.310 0.796 0.928 1.000 1.000 CA 1.718 15 residues pruned to eliminate duplicates W: 18 26.177 2.132 0.443 0.905 1.000 0.824 CA 1.468 17 residues pruned to eliminate duplicates X: 19 25.903 2.060 0.470 0.862 0.944 0.667 CA 1.568 19 residues pruned to eliminate duplicates Y: 20 38.197 2.254 0.892 0.890 0.947 0.474 CB 1.561 20 residues pruned to eliminate duplicates Z: 10 8.071 1.904 0.343 0.516 0.889 0.556 CB 1.166 Z: 13 22.248 1.860 0.793 0.848 1.000 0.833 CB 1.428 11 residues pruned to eliminate duplicates Z: 19 15.917 1.998 0.873 0.370 0.833 0.444 CB 1.384 19 residues pruned to eliminate duplicates Z: 12 4.375 1.538 0.560 0.169 0.727 0.273 C 1.130 Z: 7 14.221 2.093 0.246 0.838 1.000 0.667 CB 1.664 7 residues pruned to eliminate duplicates Z: 90 41.127 2.092 0.576 0.497 0.888 0.551 CB 1.494 31 residues pruned to eliminate duplicates Z: 21 33.860 2.164 0.612 0.928 1.000 0.950 CB 1.520 21 residues pruned to eliminate duplicates Z: 15 10.513 2.054 0.306 0.397 0.786 0.429 CA 1.486 Z: 37 22.299 2.097 0.591 0.458 0.833 0.472 CB 1.395 37 residues pruned to eliminate duplicates Z: 22 18.090 2.027 0.671 0.339 0.905 0.524 CA 1.535 Z: 23 18.473 2.110 0.497 0.487 0.909 0.636 CA 1.389 Z: 37 20.739 1.981 0.441 0.451 0.917 0.611 CB 1.388 23 residues pruned to eliminate duplicates Z: 25 18.787 2.025 0.534 0.381 0.875 0.500 CA 1.601 25 residues pruned to eliminate duplicates Z: 9 12.144 1.936 0.394 0.842 0.875 0.625 CA 1.354 9 residues pruned to eliminate duplicates Z: 20 36.339 2.241 0.621 0.880 1.000 0.684 CB 1.663 20 residues pruned to eliminate duplicates Z: 20 38.505 2.305 0.689 0.852 1.000 0.842 CB 1.678 20 residues pruned to eliminate duplicates Z: 9 7.543 1.837 0.413 0.329 0.875 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 8 15.771 1.948 0.391 0.816 1.000 0.714 CB 1.672 8 residues pruned to eliminate duplicates Z: 11 20.934 2.116 0.639 0.882 1.000 0.700 CB 1.381 11 residues pruned to eliminate duplicates Z: 57 35.695 2.090 0.648 0.525 0.893 0.554 CB 1.514 44 residues pruned to eliminate duplicates Z: 18 25.191 2.074 0.450 0.887 1.000 0.765 CB 1.464 20 residues pruned to eliminate duplicates Z: 11 4.829 1.650 0.277 0.267 0.900 0.800 CB 1.050 11 residues pruned to eliminate duplicates Z: 9 13.380 1.664 0.613 0.891 1.000 0.750 CA 1.267 9 residues pruned to eliminate duplicates Z: 10 13.026 1.901 0.290 0.842 0.889 0.667 N 1.484 10 residues pruned to eliminate duplicates Z: 31 16.469 1.880 0.386 0.421 1.000 0.633 CB 1.253 Z: 9 13.751 1.911 0.353 0.860 1.000 0.875 CA 1.383 9 residues pruned to eliminate duplicates Z: 22 41.630 2.170 0.891 0.898 1.000 0.524 CB 1.584 22 residues pruned to eliminate duplicates Z: 14 11.556 2.007 0.250 0.504 0.846 0.538 CA 1.504 13 residues pruned to eliminate duplicates Z: 9 16.047 2.148 0.879 0.761 1.000 0.750 CB 1.114 10 residues pruned to eliminate duplicates Z: 21 41.037 2.217 0.772 0.948 1.000 1.000 CB 1.613 21 residues pruned to eliminate duplicates Z: 21 11.563 2.013 0.508 0.264 0.750 0.450 CA 1.486 18 residues pruned to eliminate duplicates Z: 12 11.021 2.080 0.494 0.411 0.909 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 11 8.709 2.013 0.447 0.367 0.800 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 18 12.015 1.869 0.506 0.425 0.882 0.529 CB 1.269 Z: 14 10.956 1.877 0.738 0.416 0.846 0.615 CB 1.202 Z: 29 25.446 2.188 0.763 0.451 0.893 0.571 CB 1.468 27 residues pruned to eliminate duplicates Z: 10 9.459 1.821 0.384 0.755 0.778 0.778 CA 1.282 10 residues pruned to eliminate duplicates Z: 18 24.420 2.109 0.384 0.866 1.000 0.765 CB 1.485 18 residues pruned to eliminate duplicates Z: 10 8.876 2.008 0.545 0.342 0.778 0.556 CA 1.457 Z: 36 17.011 1.993 0.348 0.382 0.857 0.457 CA 1.416 16 residues pruned to eliminate duplicates Z: 16 16.247 2.157 0.143 0.859 0.933 0.800 CB 1.341 16 residues pruned to eliminate duplicates Z: 17 26.662 2.005 0.445 0.895 1.000 0.875 CB 1.650 16 residues pruned to eliminate duplicates Z: 11 15.561 2.103 0.405 0.790 0.900 0.700 CB 1.434 11 residues pruned to eliminate duplicates Z: 17 22.263 2.156 0.328 0.894 1.000 0.875 CB 1.395 17 residues pruned to eliminate duplicates Z: 21 50.496 2.273 1.066 0.927 1.000 0.700 CB 1.685 29 residues pruned to eliminate duplicates Z: 18 17.034 2.146 0.749 0.337 0.941 0.471 CB 1.397 18 residues pruned to eliminate duplicates Z: 7 9.700 2.061 0.341 0.805 0.833 0.667 CB 1.318 7 residues pruned to eliminate duplicates Z: 11 9.406 1.842 0.682 0.563 0.900 0.500 CB 1.004 11 residues pruned to eliminate duplicates Z: 16 6.296 1.806 0.210 0.295 0.867 0.400 CB 1.080 16 residues pruned to eliminate duplicates Z: 14 7.432 2.117 0.247 0.347 0.615 0.385 CB 1.499 14 residues pruned to eliminate duplicates Z: 18 14.400 1.840 0.383 0.471 0.941 0.647 CA 1.501 Z: 17 6.242 1.824 0.111 0.418 0.812 0.375 CB 1.032 17 residues pruned to eliminate duplicates Z: 68 36.301 2.060 0.545 0.525 0.866 0.552 CA 1.570 68 residues pruned to eliminate duplicates Z: 6 2.437 1.480 0.036 0.293 0.800 0.400 O 1.120 Z: 83 39.771 2.058 0.477 0.534 0.915 0.537 CB 1.529 83 residues pruned to eliminate duplicates Z: 19 25.012 1.954 0.645 0.928 1.000 0.944 CA 1.284 19 residues pruned to eliminate duplicates Z: 50 33.166 1.963 0.549 0.700 0.959 0.673 CB 1.355 32 residues pruned to eliminate duplicates Z: 11 19.768 2.111 0.687 0.899 1.000 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 15 13.463 1.730 0.728 0.486 0.929 0.571 CA 1.314 Z: 27 15.255 1.869 0.448 0.420 0.846 0.538 CB 1.420 9 residues pruned to eliminate duplicates Z: 22 18.375 2.100 0.706 0.419 0.810 0.476 CB 1.504 22 residues pruned to eliminate duplicates Z: 17 13.514 2.080 0.461 0.468 0.750 0.500 CA 1.531 16 residues pruned to eliminate duplicates Z: 20 23.247 2.220 0.853 0.405 0.947 0.684 CB 1.512 20 residues pruned to eliminate duplicates Z: 25 18.326 2.076 0.483 0.529 0.833 0.500 CB 1.418 25 residues pruned to eliminate duplicates Z: 15 12.759 2.211 0.483 0.312 0.857 0.643 CB 1.495 15 residues pruned to eliminate duplicates Z: 17 10.085 2.038 0.225 0.397 0.812 0.562 CB 1.386 18 residues pruned to eliminate duplicates Z: 7 8.418 2.013 0.890 0.496 1.000 0.667 CB 0.908 7 residues pruned to eliminate duplicates Z: 15 18.348 1.880 0.722 0.651 1.000 0.643 CB 1.317 15 residues pruned to eliminate duplicates Z: 18 19.949 2.139 0.370 0.834 0.882 0.706 CB 1.402 18 residues pruned to eliminate duplicates Z: 31 20.652 2.044 0.579 0.419 0.867 0.467 CB 1.468 24 residues pruned to eliminate duplicates Z: 13 16.095 1.993 0.496 0.487 1.000 0.583 CA 1.578 12 residues pruned to eliminate duplicates Z: 9 12.262 1.808 0.492 0.875 0.875 0.875 CA 1.335 9 residues pruned to eliminate duplicates Z: 11 12.953 1.881 0.447 0.785 0.900 0.700 CB 1.301 11 residues pruned to eliminate duplicates Z: 29 10.681 1.870 0.272 0.308 0.821 0.536 CB 1.278 29 residues pruned to eliminate duplicates Z: 12 16.524 1.750 0.609 0.915 1.000 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 18 20.606 1.938 0.603 0.827 0.941 0.647 CA 1.288 18 residues pruned to eliminate duplicates Z: 21 31.110 2.030 0.720 0.887 1.000 0.900 CB 1.436 21 residues pruned to eliminate duplicates Z: 14 20.371 2.110 0.483 0.859 0.923 0.462 CB 1.440 14 residues pruned to eliminate duplicates Z: 23 9.583 1.840 0.183 0.321 0.818 0.545 CB 1.398 Z: 8 2.931 1.554 0.054 0.326 0.714 0.286 C 1.146 8 residues pruned to eliminate duplicates Z: 14 5.953 1.898 0.246 0.319 0.769 0.615 CB 1.108 14 residues pruned to eliminate duplicates Z: 9 9.750 1.748 0.884 0.503 0.875 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 13 14.242 1.943 0.589 0.563 0.917 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 36 19.584 2.028 0.405 0.428 0.857 0.543 CB 1.460 36 residues pruned to eliminate duplicates Z: 21 47.276 2.222 1.039 0.933 1.000 0.600 CB 1.628 21 residues pruned to eliminate duplicates Z: 20 17.695 2.104 0.522 0.567 0.842 0.579 CB 1.411 20 residues pruned to eliminate duplicates Z: 30 18.822 2.124 0.666 0.328 0.862 0.517 CB 1.384 29 residues pruned to eliminate duplicates Z: 27 15.599 2.054 0.500 0.317 0.846 0.462 CB 1.436 31 residues pruned to eliminate duplicates Z: 29 25.122 2.040 0.537 0.581 0.893 0.679 CB 1.569 29 residues pruned to eliminate duplicates Z: 9 14.065 1.932 0.346 0.896 1.000 0.875 CA 1.370 10 residues pruned to eliminate duplicates Z: 34 25.200 2.142 0.510 0.495 0.939 0.485 CB 1.451 34 residues pruned to eliminate duplicates Z: 26 16.087 1.975 0.489 0.397 0.840 0.480 CA 1.451 26 residues pruned to eliminate duplicates Z: 19 13.584 1.929 0.619 0.520 0.889 0.667 CB 1.131 Z: 12 10.871 1.899 0.545 0.552 0.909 0.636 CA 1.169 9 residues pruned to eliminate duplicates Z: 24 14.583 1.976 0.497 0.434 0.826 0.478 CB 1.333 25 residues pruned to eliminate duplicates Z: 16 19.982 2.238 0.188 0.876 1.000 0.800 CB 1.410 16 residues pruned to eliminate duplicates Z: 12 16.875 2.049 0.574 0.892 0.818 0.364 CB 1.385 12 residues pruned to eliminate duplicates Z: 26 12.070 1.903 0.304 0.381 0.760 0.440 CA 1.453 26 residues pruned to eliminate duplicates Z: 20 10.605 1.782 0.520 0.450 0.895 0.579 CB 1.057 Z: 21 41.208 2.247 0.787 0.911 1.000 0.800 CB 1.626 21 residues pruned to eliminate duplicates Z: 11 10.285 1.664 0.556 0.461 1.000 0.600 CB 1.308 11 residues pruned to eliminate duplicates Z: 18 10.314 1.837 0.420 0.424 0.882 0.588 CA 1.177 18 residues pruned to eliminate duplicates Z: 43 29.685 2.095 0.669 0.539 0.857 0.548 CA 1.471 17 residues pruned to eliminate duplicates Z: 12 18.799 2.046 0.516 0.831 1.000 0.909 CB 1.374 12 residues pruned to eliminate duplicates Z: 25 16.949 2.038 0.460 0.492 0.875 0.542 CB 1.340 25 residues pruned to eliminate duplicates Z: 21 33.647 2.029 0.748 0.892 1.000 0.750 CB 1.524 18 residues pruned to eliminate duplicates Z: 11 10.515 1.901 0.613 0.555 0.900 0.500 CB 1.143 11 residues pruned to eliminate duplicates Z: 30 14.843 1.901 0.572 0.373 0.828 0.586 CB 1.277 32 residues pruned to eliminate duplicates Z: 17 17.704 1.960 0.300 0.880 0.938 0.688 CA 1.342 17 residues pruned to eliminate duplicates Z: 12 15.975 2.095 0.393 0.758 0.909 0.455 CB 1.444 12 residues pruned to eliminate duplicates Z: 29 21.683 2.121 0.557 0.411 0.929 0.571 CB 1.467 29 residues pruned to eliminate duplicates Z: 17 17.288 1.991 0.436 0.547 1.000 0.688 CB 1.443 17 residues pruned to eliminate duplicates Z: 51 35.057 2.065 0.470 0.650 0.960 0.560 CA 1.479 51 residues pruned to eliminate duplicates Z: 7 4.061 1.849 0.193 0.340 0.667 0.500 N 1.342 7 residues pruned to eliminate duplicates Z: 16 21.801 1.941 0.723 0.850 0.867 0.600 CA 1.438 16 residues pruned to eliminate duplicates Z: 12 6.773 1.653 0.636 0.454 0.727 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 13 4.331 1.698 0.295 0.364 0.667 0.333 CB 0.988 Z: 9 7.364 1.929 0.319 0.288 0.875 0.625 CA 1.484 Z: 21 45.046 2.257 0.888 0.925 1.000 0.800 CB 1.659 21 residues pruned to eliminate duplicates Z: 15 8.425 1.894 0.241 0.384 0.929 0.500 CB 1.167 15 residues pruned to eliminate duplicates Z: 24 14.496 2.039 0.244 0.534 0.870 0.609 CB 1.325 24 residues pruned to eliminate duplicates Z: 24 15.438 2.042 0.379 0.508 0.826 0.609 CA 1.373 24 residues pruned to eliminate duplicates Z: 40 21.150 2.020 0.414 0.428 0.872 0.487 CB 1.467 27 residues pruned to eliminate duplicates Z: 12 8.528 1.704 0.196 0.536 0.909 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 9 4.157 1.732 0.318 0.293 0.625 0.250 CA 1.299 10 residues pruned to eliminate duplicates Z: 20 13.461 1.930 0.252 0.403 1.000 0.474 CA 1.415 20 residues pruned to eliminate duplicates Z: 36 36.921 2.221 0.813 0.603 0.886 0.629 CA 1.585 29 residues pruned to eliminate duplicates Z: 29 14.116 1.900 0.189 0.466 0.893 0.607 CB 1.370 29 residues pruned to eliminate duplicates Z: 6 2.966 1.712 0.210 0.616 1.000 0.800 CB 0.573 6 residues pruned to eliminate duplicates Z: 39 16.801 1.908 0.367 0.377 0.816 0.500 CB 1.461 40 residues pruned to eliminate duplicates Z: 17 10.735 2.029 0.662 0.300 0.750 0.438 CA 1.326 17 residues pruned to eliminate duplicates Z: 84 38.330 2.038 0.509 0.538 0.904 0.518 CA 1.458 84 residues pruned to eliminate duplicates Z: 23 18.880 2.103 0.441 0.551 0.909 0.455 CA 1.390 23 residues pruned to eliminate duplicates Z: 31 14.281 1.816 0.513 0.401 0.867 0.500 CA 1.216 20 residues pruned to eliminate duplicates Z: 18 9.371 1.805 0.564 0.407 0.765 0.412 CA 1.162 18 residues pruned to eliminate duplicates Z: 17 11.439 1.829 0.414 0.430 0.812 0.500 N 1.462 7 residues pruned to eliminate duplicates Z: 35 28.580 2.111 0.572 0.535 0.941 0.588 CB 1.517 35 residues pruned to eliminate duplicates Z: 29 11.915 1.870 0.504 0.367 0.786 0.464 CB 1.176 29 residues pruned to eliminate duplicates Z: 25 17.679 2.126 0.715 0.264 0.875 0.458 CB 1.481 25 residues pruned to eliminate duplicates Z: 12 7.370 1.807 0.377 0.453 0.909 0.545 CB 1.031 12 residues pruned to eliminate duplicates 7 1.684 1.547 0.550 0.249 0.500 0.333 CA 0.765 ? Z: 17 9.622 1.858 0.112 0.359 0.938 0.500 CA 1.445 17 residues pruned to eliminate duplicates Z: 21 12.115 1.820 0.402 0.445 0.900 0.700 CB 1.248 21 residues pruned to eliminate duplicates Z: 30 16.551 2.106 0.600 0.309 0.828 0.379 CB 1.362 30 residues pruned to eliminate duplicates Z: 15 30.510 2.246 0.732 0.919 1.000 0.643 CB 1.478 21 residues pruned to eliminate duplicates Z: 10 10.756 1.824 0.597 0.755 1.000 0.778 N 0.981 Z: 27 11.931 1.898 0.410 0.330 0.769 0.500 CB 1.369 27 residues pruned to eliminate duplicates Z: 30 12.268 1.937 0.314 0.345 0.724 0.345 CB 1.462 30 residues pruned to eliminate duplicates Z: 23 19.346 2.074 0.476 0.526 0.955 0.727 CB 1.375 23 residues pruned to eliminate duplicates Z: 10 10.960 1.705 0.569 0.848 0.889 0.778 CA 1.140 11 residues pruned to eliminate duplicates Z: 88 38.730 2.044 0.395 0.541 0.920 0.598 CA 1.521 87 residues pruned to eliminate duplicates Z: 38 18.183 1.945 0.572 0.444 0.838 0.541 CB 1.236 37 residues pruned to eliminate duplicates Z: 22 41.617 2.198 0.807 0.928 1.000 0.524 CB 1.601 22 residues pruned to eliminate duplicates Z: 14 18.145 2.022 1.074 0.474 0.846 0.615 CB 1.455 14 residues pruned to eliminate duplicates Z: 10 13.634 1.930 0.335 0.868 1.000 0.889 CA 1.290 Z: 15 10.407 1.720 0.360 0.469 0.929 0.571 CB 1.322 15 residues pruned to eliminate duplicates Z: 36 18.793 2.010 0.363 0.453 0.914 0.571 CB 1.330 36 residues pruned to eliminate duplicates Z: 18 27.227 2.120 0.581 0.895 0.941 0.765 CA 1.500 18 residues pruned to eliminate duplicates Z: 10 8.786 1.678 0.401 0.799 0.889 0.889 CA 1.079 10 residues pruned to eliminate duplicates Z: 16 8.644 1.746 0.494 0.425 0.800 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 35 18.207 1.906 0.476 0.506 0.853 0.647 CA 1.294 46 residues pruned to eliminate duplicates Z: 38 15.178 1.790 0.384 0.455 0.865 0.541 CB 1.220 38 residues pruned to eliminate duplicates Z: 12 14.451 1.990 0.189 0.840 1.000 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 7 3.794 1.627 0.214 0.456 0.833 0.500 N 0.984 Z: 10 12.125 1.854 0.293 0.625 1.000 0.667 CA 1.499 10 residues pruned to eliminate duplicates Z: 74 36.536 2.058 0.464 0.552 0.877 0.589 CA 1.538 74 residues pruned to eliminate duplicates Z: 13 18.005 1.992 0.652 0.815 1.000 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 19 27.728 2.077 0.601 0.883 0.944 0.278 CA 1.505 19 residues pruned to eliminate duplicates Z: 21 40.779 2.248 0.881 0.914 0.950 0.600 CB 1.606 21 residues pruned to eliminate duplicates Z: 19 18.714 2.029 0.430 0.666 0.944 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 31 15.090 1.913 0.301 0.464 0.967 0.567 CB 1.189 29 residues pruned to eliminate duplicates Z: 28 15.844 1.992 0.544 0.468 0.815 0.630 CB 1.257 26 residues pruned to eliminate duplicates Z: 7 7.365 1.859 0.770 0.484 0.833 0.667 CB 1.113 Z: 34 23.913 2.142 0.504 0.423 0.939 0.515 CB 1.492 34 residues pruned to eliminate duplicates Z: 19 30.472 2.100 0.836 0.896 0.944 0.389 CB 1.413 19 residues pruned to eliminate duplicates Z: 17 7.195 1.746 0.327 0.331 0.750 0.625 CB 1.246 17 residues pruned to eliminate duplicates Z: 28 26.673 2.203 0.640 0.529 0.963 0.630 CB 1.433 28 residues pruned to eliminate duplicates Z: 20 15.127 2.046 0.548 0.342 0.895 0.526 CB 1.454 20 residues pruned to eliminate duplicates Z: 13 11.332 1.887 0.544 0.529 0.833 0.667 CA 1.309 13 residues pruned to eliminate duplicates Z: 6 2.675 1.796 0.110 0.326 0.600 0.600 CB 1.211 Z: 17 6.872 1.955 0.435 0.205 0.688 0.375 CA 1.264 17 residues pruned to eliminate duplicates Z: 7 5.673 1.901 -0.040 0.506 0.833 0.500 CB 1.514 7 residues pruned to eliminate duplicates Z: 21 44.469 2.220 0.963 0.919 1.000 0.500 CB 1.608 21 residues pruned to eliminate duplicates Z: 6 3.659 1.746 0.273 0.600 0.600 0.600 CA 1.116 Z: 63 28.233 2.013 0.463 0.476 0.887 0.548 CA 1.407 63 residues pruned to eliminate duplicates Z: 21 30.751 2.035 0.673 0.897 1.000 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 71 25.303 2.003 0.479 0.377 0.857 0.543 CB 1.358 70 residues pruned to eliminate duplicates Z: 18 24.802 2.099 0.444 0.904 0.941 0.765 CA 1.502 18 residues pruned to eliminate duplicates Z: 70 39.464 2.021 0.804 0.522 0.855 0.594 CB 1.491 72 residues pruned to eliminate duplicates Z: 16 27.375 2.064 0.730 0.907 1.000 0.533 CA 1.406 16 residues pruned to eliminate duplicates Z: 27 26.664 2.007 0.595 0.671 0.923 0.308 CB 1.512 27 residues pruned to eliminate duplicates Z: 11 5.046 1.704 0.629 0.389 0.700 0.400 CA 0.923 11 residues pruned to eliminate duplicates Z: 16 29.037 2.026 1.095 0.896 0.933 0.800 CB 1.356 16 residues pruned to eliminate duplicates Z: 13 8.348 1.615 0.406 0.459 0.917 0.583 CA 1.208 13 residues pruned to eliminate duplicates Z: 23 14.447 1.991 0.564 0.285 0.864 0.409 CA 1.458 23 residues pruned to eliminate duplicates Z: 18 17.044 2.101 0.296 0.763 0.882 0.706 CB 1.362 18 residues pruned to eliminate duplicates Z: 9 11.007 1.724 0.488 0.852 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 73 44.685 2.161 0.677 0.573 0.903 0.556 CB 1.501 73 residues pruned to eliminate duplicates Z: 16 10.234 1.904 0.607 0.356 0.733 0.533 CA 1.375 16 residues pruned to eliminate duplicates Z: 16 13.671 1.928 0.472 0.512 0.867 0.533 CB 1.418 16 residues pruned to eliminate duplicates 6 1.074 1.755 -0.248 0.572 0.600 0.600 CB 0.566 ? Z: 11 15.723 1.896 0.764 0.591 0.900 0.800 CB 1.514 11 residues pruned to eliminate duplicates Z: 19 11.159 1.877 0.166 0.379 0.944 0.500 CA 1.449 19 residues pruned to eliminate duplicates Z: 9 9.212 1.747 0.399 0.685 1.000 0.750 CB 1.124 9 residues pruned to eliminate duplicates Z: 17 25.318 2.083 0.582 0.909 1.000 0.625 CA 1.363 17 residues pruned to eliminate duplicates Z: 7 4.269 1.777 -0.243 0.637 1.000 0.500 CB 1.139 7 residues pruned to eliminate duplicates Z: 10 4.387 1.891 0.309 0.229 0.556 0.333 CA 1.459 10 residues pruned to eliminate duplicates Z: 6 6.814 1.589 1.137 0.462 0.800 0.400 CA 1.165 Z: 6 5.224 1.754 0.216 0.489 1.000 0.600 CB 1.108 Z: 42 22.910 2.022 0.596 0.354 0.902 0.439 CB 1.438 42 residues pruned to eliminate duplicates Z: 9 9.740 1.945 0.161 0.659 0.875 0.750 CB 1.505 9 residues pruned to eliminate duplicates Z: 12 5.488 1.958 0.025 0.412 0.727 0.636 CA 1.243 12 residues pruned to eliminate duplicates Z: 8 12.930 1.928 0.320 0.881 1.000 1.000 CA 1.390 8 residues pruned to eliminate duplicates Z: 12 12.701 2.061 0.150 0.833 1.000 0.545 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 17.346 1.834 0.811 0.515 1.000 0.636 CA 1.552 12 residues pruned to eliminate duplicates Z: 6 4.493 1.719 0.236 0.350 0.800 0.400 CB 1.390 7 residues pruned to eliminate duplicates Z: 7 6.277 1.805 0.649 0.519 0.667 0.500 CB 1.267 7 residues pruned to eliminate duplicates Z: 21 29.548 1.997 0.795 0.899 0.950 0.450 CB 1.387 21 residues pruned to eliminate duplicates Z: 10 7.259 1.639 0.450 0.597 0.889 0.444 CB 1.044 9 residues pruned to eliminate duplicates Z: 12 13.474 1.987 0.497 0.550 0.909 0.545 CB 1.430 12 residues pruned to eliminate duplicates Z: 14 15.979 1.739 0.413 0.828 1.000 0.692 CB 1.359 14 residues pruned to eliminate duplicates Z: 10 15.346 1.844 0.696 0.861 1.000 0.667 CA 1.201 10 residues pruned to eliminate duplicates Z: 7 2.598 1.502 0.284 0.283 0.667 0.500 CB 1.053 Z: 42 22.750 2.046 0.593 0.453 0.854 0.488 CB 1.341 29 residues pruned to eliminate duplicates Z: 10 8.147 1.809 0.316 0.378 1.000 0.667 CB 1.300 11 residues pruned to eliminate duplicates Z: 10 10.441 2.063 0.390 0.499 0.889 0.667 CB 1.368 10 residues pruned to eliminate duplicates Z: 51 30.279 2.053 0.614 0.514 0.880 0.480 CB 1.449 51 residues pruned to eliminate duplicates Z: 21 37.622 2.253 0.641 0.921 0.950 0.650 CB 1.685 21 residues pruned to eliminate duplicates Z: 28 15.817 2.041 0.475 0.316 0.815 0.519 CB 1.520 28 residues pruned to eliminate duplicates Z: 28 15.170 1.955 0.316 0.418 0.926 0.593 CB 1.335 28 residues pruned to eliminate duplicates Z: 17 8.445 1.731 0.277 0.479 0.812 0.562 CA 1.201 15 residues pruned to eliminate duplicates Z: 45 38.546 2.162 0.612 0.682 0.932 0.750 CA 1.513 45 residues pruned to eliminate duplicates Z: 15 11.168 1.842 0.354 0.458 0.857 0.571 CA 1.458 15 residues pruned to eliminate duplicates Z: 20 10.449 1.904 0.348 0.363 0.737 0.632 CA 1.470 20 residues pruned to eliminate duplicates Z: 6 5.202 1.415 0.527 0.590 1.000 0.800 CB 0.988 Z: 15 8.300 1.914 0.189 0.381 0.857 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 22 14.801 1.970 0.869 0.405 0.762 0.524 CB 1.272 20 residues pruned to eliminate duplicates Z: 21 15.180 1.873 0.445 0.458 0.900 0.650 CB 1.455 21 residues pruned to eliminate duplicates Z: 20 9.008 1.804 0.160 0.340 0.842 0.579 CA 1.396 20 residues pruned to eliminate duplicates Z: 20 37.184 2.011 0.960 0.909 1.000 0.684 CB 1.535 20 residues pruned to eliminate duplicates Z: 7 2.661 1.589 -0.217 0.370 0.833 0.667 C 1.205 Z: 16 10.163 1.776 0.308 0.445 0.867 0.600 CB 1.379 16 residues pruned to eliminate duplicates Z: 15 11.135 1.982 0.042 0.830 0.929 0.786 CA 1.167 15 residues pruned to eliminate duplicates Z: 20 10.291 1.802 0.262 0.340 0.895 0.526 CA 1.381 20 residues pruned to eliminate duplicates Z: 14 10.927 1.993 0.601 0.551 0.923 0.769 CB 0.979 14 residues pruned to eliminate duplicates Z: 21 28.449 1.980 0.685 0.860 1.000 0.700 CB 1.401 21 residues pruned to eliminate duplicates Z: 17 12.810 1.895 0.612 0.505 0.875 0.375 CB 1.192 17 residues pruned to eliminate duplicates Z: 9 14.602 1.815 0.517 0.849 1.000 0.750 CA 1.390 9 residues pruned to eliminate duplicates Z: 30 14.950 1.888 0.331 0.478 0.828 0.552 CA 1.365 29 residues pruned to eliminate duplicates Z: 21 44.350 2.206 1.016 0.920 0.950 0.250 CB 1.652 21 residues pruned to eliminate duplicates Z: 14 8.562 1.900 0.477 0.396 0.846 0.615 CA 1.116 14 residues pruned to eliminate duplicates Z: 30 24.283 2.126 0.783 0.434 0.897 0.586 CB 1.419 30 residues pruned to eliminate duplicates Z: 8 4.403 1.501 -0.013 0.496 1.000 0.571 N 1.128 Z: 15 19.218 1.787 0.624 0.870 1.000 0.786 CB 1.292 15 residues pruned to eliminate duplicates Z: 6 2.776 1.616 0.034 0.605 0.800 0.800 CB 0.840 6 residues pruned to eliminate duplicates Z: 12 10.472 1.882 0.302 0.452 0.909 0.545 CA 1.490 12 residues pruned to eliminate duplicates Z: 12 7.394 1.813 0.396 0.324 0.818 0.455 CB 1.307 12 residues pruned to eliminate duplicates Z: 22 28.749 2.113 0.430 0.892 1.000 0.857 CB 1.492 22 residues pruned to eliminate duplicates Z: 6 3.139 1.382 0.571 0.467 0.600 0.400 CA 1.115 6 residues pruned to eliminate duplicates Z: 10 6.494 1.728 0.406 0.333 0.889 0.444 CB 1.203 12 residues pruned to eliminate duplicates Z: 17 13.422 2.037 0.561 0.392 0.875 0.438 CA 1.352 17 residues pruned to eliminate duplicates Z: 85 43.019 2.080 0.646 0.543 0.929 0.488 CB 1.416 85 residues pruned to eliminate duplicates Z: 9 9.620 1.901 0.858 0.533 1.000 0.750 CB 0.932 9 residues pruned to eliminate duplicates Z: 16 8.440 1.957 0.349 0.395 0.733 0.667 CB 1.257 16 residues pruned to eliminate duplicates Z: 69 45.534 2.176 0.807 0.559 0.912 0.544 CB 1.454 69 residues pruned to eliminate duplicates Z: 30 17.509 1.946 0.431 0.376 0.966 0.552 CB 1.380 32 residues pruned to eliminate duplicates Z: 39 17.759 1.950 0.451 0.441 0.816 0.632 CA 1.327 39 residues pruned to eliminate duplicates Z: 6 4.340 1.863 0.150 0.363 0.800 0.400 CB 1.312 Z: 8 9.751 1.824 0.547 0.666 0.857 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 7 8.399 1.899 0.503 0.748 0.833 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 21 31.285 2.023 0.597 0.846 1.000 0.850 CA 1.608 21 residues pruned to eliminate duplicates Z: 13 8.056 1.759 0.336 0.380 0.833 0.583 CA 1.349 12 residues pruned to eliminate duplicates Z: 47 22.563 2.060 0.550 0.387 0.870 0.478 CB 1.351 47 residues pruned to eliminate duplicates Z: 11 6.647 1.677 0.386 0.583 0.900 0.700 CB 0.928 11 residues pruned to eliminate duplicates Z: 17 12.581 2.024 0.426 0.474 0.875 0.688 CA 1.279 17 residues pruned to eliminate duplicates Z: 6 9.760 2.049 0.642 0.657 0.800 0.400 CB 1.403 6 residues pruned to eliminate duplicates Z: 8 6.061 1.702 0.294 0.674 0.714 0.571 CB 1.241 8 residues pruned to eliminate duplicates Z: 11 12.435 1.887 0.172 0.846 0.900 0.600 CB 1.468 11 residues pruned to eliminate duplicates 7 1.804 1.560 0.351 0.314 0.667 0.500 N 0.644 ? Z: 80 36.419 2.045 0.528 0.531 0.873 0.557 CB 1.455 80 residues pruned to eliminate duplicates Z: 9 3.875 1.669 0.173 0.260 0.750 0.500 CB 1.229 9 residues pruned to eliminate duplicates Z: 6 3.715 1.674 0.376 0.200 0.800 0.200 CB 1.289 Z: 106 42.463 2.063 0.545 0.532 0.895 0.638 CB 1.407 106 residues pruned to eliminate duplicates Z: 11 8.515 1.896 0.239 0.605 0.800 0.500 CB 1.296 11 residues pruned to eliminate duplicates Z: 8 5.537 1.648 0.161 0.529 0.857 0.429 CB 1.241 8 residues pruned to eliminate duplicates Z: 6 5.142 1.514 0.569 0.608 1.000 0.600 N 0.874 Z: 9 8.733 1.523 0.599 0.842 1.000 0.625 CA 0.944 9 residues pruned to eliminate duplicates Z: 67 38.281 2.092 0.485 0.576 0.939 0.591 CA 1.500 67 residues pruned to eliminate duplicates Z: 13 8.464 1.874 0.475 0.353 0.833 0.417 CA 1.244 13 residues pruned to eliminate duplicates Z: 13 13.190 1.936 0.576 0.577 1.000 0.667 CB 1.159 13 residues pruned to eliminate duplicates Z: 8 7.761 1.761 0.274 0.538 1.000 0.714 CB 1.259 8 residues pruned to eliminate duplicates Z: 25 12.408 1.852 0.503 0.412 0.875 0.458 CA 1.140 25 residues pruned to eliminate duplicates Z: 25 20.047 2.048 0.508 0.517 0.917 0.708 CB 1.422 25 residues pruned to eliminate duplicates Z: 6 3.542 1.685 0.502 0.488 0.800 0.600 N 0.792 6 residues pruned to eliminate duplicates Z: 19 27.705 2.012 0.772 0.817 0.944 0.722 CB 1.473 19 residues pruned to eliminate duplicates Z: 8 16.222 1.953 0.884 0.773 0.857 0.286 CB 1.527 8 residues pruned to eliminate duplicates Z: 19 7.881 1.800 0.352 0.377 0.722 0.389 CB 1.205 19 residues pruned to eliminate duplicates Z: 24 13.718 1.853 0.516 0.405 0.870 0.435 CA 1.294 24 residues pruned to eliminate duplicates Z: 20 9.843 1.801 0.465 0.331 0.947 0.526 CA 1.087 20 residues pruned to eliminate duplicates Z: 14 12.412 1.907 0.849 0.439 0.923 0.769 CB 1.127 14 residues pruned to eliminate duplicates Z: 25 13.664 1.971 0.396 0.373 0.792 0.583 CB 1.467 25 residues pruned to eliminate duplicates Z: 12 21.224 1.998 1.013 0.535 1.000 0.818 CA 1.538 12 residues pruned to eliminate duplicates Z: 19 16.125 2.085 0.456 0.444 0.833 0.500 CA 1.592 19 residues pruned to eliminate duplicates Z: 11 18.668 2.146 0.563 0.632 1.000 0.600 CA 1.556 11 residues pruned to eliminate duplicates Z: 23 12.647 1.877 0.267 0.368 0.864 0.455 CA 1.512 23 residues pruned to eliminate duplicates Z: 17 9.715 1.737 0.315 0.438 0.875 0.438 CB 1.296 17 residues pruned to eliminate duplicates Z: 19 8.948 1.811 0.620 0.395 0.889 0.556 CB 0.904 19 residues pruned to eliminate duplicates 6 1.425 1.633 0.581 0.624 0.600 0.600 CB 0.366 ? Z: 19 9.674 1.821 0.236 0.386 0.833 0.611 CA 1.371 21 residues pruned to eliminate duplicates Z: 73 45.956 2.127 0.638 0.573 0.931 0.639 CB 1.556 73 residues pruned to eliminate duplicates Z: 19 20.290 2.006 0.614 0.829 0.889 0.389 CB 1.250 19 residues pruned to eliminate duplicates Z: 6 2.474 1.593 0.366 0.330 0.800 0.400 CB 0.766 Z: 23 11.132 1.839 0.320 0.351 0.909 0.455 CB 1.263 23 residues pruned to eliminate duplicates Z: 6 2.249 1.395 0.228 0.411 0.800 0.200 CB 0.806 Z: 25 12.793 1.787 0.408 0.488 0.792 0.708 CA 1.327 25 residues pruned to eliminate duplicates Z: 16 6.337 1.978 0.456 0.269 0.733 0.333 CB 1.007 16 residues pruned to eliminate duplicates Z: 15 15.384 2.042 0.296 0.472 1.000 0.643 CA 1.599 13 residues pruned to eliminate duplicates Z: 9 3.366 1.528 0.083 0.385 0.750 0.500 N 1.085 5 residues pruned to eliminate duplicates Z: 13 7.551 1.914 0.032 0.442 0.833 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 18 21.639 2.079 0.579 0.868 0.882 0.471 CB 1.325 18 residues pruned to eliminate duplicates 6 1.901 1.658 0.600 0.288 0.600 0.400 N 0.677 ? Z: 20 14.207 1.877 0.368 0.446 0.895 0.632 CB 1.499 20 residues pruned to eliminate duplicates Z: 8 10.600 1.929 0.158 0.865 1.000 0.857 CA 1.314 8 residues pruned to eliminate duplicates Z: 6 5.602 1.798 0.229 0.695 0.800 0.800 CB 1.186 Z: 6 6.014 1.626 0.513 0.632 0.800 0.600 O 1.208 6 residues pruned to eliminate duplicates Z: 10 13.627 2.039 0.289 0.676 0.889 0.778 CA 1.653 10 residues pruned to eliminate duplicates Z: 6 8.375 1.922 0.053 0.887 1.000 0.800 CA 1.335 6 residues pruned to eliminate duplicates Z: 10 7.176 1.729 0.207 0.551 0.778 0.556 CB 1.401 10 residues pruned to eliminate duplicates Z: 18 33.698 2.212 0.863 0.913 1.000 0.824 CB 1.404 18 residues pruned to eliminate duplicates Z: 6 2.509 1.392 0.115 0.389 0.800 0.400 N 1.017 Z: 50 48.614 2.195 0.776 0.692 0.980 0.592 CB 1.525 50 residues pruned to eliminate duplicates Z: 7 7.179 2.018 0.255 0.492 0.833 0.500 CB 1.400 7 residues pruned to eliminate duplicates Z: 7 3.961 1.666 0.298 0.286 0.833 0.333 CB 1.142 Z: 20 30.056 2.023 0.710 0.866 0.947 0.737 CA 1.540 20 residues pruned to eliminate duplicates Z: 37 24.119 2.036 0.468 0.486 0.944 0.611 CA 1.444 36 residues pruned to eliminate duplicates Z: 12 4.769 1.930 -0.132 0.380 0.727 0.455 CA 1.340 12 residues pruned to eliminate duplicates Z: 16 13.798 1.874 0.421 0.565 0.933 0.733 CB 1.346 16 residues pruned to eliminate duplicates Z: 8 8.332 2.017 0.383 0.475 0.857 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 22 8.967 1.871 0.184 0.299 0.857 0.381 CB 1.290 22 residues pruned to eliminate duplicates Z: 6 4.175 1.536 1.205 0.419 0.600 0.400 CB 1.000 Z: 48 28.389 2.005 0.510 0.477 0.936 0.553 CA 1.496 48 residues pruned to eliminate duplicates Z: 20 17.298 2.158 0.596 0.353 0.895 0.579 CB 1.510 20 residues pruned to eliminate duplicates Z: 12 11.055 1.910 0.407 0.606 0.909 0.818 CA 1.233 12 residues pruned to eliminate duplicates Z: 23 11.845 1.816 0.408 0.309 0.818 0.318 C 1.493 23 residues pruned to eliminate duplicates Z: 8 4.093 1.725 0.872 0.399 0.571 0.571 CB 0.932 8 residues pruned to eliminate duplicates Z: 6 7.962 1.606 0.985 0.599 1.000 0.600 CB 1.016 Z: 21 43.158 2.250 0.885 0.925 1.000 0.450 CB 1.596 21 residues pruned to eliminate duplicates Z: 12 6.110 1.682 0.270 0.475 0.818 0.545 CB 1.081 11 residues pruned to eliminate duplicates Z: 21 23.838 2.001 0.490 0.892 0.950 0.700 CB 1.352 21 residues pruned to eliminate duplicates Z: 11 5.750 1.730 0.130 0.417 1.000 0.500 CB 1.014 11 residues pruned to eliminate duplicates Z: 7 8.668 1.968 0.027 0.871 1.000 1.000 CA 1.278 7 residues pruned to eliminate duplicates Z: 19 28.280 2.045 0.814 0.900 0.833 0.444 CA 1.541 19 residues pruned to eliminate duplicates Z: 26 14.080 1.876 0.398 0.436 0.920 0.600 CB 1.247 26 residues pruned to eliminate duplicates Z: 27 22.147 2.189 0.649 0.334 0.923 0.615 CB 1.564 27 residues pruned to eliminate duplicates Z: 6 4.853 1.828 0.365 0.442 0.800 0.600 CA 1.154 6 residues pruned to eliminate duplicates Z: 12 7.458 1.943 0.193 0.508 0.909 0.636 CA 1.058 12 residues pruned to eliminate duplicates Z: 12 6.558 1.759 0.047 0.437 0.818 0.455 C 1.400 Z: 12 5.475 1.646 0.341 0.507 0.636 0.455 CB 1.167 12 residues pruned to eliminate duplicates Z: 21 43.869 2.242 0.895 0.928 1.000 0.600 CB 1.618 21 residues pruned to eliminate duplicates Z: 6 5.867 1.738 0.290 0.566 1.000 0.800 N 1.098 6 residues pruned to eliminate duplicates Z: 21 8.809 1.816 0.362 0.309 0.850 0.450 CB 1.158 21 residues pruned to eliminate duplicates Z: 18 13.697 2.047 0.449 0.463 0.824 0.765 CB 1.413 18 residues pruned to eliminate duplicates Z: 8 7.960 1.652 0.532 0.512 1.000 0.714 CA 1.175 7 residues pruned to eliminate duplicates Z: 11 6.894 1.709 0.554 0.417 0.800 0.700 CB 1.119 6 residues pruned to eliminate duplicates Z: 7 7.356 1.750 0.790 0.642 0.833 0.667 CA 1.007 6 residues pruned to eliminate duplicates Z: 52 29.142 1.912 0.471 0.656 0.922 0.804 CB 1.362 52 residues pruned to eliminate duplicates Z: 6 3.512 1.279 0.508 0.662 0.800 0.800 CB 0.876 Z: 12 7.564 1.738 0.724 0.312 0.727 0.455 CB 1.289 11 residues pruned to eliminate duplicates Z: 14 10.057 1.654 0.794 0.486 0.692 0.462 CB 1.377 14 residues pruned to eliminate duplicates Z: 14 6.755 1.878 0.322 0.313 0.769 0.769 CB 1.206 14 residues pruned to eliminate duplicates Z: 6 3.100 1.579 -0.041 0.461 0.800 0.400 O 1.190 Z: 6 2.027 1.321 0.739 0.362 0.600 0.200 CB 0.763 Z: 26 25.742 2.064 0.694 0.528 1.000 0.520 CB 1.432 26 residues pruned to eliminate duplicates Z: 12 6.457 1.535 0.372 0.427 0.909 0.455 CA 1.097 Z: 25 15.863 1.980 0.245 0.484 0.917 0.542 CA 1.456 25 residues pruned to eliminate duplicates Z: 14 11.349 1.890 0.432 0.613 0.846 0.615 CB 1.235 14 residues pruned to eliminate duplicates Z: 19 8.791 1.738 0.502 0.372 0.667 0.444 CB 1.365 19 residues pruned to eliminate duplicates Z: 21 12.978 1.684 0.783 0.439 0.900 0.450 CB 1.143 21 residues pruned to eliminate duplicates Z: 6 6.363 1.787 0.551 0.639 0.800 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 17 13.448 2.051 0.284 0.492 0.875 0.562 CA 1.471 17 residues pruned to eliminate duplicates Z: 53 36.887 2.014 0.642 0.646 0.942 0.596 CB 1.432 52 residues pruned to eliminate duplicates Z: 11 4.225 1.427 0.623 0.261 0.800 0.500 CB 0.947 Z: 22 24.326 1.889 0.706 0.764 0.857 0.619 CA 1.520 22 residues pruned to eliminate duplicates Z: 35 30.304 2.030 0.646 0.654 0.912 0.529 CA 1.478 35 residues pruned to eliminate duplicates Z: 10 5.209 1.594 0.201 0.335 0.889 0.556 CA 1.222 10 residues pruned to eliminate duplicates Z: 22 17.165 1.951 0.541 0.555 0.905 0.524 CB 1.305 22 residues pruned to eliminate duplicates Z: 58 33.764 2.103 0.520 0.565 0.895 0.509 CB 1.468 58 residues pruned to eliminate duplicates Z: 6 2.439 1.472 0.478 0.434 0.600 0.600 CB 0.894 6 residues pruned to eliminate duplicates Z: 11 16.241 2.092 0.388 0.875 1.000 1.000 CB 1.287 11 residues pruned to eliminate duplicates Z: 13 8.167 1.808 0.335 0.306 0.917 0.500 CB 1.323 13 residues pruned to eliminate duplicates Z: 41 18.852 1.928 0.307 0.457 0.875 0.575 CB 1.413 41 residues pruned to eliminate duplicates Z: 15 10.323 1.907 0.620 0.376 0.786 0.500 CA 1.297 15 residues pruned to eliminate duplicates Z: 8 13.599 1.946 0.670 0.847 0.857 0.429 CA 1.370 8 residues pruned to eliminate duplicates 6 1.885 1.182 0.836 0.344 0.600 0.400 CB 0.767 ? Z: 8 3.254 1.563 0.191 0.489 0.857 0.714 CB 0.780 8 residues pruned to eliminate duplicates Z: 21 40.976 2.255 0.860 0.896 1.000 0.300 CB 1.565 21 residues pruned to eliminate duplicates Z: 7 4.232 1.419 0.328 0.335 1.000 0.333 CA 1.099 Z: 17 24.293 2.163 0.693 0.877 0.812 0.562 CB 1.482 17 residues pruned to eliminate duplicates Z: 17 15.644 2.051 0.616 0.372 0.812 0.562 N 1.665 22 residues pruned to eliminate duplicates Z: 7 2.562 1.929 -0.058 0.730 0.833 0.667 CB 0.561 7 residues pruned to eliminate duplicates Z: 8 4.845 1.676 0.529 0.310 0.714 0.571 CB 1.234 Z: 13 5.948 1.751 0.187 0.458 0.750 0.417 CA 1.149 13 residues pruned to eliminate duplicates Z: 16 12.950 1.763 0.475 0.538 0.933 0.533 CB 1.327 15 residues pruned to eliminate duplicates Z: 25 19.748 1.977 0.481 0.544 0.958 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 14 10.398 1.872 0.334 0.433 0.923 0.538 CB 1.341 15 residues pruned to eliminate duplicates Z: 9 4.368 1.496 0.201 0.345 1.000 0.750 CB 1.017 Z: 8 6.450 1.827 0.461 0.374 0.857 0.714 CA 1.219 8 residues pruned to eliminate duplicates Z: 8 2.161 1.609 -0.216 0.624 0.714 0.714 CB 0.807 7 residues pruned to eliminate duplicates 6 1.323 1.470 0.162 0.394 0.400 0.400 CA 0.969 ? Z: 7 5.184 1.386 0.369 0.617 1.000 0.667 CB 0.998 Z: 7 5.698 1.547 0.263 0.674 1.000 0.833 O 1.014 7 residues pruned to eliminate duplicates Z: 6 6.018 1.735 0.794 0.398 1.000 1.000 CB 0.963 7 residues pruned to eliminate duplicates Z: 16 17.375 2.049 0.381 0.586 1.000 0.800 CB 1.460 16 residues pruned to eliminate duplicates Z: 52 24.100 1.870 0.691 0.441 0.843 0.490 CB 1.344 52 residues pruned to eliminate duplicates Z: 23 17.872 2.025 0.748 0.402 0.864 0.591 CB 1.382 23 residues pruned to eliminate duplicates Z: 13 9.354 1.953 0.166 0.453 0.917 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 15 15.711 2.070 0.183 0.569 0.929 0.714 CB 1.727 15 residues pruned to eliminate duplicates Z: 15 15.826 1.918 0.622 0.443 1.000 0.571 CA 1.443 16 residues pruned to eliminate duplicates Z: 8 12.247 1.829 0.658 0.570 1.000 0.571 CA 1.427 8 residues pruned to eliminate duplicates Z: 12 9.990 1.904 0.209 0.534 1.000 0.727 CA 1.266 12 residues pruned to eliminate duplicates Z: 8 9.723 1.984 0.490 0.523 0.857 0.429 CA 1.418 8 residues pruned to eliminate duplicates Z: 18 20.888 2.118 0.362 0.841 0.882 0.471 CB 1.484 18 residues pruned to eliminate duplicates Z: 50 27.577 2.015 0.499 0.547 0.898 0.714 CB 1.387 50 residues pruned to eliminate duplicates Z: 14 11.129 1.650 0.750 0.443 0.846 0.692 CA 1.341 14 residues pruned to eliminate duplicates Z: 29 19.039 1.889 0.638 0.479 0.821 0.607 CB 1.446 29 residues pruned to eliminate duplicates Z: 13 7.386 1.662 0.363 0.314 0.917 0.583 CA 1.261 13 residues pruned to eliminate duplicates Z: 13 24.109 1.859 1.193 0.921 0.917 0.750 CA 1.311 13 residues pruned to eliminate duplicates Z: 8 2.558 1.466 0.140 0.504 0.571 0.571 N 1.009 Z: 6 4.892 1.756 0.086 0.383 1.000 0.600 CB 1.300 6 residues pruned to eliminate duplicates Z: 17 11.108 1.906 0.435 0.485 0.812 0.625 CA 1.268 17 residues pruned to eliminate duplicates Z: 7 5.914 1.732 0.789 0.571 0.833 0.667 CB 0.873 7 residues pruned to eliminate duplicates Z: 13 7.063 1.739 0.297 0.400 0.917 0.667 CB 1.096 13 residues pruned to eliminate duplicates 6 1.349 1.517 -0.185 0.292 0.800 0.400 N 0.770 ? Z: 37 22.716 1.983 0.502 0.491 0.944 0.611 CB 1.358 37 residues pruned to eliminate duplicates Z: 13 9.914 1.742 0.446 0.416 0.833 0.750 CA 1.489 13 residues pruned to eliminate duplicates Z: 7 3.418 1.579 0.564 0.305 0.667 0.500 CB 1.052 7 residues pruned to eliminate duplicates Z: 12 4.820 1.752 0.072 0.243 0.818 0.545 CB 1.274 12 residues pruned to eliminate duplicates Z: 27 17.167 1.980 0.545 0.421 0.923 0.577 CB 1.294 27 residues pruned to eliminate duplicates Z: 8 10.863 1.868 0.374 0.599 1.000 0.857 CA 1.456 8 residues pruned to eliminate duplicates Z: 9 4.350 1.480 0.349 0.427 1.000 0.375 CB 0.831 Z: 12 19.510 1.976 0.633 0.885 1.000 0.727 CA 1.317 12 residues pruned to eliminate duplicates Z: 41 17.227 1.827 0.414 0.444 0.850 0.575 CA 1.313 41 residues pruned to eliminate duplicates Z: 6 3.777 1.695 0.463 0.551 0.800 0.600 CB 0.810 5 residues pruned to eliminate duplicates Z: 34 16.020 2.098 0.412 0.404 0.788 0.424 CB 1.322 34 residues pruned to eliminate duplicates Z: 64 32.546 1.985 0.532 0.527 0.937 0.619 CB 1.403 64 residues pruned to eliminate duplicates Z: 70 31.846 1.971 0.449 0.543 0.899 0.565 CB 1.431 70 residues pruned to eliminate duplicates Z: 16 11.069 1.861 0.197 0.544 1.000 0.600 CA 1.229 16 residues pruned to eliminate duplicates Z: 11 12.795 1.981 0.660 0.499 0.900 0.600 CB 1.368 11 residues pruned to eliminate duplicates Z: 29 21.899 1.932 0.635 0.483 0.964 0.500 CB 1.382 29 residues pruned to eliminate duplicates Z: 21 40.586 2.201 0.940 0.899 1.000 0.600 CB 1.520 21 residues pruned to eliminate duplicates Z: 18 11.375 1.792 0.410 0.487 0.941 0.471 CB 1.175 18 residues pruned to eliminate duplicates Z: 12 14.819 1.811 0.703 0.849 0.909 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 19 23.051 2.091 0.614 0.866 0.833 0.611 CB 1.414 19 residues pruned to eliminate duplicates Z: 11 3.528 1.704 0.144 0.357 0.700 0.400 CB 0.953 11 residues pruned to eliminate duplicates Z: 6 2.277 1.470 -0.113 0.464 0.800 0.400 N 1.013 Z: 25 17.047 2.043 0.633 0.394 0.917 0.542 CA 1.272 25 residues pruned to eliminate duplicates Z: 13 6.303 1.846 0.463 0.253 0.750 0.333 CA 1.194 13 residues pruned to eliminate duplicates Z: 12 7.539 1.804 0.334 0.577 0.818 0.727 CA 1.072 12 residues pruned to eliminate duplicates Z: 8 4.411 1.718 0.034 0.568 0.857 0.857 CA 1.025 8 residues pruned to eliminate duplicates Z: 23 17.557 1.991 0.468 0.516 1.000 0.500 CB 1.261 23 residues pruned to eliminate duplicates Z: 7 4.673 1.698 0.523 0.246 0.833 0.667 CB 1.186 Z: 23 14.173 1.970 0.270 0.385 1.000 0.545 CA 1.364 23 residues pruned to eliminate duplicates Z: 7 3.943 1.453 0.557 0.471 0.833 0.500 CA 0.880 Z: 7 2.085 1.530 0.358 0.249 0.500 0.500 CB 1.094 Z: 7 6.326 1.956 0.586 0.699 0.833 0.333 CB 0.833 7 residues pruned to eliminate duplicates Z: 9 2.040 1.502 0.527 0.257 0.625 0.375 CB 0.665 Z: 9 3.804 1.377 0.486 0.617 0.750 0.500 CB 0.784 Z: 8 4.635 1.516 0.975 0.370 0.857 0.571 N 0.784 Z: 20 14.085 1.909 0.615 0.403 0.895 0.737 CB 1.298 20 residues pruned to eliminate duplicates Z: 14 12.118 1.834 0.428 0.631 0.923 0.538 CB 1.229 14 residues pruned to eliminate duplicates Z: 6 2.954 1.109 0.697 0.685 0.800 0.600 N 0.741 Z: 19 7.890 1.781 0.401 0.328 0.722 0.500 CB 1.246 19 residues pruned to eliminate duplicates Z: 24 13.191 1.918 0.344 0.458 0.870 0.739 CB 1.281 24 residues pruned to eliminate duplicates Z: 10 11.119 1.696 0.759 0.742 0.889 0.556 CB 1.125 10 residues pruned to eliminate duplicates Z: 9 15.576 1.904 0.820 0.861 0.875 0.500 CA 1.334 9 residues pruned to eliminate duplicates Z: 12 7.627 1.882 0.111 0.550 0.818 0.545 CA 1.280 12 residues pruned to eliminate duplicates Z: 19 10.917 1.741 0.731 0.369 0.722 0.444 CA 1.360 19 residues pruned to eliminate duplicates Z: 23 27.776 2.142 0.334 0.787 1.000 0.773 CB 1.611 23 residues pruned to eliminate duplicates Z: 6 3.068 1.583 -0.297 0.622 0.800 0.600 CB 1.374 Z: 15 11.589 1.857 0.514 0.475 0.929 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 6 3.481 1.355 0.458 0.439 1.000 0.400 C 0.839 Z: 7 8.962 1.869 0.373 0.662 1.000 0.500 CA 1.228 7 residues pruned to eliminate duplicates Z: 12 6.043 1.769 0.201 0.475 0.818 0.545 CA 1.075 12 residues pruned to eliminate duplicates 7 1.187 1.089 0.363 0.503 0.667 0.667 N 0.488 ? Z: 29 15.868 1.957 0.293 0.415 0.964 0.464 CB 1.343 29 residues pruned to eliminate duplicates Z: 14 7.939 1.771 0.673 0.333 0.692 0.462 CB 1.288 17 residues pruned to eliminate duplicates Z: 7 3.687 1.578 0.424 0.403 0.667 0.500 CA 1.113 Z: 67 45.215 2.184 0.777 0.579 0.924 0.500 CB 1.438 67 residues pruned to eliminate duplicates Z: 7 2.517 1.753 -0.096 0.680 1.000 1.000 CB 0.550 Z: 29 22.338 2.129 0.559 0.383 0.929 0.571 CB 1.552 29 residues pruned to eliminate duplicates Z: 24 8.260 1.774 0.367 0.302 0.739 0.435 CB 1.198 23 residues pruned to eliminate duplicates Z: 13 11.667 1.883 0.394 0.435 0.917 0.583 CA 1.497 13 residues pruned to eliminate duplicates Z: 8 3.301 1.336 0.240 0.345 1.000 0.571 CB 0.891 Z: 9 8.033 1.866 0.167 0.448 1.000 0.625 CB 1.375 9 residues pruned to eliminate duplicates Z: 28 11.761 1.723 0.377 0.389 0.889 0.444 CA 1.207 25 residues pruned to eliminate duplicates Z: 7 4.319 1.362 0.135 0.724 1.000 0.667 CB 0.932 7 residues pruned to eliminate duplicates Z: 17 12.168 1.942 0.246 0.407 0.875 0.625 CB 1.583 17 residues pruned to eliminate duplicates Z: 13 15.823 1.785 0.578 0.607 1.000 0.583 CA 1.465 13 residues pruned to eliminate duplicates Z: 10 4.994 1.445 0.244 0.496 0.889 0.667 N 1.046 10 residues pruned to eliminate duplicates Z: 6 5.397 1.745 0.592 0.617 1.000 0.800 CA 0.778 6 residues pruned to eliminate duplicates 6 1.425 1.359 0.188 0.309 0.600 0.400 CB 0.814 ? Z: 6 3.050 1.727 0.182 0.579 0.800 0.600 CA 0.774 6 residues pruned to eliminate duplicates Z: 18 13.523 2.132 0.528 0.343 0.824 0.471 CA 1.450 18 residues pruned to eliminate duplicates Z: 6 3.459 1.696 0.309 0.320 0.800 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 6 2.007 1.422 0.519 0.454 0.600 0.600 N 0.726 Z: 39 41.597 2.129 0.853 0.680 0.974 0.711 CA 1.488 39 residues pruned to eliminate duplicates Z: 38 28.879 1.976 0.616 0.638 0.892 0.622 CB 1.465 38 residues pruned to eliminate duplicates Z: 19 22.061 1.942 0.307 0.841 0.944 0.778 CB 1.617 19 residues pruned to eliminate duplicates Z: 13 5.534 1.633 0.438 0.204 0.917 0.583 CB 1.054 9 residues pruned to eliminate duplicates Z: 14 10.779 1.933 0.339 0.438 0.923 0.538 CA 1.333 14 residues pruned to eliminate duplicates Z: 8 3.502 1.421 0.686 0.379 0.714 0.571 CA 0.880 Z: 20 13.603 2.034 0.620 0.206 0.842 0.632 CB 1.593 20 residues pruned to eliminate duplicates Z: 20 33.832 2.270 0.709 0.894 0.895 0.526 CB 1.604 20 residues pruned to eliminate duplicates Z: 10 4.540 1.529 0.481 0.269 0.667 0.333 N 1.303 Z: 17 17.289 1.818 0.773 0.895 0.875 0.562 CB 1.098 17 residues pruned to eliminate duplicates Z: 20 19.832 1.975 0.507 0.692 1.000 0.684 CB 1.283 20 residues pruned to eliminate duplicates Z: 18 9.942 1.712 0.435 0.487 0.824 0.588 CA 1.207 18 residues pruned to eliminate duplicates Z: 19 9.641 1.670 0.382 0.337 0.889 0.444 CA 1.323 27 residues pruned to eliminate duplicates Z: 10 8.450 2.073 0.098 0.845 1.000 0.556 CB 0.920 10 residues pruned to eliminate duplicates Z: 35 21.761 1.946 0.606 0.439 0.912 0.588 CA 1.394 34 residues pruned to eliminate duplicates Z: 9 5.968 1.543 0.409 0.594 0.875 0.625 CB 1.014 9 residues pruned to eliminate duplicates Z: 8 7.724 2.025 -0.040 0.786 0.714 0.429 CB 1.634 8 residues pruned to eliminate duplicates Z: 9 8.614 1.785 0.715 0.645 0.750 0.500 CB 1.158 13 residues pruned to eliminate duplicates 8 1.964 1.424 0.683 0.176 0.571 0.143 CB 0.803 ? Z: 9 3.505 1.393 0.013 0.293 1.000 0.375 O 1.108 Z: 6 4.765 1.640 0.481 0.300 0.800 0.400 CA 1.371 6 residues pruned to eliminate duplicates Z: 6 3.129 1.418 0.365 0.628 0.600 0.400 CB 1.068 Z: 19 29.877 2.083 0.879 0.920 0.944 0.556 CB 1.341 19 residues pruned to eliminate duplicates Z: 6 4.690 1.589 0.557 0.697 1.000 0.800 CB 0.708 4 residues pruned to eliminate duplicates Z: 20 14.877 1.980 0.403 0.444 0.842 0.474 CB 1.545 20 residues pruned to eliminate duplicates Z: 9 4.740 1.715 0.198 0.316 0.750 0.375 CA 1.333 9 residues pruned to eliminate duplicates Z: 47 25.607 2.002 0.512 0.476 0.935 0.522 CB 1.368 47 residues pruned to eliminate duplicates Z: 8 4.950 1.646 0.156 0.450 1.000 0.571 CA 1.035 Z: 14 5.579 1.476 0.882 0.320 0.692 0.308 N 0.982 Z: 6 4.759 1.656 0.150 0.647 1.000 0.400 CB 0.974 6 residues pruned to eliminate duplicates Z: 6 4.091 1.295 0.619 0.610 1.000 0.800 CB 0.786 Z: 22 32.787 1.960 0.739 0.926 1.000 0.905 CB 1.473 22 residues pruned to eliminate duplicates Z: 15 15.027 2.100 0.280 0.494 1.000 0.714 CB 1.503 15 residues pruned to eliminate duplicates Z: 15 9.047 1.668 0.394 0.588 0.929 0.643 CB 1.029 15 residues pruned to eliminate duplicates Z: 6 2.260 1.323 0.373 0.364 1.000 0.800 CB 0.644 Z: 16 7.576 1.713 0.346 0.385 0.800 0.467 CB 1.198 16 residues pruned to eliminate duplicates Z: 11 8.048 1.673 0.218 0.642 0.900 0.600 CA 1.216 11 residues pruned to eliminate duplicates Z: 9 4.566 1.664 0.472 0.478 0.875 0.625 CB 0.770 9 residues pruned to eliminate duplicates Z: 17 9.772 1.916 0.745 0.335 0.625 0.500 CA 1.401 17 residues pruned to eliminate duplicates Z: 13 10.653 2.038 0.548 0.227 1.000 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 6 3.729 1.480 0.445 0.524 0.800 0.600 CA 0.951 Z: 30 17.043 2.020 0.371 0.474 0.759 0.379 CB 1.546 30 residues pruned to eliminate duplicates Z: 6 12.854 1.771 0.609 0.869 1.000 0.800 O 1.474 Z: 8 2.577 1.779 -0.052 0.426 0.857 0.429 CB 0.728 8 residues pruned to eliminate duplicates Z: 13 20.242 1.813 0.861 0.853 0.917 0.417 CB 1.396 13 residues pruned to eliminate duplicates Z: 7 3.134 1.602 0.219 0.392 0.833 0.333 CB 0.881 7 residues pruned to eliminate duplicates 6 1.399 1.398 0.494 0.465 0.800 0.800 CB 0.388 ? 6 1.139 1.017 0.406 0.377 0.800 0.600 O 0.508 ? Z: 6 6.648 1.608 0.550 0.652 1.000 0.400 CA 1.035 6 residues pruned to eliminate duplicates Z: 7 6.672 1.840 0.753 0.368 0.667 0.667 CB 1.459 7 residues pruned to eliminate duplicates Z: 32 14.998 1.809 0.281 0.518 0.903 0.548 CB 1.265 32 residues pruned to eliminate duplicates Z: 13 13.749 1.924 0.626 0.550 0.833 0.667 CA 1.450 13 residues pruned to eliminate duplicates Z: 6 7.766 1.876 0.127 0.630 1.000 0.600 CA 1.452 7 residues pruned to eliminate duplicates Z: 13 7.286 1.726 0.336 0.476 0.833 0.667 CB 1.121 13 residues pruned to eliminate duplicates Z: 16 8.536 1.684 0.294 0.468 0.867 0.667 CA 1.206 16 residues pruned to eliminate duplicates Z: 22 14.902 1.987 0.233 0.500 0.905 0.667 CA 1.466 22 residues pruned to eliminate duplicates Z: 15 6.153 1.686 0.494 0.432 0.643 0.357 CB 1.090 15 residues pruned to eliminate duplicates 8 1.700 1.644 -0.068 0.152 0.571 0.286 CB 1.127 ? Z: 7 3.298 1.548 -0.138 0.475 0.833 0.500 N 1.243 Z: 12 6.429 1.846 0.084 0.475 0.818 0.455 CB 1.215 12 residues pruned to eliminate duplicates Z: 7 2.999 1.491 0.390 0.360 0.833 0.667 N 0.825 Z: 40 16.291 1.920 0.181 0.472 0.872 0.615 CB 1.358 40 residues pruned to eliminate duplicates Z: 8 4.973 1.861 0.416 0.223 0.857 0.429 CA 1.151 Z: 40 17.919 1.874 0.453 0.395 0.897 0.590 CB 1.312 40 residues pruned to eliminate duplicates Z: 25 13.172 1.922 0.583 0.353 0.833 0.625 CB 1.244 25 residues pruned to eliminate duplicates Z: 10 6.775 1.982 0.290 0.468 0.778 0.778 CB 1.173 10 residues pruned to eliminate duplicates Z: 26 17.591 1.944 0.403 0.494 0.920 0.600 CA 1.410 27 residues pruned to eliminate duplicates Z: 9 12.116 1.831 0.506 0.658 1.000 0.750 CB 1.341 9 residues pruned to eliminate duplicates Z: 6 2.681 1.294 0.730 0.487 0.800 0.800 CA 0.678 10 1.991 1.566 -0.051 0.247 0.556 0.222 CB 1.077 ? Z: 7 3.898 1.494 0.482 0.406 0.667 0.667 N 1.191 6 1.897 1.381 0.291 0.534 0.800 0.400 CB 0.575 ? Using tripeptides from previous cycle as seeds Z: 14 11.293 1.767 0.509 0.543 0.846 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 15 13.922 1.760 0.491 0.576 1.000 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 14 12.978 1.851 0.738 0.555 0.846 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 35 15.902 1.890 0.702 0.324 0.794 0.559 CB 1.296 51 residues pruned to eliminate duplicates Z: 7 8.224 1.594 0.674 0.478 1.000 0.667 N 1.286 Z: 10 5.070 1.217 0.973 0.544 0.778 0.444 CB 0.867 Z: 6 6.860 1.596 0.523 0.564 1.000 0.400 CA 1.186 10 residues pruned to eliminate duplicates Z: 6 2.545 1.547 0.340 0.448 0.800 0.600 CA 0.725 3 residues pruned to eliminate duplicates Z: 6 4.164 1.497 0.370 0.475 1.000 1.000 CA 0.932 6 residues pruned to eliminate duplicates Z: 7 4.922 1.650 0.212 0.694 1.000 0.333 CB 0.842 7 residues pruned to eliminate duplicates Z: 11 3.611 1.778 0.230 0.372 0.700 0.200 CB 0.855 11 residues pruned to eliminate duplicates Z: 11 5.282 1.748 0.245 0.502 0.800 0.200 CB 0.957 11 residues pruned to eliminate duplicates Z: 8 3.775 1.853 0.235 0.373 0.714 0.429 CB 1.000 8 residues pruned to eliminate duplicates Z: 7 2.626 1.884 0.338 0.436 0.667 0.500 CB 0.681 7 residues pruned to eliminate duplicates Z: 10 4.007 1.781 0.535 0.382 0.667 0.222 CB 0.831 10 residues pruned to eliminate duplicates Z: 10 15.269 1.892 0.790 0.544 1.000 0.667 CB 1.439 Z: 7 7.344 1.797 0.590 0.406 0.833 0.500 N 1.390 7 residues pruned to eliminate duplicates Z: 10 5.571 1.829 0.754 0.185 0.778 0.333 CA 1.087 10 residues pruned to eliminate duplicates Z: 18 7.567 1.712 0.398 0.382 0.941 0.412 CB 0.924 17 residues pruned to eliminate duplicates Z: 7 5.387 1.493 0.592 0.672 0.833 0.333 N 0.948 7 residues pruned to eliminate duplicates Z: 9 11.995 1.996 0.535 0.512 1.000 0.750 CA 1.367 9 residues pruned to eliminate duplicates Z: 10 9.761 1.933 0.723 0.340 0.889 0.556 CA 1.307 10 residues pruned to eliminate duplicates Z: 11 12.064 1.943 0.770 0.487 0.800 0.500 CA 1.405 11 residues pruned to eliminate duplicates Z: 9 6.712 1.794 0.361 0.426 0.875 0.375 CB 1.200 9 residues pruned to eliminate duplicates Z: 25 17.783 1.911 0.492 0.457 0.958 0.542 CA 1.388 25 residues pruned to eliminate duplicates Z: 10 9.107 1.829 0.636 0.447 0.778 0.222 CB 1.378 10 residues pruned to eliminate duplicates Z: 26 22.097 1.975 0.566 0.492 0.960 0.680 CA 1.501 26 residues pruned to eliminate duplicates Z: 12 8.752 1.902 0.358 0.371 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 21 14.860 2.002 0.578 0.368 0.850 0.750 CB 1.426 21 residues pruned to eliminate duplicates Z: 27 18.465 1.921 0.547 0.428 0.923 0.577 CB 1.423 27 residues pruned to eliminate duplicates Z: 28 15.052 1.895 0.432 0.421 0.852 0.593 CA 1.360 28 residues pruned to eliminate duplicates Z: 27 18.122 1.923 0.419 0.482 0.923 0.615 CA 1.438 27 residues pruned to eliminate duplicates Z: 20 11.683 1.798 0.622 0.387 0.842 0.632 CA 1.230 20 residues pruned to eliminate duplicates Z: 27 13.712 1.861 0.463 0.362 0.846 0.577 CA 1.354 27 residues pruned to eliminate duplicates Z: 10 11.304 1.908 0.580 0.523 0.889 0.889 CA 1.374 10 residues pruned to eliminate duplicates Z: 26 16.784 1.924 0.470 0.471 0.840 0.600 CA 1.456 26 residues pruned to eliminate duplicates Z: 27 17.247 1.894 0.547 0.463 0.885 0.500 CA 1.356 27 residues pruned to eliminate duplicates Z: 26 19.920 1.978 0.510 0.503 0.920 0.720 CB 1.445 26 residues pruned to eliminate duplicates Z: 28 16.591 1.852 0.557 0.478 0.889 0.556 CB 1.274 28 residues pruned to eliminate duplicates Z: 23 15.818 2.034 0.494 0.397 0.864 0.500 CA 1.433 23 residues pruned to eliminate duplicates Z: 26 15.316 1.931 0.442 0.406 0.920 0.520 CA 1.319 26 residues pruned to eliminate duplicates Z: 25 16.136 1.929 0.462 0.356 0.958 0.375 CA 1.423 25 residues pruned to eliminate duplicates Z: 19 10.986 1.615 0.555 0.456 0.889 0.611 CA 1.213 19 residues pruned to eliminate duplicates Z: 14 5.463 1.661 0.324 0.356 0.769 0.385 CB 1.045 13 residues pruned to eliminate duplicates Z: 6 6.163 1.816 0.757 0.594 0.800 0.600 CB 0.987 6 residues pruned to eliminate duplicates Z: 10 5.043 1.811 0.509 0.371 0.778 0.556 CA 0.908 10 residues pruned to eliminate duplicates Z: 6 5.628 1.898 0.798 0.385 0.800 0.800 CA 1.041 6 residues pruned to eliminate duplicates Z: 17 12.780 1.914 0.481 0.499 0.938 0.500 CB 1.204 18 residues pruned to eliminate duplicates Z: 9 4.108 1.747 0.662 0.375 0.875 0.250 CA 0.653 9 residues pruned to eliminate duplicates Z: 15 7.835 1.872 0.285 0.390 0.786 0.500 CB 1.245 15 residues pruned to eliminate duplicates Z: 16 7.493 1.812 0.257 0.352 0.800 0.467 CB 1.246 16 residues pruned to eliminate duplicates Z: 16 9.090 1.919 0.230 0.348 0.867 0.533 CB 1.353 27 residues pruned to eliminate duplicates Z: 15 10.054 1.907 0.427 0.393 0.929 0.643 CB 1.191 15 residues pruned to eliminate duplicates Z: 6 2.886 1.388 0.668 0.405 0.600 0.400 C 1.027 6 residues pruned to eliminate duplicates Z: 19 9.704 1.813 0.383 0.389 0.833 0.611 CB 1.231 19 residues pruned to eliminate duplicates Z: 13 7.022 1.903 0.365 0.417 0.750 0.583 CB 1.135 13 residues pruned to eliminate duplicates Z: 13 7.350 1.888 0.201 0.408 0.917 0.583 CB 1.124 13 residues pruned to eliminate duplicates Z: 10 6.651 1.895 0.647 0.369 0.778 0.333 CA 1.051 9 residues pruned to eliminate duplicates Z: 6 3.845 1.651 0.068 0.448 0.800 0.400 N 1.286 6 residues pruned to eliminate duplicates Z: 27 15.848 1.859 0.305 0.397 1.000 0.654 CB 1.428 27 residues pruned to eliminate duplicates Z: 31 16.599 1.964 0.313 0.426 0.933 0.567 CA 1.359 31 residues pruned to eliminate duplicates Z: 17 12.317 1.995 0.254 0.388 1.000 0.562 CB 1.386 17 residues pruned to eliminate duplicates Z: 20 12.315 1.935 0.351 0.412 0.895 0.579 CB 1.324 20 residues pruned to eliminate duplicates Z: 28 17.526 1.962 0.382 0.403 0.963 0.519 CA 1.431 28 residues pruned to eliminate duplicates Z: 29 17.544 1.965 0.423 0.418 0.964 0.536 CB 1.340 29 residues pruned to eliminate duplicates Z: 26 14.501 1.936 0.217 0.425 0.960 0.640 CA 1.386 26 residues pruned to eliminate duplicates Z: 30 18.637 1.960 0.417 0.419 1.000 0.621 CA 1.356 30 residues pruned to eliminate duplicates Z: 30 15.908 1.978 0.333 0.402 0.931 0.621 CB 1.335 30 residues pruned to eliminate duplicates Z: 29 17.550 1.980 0.365 0.408 0.964 0.536 CB 1.401 29 residues pruned to eliminate duplicates Z: 31 17.772 1.948 0.391 0.447 0.967 0.633 CB 1.308 31 residues pruned to eliminate duplicates Z: 31 14.775 1.910 0.334 0.430 0.900 0.567 CB 1.264 31 residues pruned to eliminate duplicates Z: 29 18.293 1.953 0.359 0.444 1.000 0.500 CB 1.379 29 residues pruned to eliminate duplicates Z: 29 16.521 1.945 0.412 0.405 0.929 0.536 CB 1.353 29 residues pruned to eliminate duplicates Z: 31 15.712 1.894 0.431 0.385 0.933 0.500 CB 1.282 31 residues pruned to eliminate duplicates Z: 23 14.422 1.880 0.520 0.392 0.955 0.636 CB 1.264 23 residues pruned to eliminate duplicates Z: 30 15.103 1.949 0.341 0.423 0.897 0.448 CB 1.296 30 residues pruned to eliminate duplicates Z: 30 15.147 1.918 0.327 0.383 0.931 0.517 CA 1.344 30 residues pruned to eliminate duplicates Z: 36 16.461 1.889 0.284 0.427 0.943 0.571 CB 1.312 36 residues pruned to eliminate duplicates Z: 34 16.782 1.870 0.377 0.420 0.970 0.606 CB 1.272 34 residues pruned to eliminate duplicates Z: 31 17.572 1.936 0.385 0.414 0.967 0.567 CB 1.355 31 residues pruned to eliminate duplicates Z: 31 15.885 1.945 0.300 0.412 0.933 0.567 CB 1.348 31 residues pruned to eliminate duplicates Z: 30 15.799 1.963 0.265 0.422 0.931 0.517 CB 1.376 30 residues pruned to eliminate duplicates Z: 36 24.628 2.058 0.455 0.490 0.971 0.657 CB 1.445 36 residues pruned to eliminate duplicates Z: 8 6.910 1.682 0.929 0.398 0.714 0.429 CB 1.254 8 residues pruned to eliminate duplicates Z: 36 22.603 2.018 0.445 0.450 0.971 0.543 CA 1.419 36 residues pruned to eliminate duplicates Z: 37 23.304 2.025 0.435 0.508 0.944 0.583 CA 1.404 37 residues pruned to eliminate duplicates Z: 6 5.372 1.783 0.395 0.462 0.800 0.200 CA 1.256 6 residues pruned to eliminate duplicates Z: 15 13.651 2.002 0.540 0.338 1.000 0.500 CB 1.412 15 residues pruned to eliminate duplicates Z: 17 13.858 1.934 0.466 0.361 1.000 0.438 CB 1.418 17 residues pruned to eliminate duplicates Z: 36 23.225 2.070 0.432 0.450 0.943 0.629 CB 1.479 36 residues pruned to eliminate duplicates Z: 39 21.196 1.989 0.406 0.451 0.895 0.553 CB 1.445 39 residues pruned to eliminate duplicates Z: 50 18.408 1.920 0.328 0.405 0.898 0.510 CA 1.268 50 residues pruned to eliminate duplicates Z: 37 24.341 2.016 0.491 0.499 0.944 0.556 CA 1.431 37 residues pruned to eliminate duplicates Z: 37 22.942 2.013 0.485 0.474 0.944 0.583 CA 1.391 37 residues pruned to eliminate duplicates Z: 36 19.491 2.032 0.431 0.433 0.886 0.514 CA 1.372 36 residues pruned to eliminate duplicates Z: 37 23.851 2.039 0.430 0.462 0.944 0.611 CB 1.500 37 residues pruned to eliminate duplicates Z: 37 21.345 2.030 0.472 0.461 0.861 0.500 CA 1.438 37 residues pruned to eliminate duplicates Z: 6 3.245 1.686 0.295 0.322 0.800 0.400 CA 1.012 6 residues pruned to eliminate duplicates Z: 36 25.038 2.071 0.456 0.494 0.943 0.514 CA 1.497 36 residues pruned to eliminate duplicates Z: 26 18.282 2.048 0.610 0.496 0.880 0.520 CB 1.265 26 residues pruned to eliminate duplicates Z: 25 18.038 2.045 0.436 0.504 0.875 0.583 CA 1.426 25 residues pruned to eliminate duplicates Z: 37 23.913 2.018 0.512 0.479 0.944 0.639 CB 1.413 37 residues pruned to eliminate duplicates Z: 33 13.881 1.924 0.457 0.334 0.812 0.500 CB 1.291 33 residues pruned to eliminate duplicates Z: 10 4.540 1.693 0.435 0.261 0.889 0.444 CA 0.921 9 residues pruned to eliminate duplicates Z: 6 3.062 1.499 0.224 0.297 1.000 0.400 CA 0.937 6 residues pruned to eliminate duplicates Z: 15 7.795 1.968 0.337 0.349 0.786 0.571 CB 1.188 15 residues pruned to eliminate duplicates Z: 17 10.422 1.962 0.437 0.398 0.812 0.438 CB 1.267 17 residues pruned to eliminate duplicates Z: 14 10.339 2.024 0.466 0.370 0.846 0.692 CB 1.313 14 residues pruned to eliminate duplicates Z: 22 13.791 1.956 0.495 0.413 0.857 0.619 CB 1.316 23 residues pruned to eliminate duplicates Z: 7 8.005 1.733 0.515 0.496 1.000 0.667 CB 1.251 7 residues pruned to eliminate duplicates Z: 19 8.600 1.890 0.342 0.327 0.778 0.556 CB 1.242 19 residues pruned to eliminate duplicates Z: 24 12.662 2.009 0.527 0.346 0.826 0.435 CB 1.232 24 residues pruned to eliminate duplicates Z: 24 12.603 1.994 0.578 0.369 0.739 0.391 CB 1.301 24 residues pruned to eliminate duplicates Z: 26 11.551 1.922 0.321 0.302 0.840 0.440 CB 1.350 26 residues pruned to eliminate duplicates Z: 33 9.101 1.806 0.346 0.222 0.719 0.500 CB 1.275 33 residues pruned to eliminate duplicates Z: 24 11.731 1.975 0.567 0.345 0.783 0.565 CB 1.195 24 residues pruned to eliminate duplicates Z: 11 8.171 1.799 1.030 0.365 0.800 0.300 CB 1.022 11 residues pruned to eliminate duplicates Z: 12 7.302 1.823 0.441 0.365 0.818 0.364 CA 1.184 12 residues pruned to eliminate duplicates Z: 15 7.983 1.767 0.409 0.348 0.714 0.214 CB 1.415 15 residues pruned to eliminate duplicates Z: 15 10.546 1.809 0.352 0.529 0.857 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 13 9.416 1.800 0.494 0.473 0.750 0.500 CB 1.385 13 residues pruned to eliminate duplicates Z: 11 5.139 1.936 0.223 0.335 0.700 0.600 CA 1.175 11 residues pruned to eliminate duplicates Z: 6 2.783 1.608 0.026 0.334 0.800 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 81 37.800 2.033 0.480 0.502 0.900 0.488 CA 1.558 81 residues pruned to eliminate duplicates Z: 33 24.880 2.102 0.404 0.632 0.938 0.719 CA 1.404 33 residues pruned to eliminate duplicates Z: 78 36.635 2.023 0.466 0.561 0.922 0.623 CA 1.439 77 residues pruned to eliminate duplicates Z: 20 26.523 2.131 0.350 0.837 1.000 0.684 CA 1.581 20 residues pruned to eliminate duplicates Z: 42 31.420 2.116 0.358 0.691 0.976 0.610 CA 1.470 42 residues pruned to eliminate duplicates Z: 54 34.313 2.045 0.433 0.626 0.943 0.623 CA 1.514 54 residues pruned to eliminate duplicates Z: 54 33.747 2.087 0.389 0.609 0.943 0.585 CA 1.529 54 residues pruned to eliminate duplicates Z: 85 37.068 2.041 0.472 0.521 0.869 0.560 CA 1.516 85 residues pruned to eliminate duplicates Z: 73 35.231 2.071 0.424 0.528 0.931 0.486 CA 1.472 73 residues pruned to eliminate duplicates Z: 75 37.057 2.073 0.487 0.572 0.905 0.541 CA 1.439 76 residues pruned to eliminate duplicates Z: 15 19.291 2.047 0.549 0.885 0.929 0.500 CA 1.264 15 residues pruned to eliminate duplicates Z: 48 34.260 2.097 0.573 0.638 0.915 0.447 CA 1.455 48 residues pruned to eliminate duplicates Z: 48 33.069 2.036 0.456 0.627 0.957 0.681 CA 1.508 48 residues pruned to eliminate duplicates Z: 37 26.489 2.048 0.514 0.609 0.917 0.611 CA 1.401 37 residues pruned to eliminate duplicates Z: 48 28.677 2.039 0.502 0.589 0.915 0.681 CA 1.371 48 residues pruned to eliminate duplicates Z: 77 41.477 2.076 0.565 0.533 0.934 0.618 CA 1.518 77 residues pruned to eliminate duplicates Z: 65 29.414 2.017 0.465 0.467 0.891 0.469 CB 1.444 65 residues pruned to eliminate duplicates Z: 40 28.093 2.065 0.455 0.619 0.949 0.538 CA 1.410 40 residues pruned to eliminate duplicates Z: 19 24.187 2.146 0.428 0.838 0.944 0.667 CA 1.473 19 residues pruned to eliminate duplicates Z: 53 33.284 2.068 0.566 0.604 0.885 0.596 CA 1.459 53 residues pruned to eliminate duplicates Z: 53 33.358 2.076 0.437 0.632 0.923 0.558 CA 1.484 53 residues pruned to eliminate duplicates Z: 66 39.592 2.097 0.563 0.569 0.954 0.538 CA 1.469 66 residues pruned to eliminate duplicates Z: 49 40.248 2.096 0.637 0.669 0.958 0.542 CA 1.511 49 residues pruned to eliminate duplicates Z: 88 41.393 2.046 0.453 0.562 0.943 0.575 CA 1.491 87 residues pruned to eliminate duplicates Z: 22 22.485 1.997 0.462 0.772 0.905 0.429 CA 1.461 22 residues pruned to eliminate duplicates Z: 29 18.252 1.929 0.592 0.563 0.929 0.464 CB 1.138 29 residues pruned to eliminate duplicates Z: 47 27.877 2.066 0.448 0.489 0.935 0.565 CB 1.486 47 residues pruned to eliminate duplicates Z: 60 42.500 2.123 0.557 0.593 0.949 0.542 CA 1.613 60 residues pruned to eliminate duplicates Z: 62 24.414 1.924 0.555 0.442 0.836 0.525 CB 1.326 62 residues pruned to eliminate duplicates Z: 72 40.551 2.066 0.521 0.574 0.930 0.704 CB 1.535 72 residues pruned to eliminate duplicates Z: 10 13.872 2.101 0.641 0.836 0.778 0.667 CB 1.291 10 residues pruned to eliminate duplicates Z: 49 36.683 2.120 0.552 0.631 0.938 0.646 CA 1.518 49 residues pruned to eliminate duplicates Z: 58 43.275 2.110 0.724 0.593 0.947 0.474 CA 1.521 58 residues pruned to eliminate duplicates Z: 56 44.343 2.101 0.691 0.622 0.945 0.582 CA 1.587 56 residues pruned to eliminate duplicates Z: 77 39.452 2.051 0.583 0.538 0.921 0.539 CA 1.458 77 residues pruned to eliminate duplicates Z: 35 34.690 2.083 0.589 0.717 0.971 0.529 CB 1.521 35 residues pruned to eliminate duplicates Z: 42 24.887 2.041 0.522 0.474 0.878 0.512 CB 1.464 42 residues pruned to eliminate duplicates Z: 79 39.784 2.062 0.568 0.518 0.910 0.564 CA 1.502 79 residues pruned to eliminate duplicates Z: 40 27.494 2.077 0.572 0.481 0.923 0.564 CB 1.489 40 residues pruned to eliminate duplicates Z: 31 21.554 2.074 0.535 0.401 0.900 0.533 CA 1.524 31 residues pruned to eliminate duplicates Z: 44 26.762 2.065 0.556 0.491 0.860 0.512 CB 1.489 44 residues pruned to eliminate duplicates Z: 39 29.596 2.086 0.698 0.461 0.921 0.553 CB 1.532 39 residues pruned to eliminate duplicates Z: 67 41.656 2.110 0.601 0.546 0.939 0.530 CA 1.544 67 residues pruned to eliminate duplicates Z: 78 43.003 2.095 0.527 0.537 0.948 0.532 CB 1.559 78 residues pruned to eliminate duplicates Z: 72 40.175 2.096 0.525 0.558 0.915 0.521 CA 1.540 72 residues pruned to eliminate duplicates Z: 24 21.402 2.130 0.738 0.321 0.913 0.348 CA 1.609 24 residues pruned to eliminate duplicates Z: 24 18.986 2.156 0.549 0.337 0.826 0.391 CA 1.715 24 residues pruned to eliminate duplicates Z: 30 21.341 2.091 0.580 0.392 0.862 0.552 CA 1.559 30 residues pruned to eliminate duplicates Z: 77 39.941 2.077 0.529 0.528 0.908 0.526 CA 1.545 77 residues pruned to eliminate duplicates Z: 18 18.119 2.096 0.620 0.336 0.941 0.412 CA 1.646 18 residues pruned to eliminate duplicates Z: 43 32.594 2.103 0.569 0.551 0.929 0.643 CB 1.562 46 residues pruned to eliminate duplicates Z: 7 5.770 1.560 0.626 0.368 1.000 0.500 CA 1.071 7 residues pruned to eliminate duplicates Z: 67 34.081 2.074 0.531 0.492 0.879 0.439 CA 1.515 67 residues pruned to eliminate duplicates Z: 61 39.850 2.044 0.688 0.544 0.900 0.467 CA 1.587 61 residues pruned to eliminate duplicates Z: 39 25.123 2.049 0.573 0.416 0.895 0.447 CB 1.543 39 residues pruned to eliminate duplicates Z: 27 19.055 2.017 0.641 0.304 0.885 0.385 CB 1.587 27 residues pruned to eliminate duplicates Z: 82 40.295 2.071 0.566 0.537 0.901 0.531 CA 1.477 82 residues pruned to eliminate duplicates Z: 33 18.472 1.982 0.477 0.397 0.812 0.562 CA 1.531 30 residues pruned to eliminate duplicates Z: 9 12.270 2.001 0.310 0.697 1.000 0.375 CB 1.382 13 residues pruned to eliminate duplicates Z: 9 8.546 1.886 0.610 0.674 0.625 0.375 CA 1.357 9 residues pruned to eliminate duplicates Z: 31 25.556 2.066 0.659 0.424 0.900 0.633 CA 1.636 29 residues pruned to eliminate duplicates Z: 9 12.751 1.841 0.739 0.826 0.875 0.750 CA 1.214 9 residues pruned to eliminate duplicates Z: 47 28.212 2.054 0.480 0.471 0.935 0.543 CB 1.507 47 residues pruned to eliminate duplicates Z: 26 16.514 1.981 0.490 0.440 0.880 0.560 CA 1.353 26 residues pruned to eliminate duplicates Z: 46 27.293 2.072 0.471 0.479 0.933 0.511 CA 1.461 46 residues pruned to eliminate duplicates Z: 96 37.698 2.042 0.455 0.479 0.895 0.589 CB 1.487 96 residues pruned to eliminate duplicates Z: 25 16.011 1.994 0.334 0.444 0.917 0.542 CA 1.420 25 residues pruned to eliminate duplicates Z: 27 13.481 1.956 0.468 0.392 0.808 0.538 CA 1.278 27 residues pruned to eliminate duplicates Z: 8 5.182 1.921 0.422 0.270 0.714 0.571 CA 1.304 6 residues pruned to eliminate duplicates Z: 6 2.959 1.559 0.029 0.282 0.800 0.600 C 1.319 6 residues pruned to eliminate duplicates Z: 12 17.196 2.054 0.623 0.545 1.000 0.545 CB 1.489 12 residues pruned to eliminate duplicates Z: 7 6.162 1.732 0.534 0.408 0.833 0.333 CA 1.252 7 residues pruned to eliminate duplicates Z: 12 12.872 2.005 0.582 0.533 0.818 0.545 CA 1.447 12 residues pruned to eliminate duplicates Z: 24 20.720 2.007 0.395 0.582 1.000 0.696 CA 1.426 24 residues pruned to eliminate duplicates Z: 6 3.329 1.630 0.609 0.261 0.800 0.400 CB 0.932 6 residues pruned to eliminate duplicates Z: 27 13.243 1.926 0.272 0.483 0.846 0.615 CB 1.274 27 residues pruned to eliminate duplicates Z: 24 17.952 2.032 0.300 0.544 0.957 0.609 CA 1.419 24 residues pruned to eliminate duplicates Z: 44 20.949 1.941 0.382 0.451 0.884 0.581 CB 1.417 44 residues pruned to eliminate duplicates Z: 40 18.547 1.993 0.213 0.428 0.923 0.590 CB 1.434 40 residues pruned to eliminate duplicates Z: 26 20.306 2.042 0.516 0.490 0.920 0.680 CA 1.440 27 residues pruned to eliminate duplicates Z: 6 3.364 1.713 0.181 0.357 1.000 0.600 CA 0.867 6 residues pruned to eliminate duplicates Z: 35 15.452 1.894 0.401 0.381 0.824 0.588 CB 1.377 35 residues pruned to eliminate duplicates Z: 34 18.833 1.969 0.357 0.459 0.939 0.576 CB 1.362 34 residues pruned to eliminate duplicates Z: 12 11.633 2.016 0.414 0.525 0.909 0.727 CA 1.321 12 residues pruned to eliminate duplicates Z: 15 7.657 1.908 0.272 0.439 0.857 0.571 CA 1.048 15 residues pruned to eliminate duplicates Z: 9 10.020 2.064 0.221 0.728 1.000 0.875 CA 1.145 9 residues pruned to eliminate duplicates Z: 21 9.730 1.919 0.423 0.288 0.800 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 33 17.934 1.844 0.565 0.519 0.875 0.531 CB 1.232 33 residues pruned to eliminate duplicates Z: 25 10.171 1.872 0.254 0.361 0.792 0.458 CB 1.297 25 residues pruned to eliminate duplicates Z: 32 16.822 1.929 0.346 0.463 0.871 0.581 CB 1.387 32 residues pruned to eliminate duplicates Z: 17 8.585 1.964 0.059 0.289 0.875 0.438 CB 1.495 17 residues pruned to eliminate duplicates Z: 21 14.669 1.881 0.415 0.458 0.850 0.550 CB 1.514 21 residues pruned to eliminate duplicates Z: 43 17.248 1.909 0.443 0.380 0.833 0.548 CB 1.318 40 residues pruned to eliminate duplicates Z: 6 5.762 1.807 0.094 0.571 0.800 0.400 CA 1.521 6 residues pruned to eliminate duplicates Z: 13 10.906 1.944 0.376 0.434 0.833 0.583 CB 1.511 13 residues pruned to eliminate duplicates Z: 18 7.767 1.880 0.353 0.232 0.824 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 13 7.920 1.794 0.270 0.383 0.833 0.583 CB 1.363 13 residues pruned to eliminate duplicates Z: 21 14.915 1.847 0.216 0.420 1.000 0.600 C 1.613 21 residues pruned to eliminate duplicates Z: 15 8.060 1.952 0.172 0.337 0.786 0.571 CB 1.431 15 residues pruned to eliminate duplicates Z: 14 8.088 1.885 0.343 0.245 0.923 0.385 CB 1.289 14 residues pruned to eliminate duplicates Z: 22 12.943 1.862 0.346 0.364 0.857 0.571 CB 1.522 22 residues pruned to eliminate duplicates Z: 22 12.907 1.803 0.315 0.320 0.905 0.524 CB 1.601 22 residues pruned to eliminate duplicates Z: 31 15.862 1.853 0.464 0.345 0.900 0.467 CB 1.403 31 residues pruned to eliminate duplicates Z: 13 17.355 1.801 0.698 0.666 1.000 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 17 14.046 1.808 0.597 0.449 0.812 0.500 N 1.577 17 residues pruned to eliminate duplicates Z: 20 14.346 1.870 0.452 0.414 0.842 0.474 CB 1.575 20 residues pruned to eliminate duplicates Z: 18 11.493 1.939 0.540 0.341 0.765 0.471 CA 1.451 18 residues pruned to eliminate duplicates Z: 29 12.199 1.832 0.338 0.316 0.857 0.429 CB 1.345 29 residues pruned to eliminate duplicates Z: 23 9.319 1.906 0.293 0.255 0.727 0.318 CB 1.467 23 residues pruned to eliminate duplicates Z: 24 13.006 1.910 0.381 0.279 0.826 0.217 CB 1.598 24 residues pruned to eliminate duplicates Z: 9 4.700 1.758 0.687 0.251 0.625 0.250 CA 1.194 9 residues pruned to eliminate duplicates Z: 22 9.056 1.866 0.199 0.379 0.905 0.429 CB 1.111 22 residues pruned to eliminate duplicates Z: 12 5.148 1.781 0.330 0.243 0.636 0.364 CA 1.385 12 residues pruned to eliminate duplicates Z: 9 4.659 1.797 0.532 0.218 0.625 0.375 CA 1.335 9 residues pruned to eliminate duplicates Z: 25 12.157 1.836 0.496 0.310 0.875 0.417 CA 1.274 25 residues pruned to eliminate duplicates Z: 18 9.159 1.867 0.400 0.362 0.765 0.353 CB 1.289 18 residues pruned to eliminate duplicates Z: 21 11.424 1.937 0.287 0.365 0.850 0.400 CB 1.393 21 residues pruned to eliminate duplicates Z: 12 6.177 1.881 -0.034 0.393 0.909 0.364 CA 1.263 12 residues pruned to eliminate duplicates Z: 21 10.710 1.909 0.320 0.347 0.850 0.450 CB 1.320 21 residues pruned to eliminate duplicates Z: 11 8.501 1.904 0.239 0.510 0.900 0.500 CA 1.253 11 residues pruned to eliminate duplicates Z: 13 6.271 1.918 0.029 0.369 1.000 0.333 CB 1.056 13 residues pruned to eliminate duplicates Z: 14 7.350 1.825 0.218 0.401 0.923 0.385 CB 1.103 14 residues pruned to eliminate duplicates Z: 13 8.302 1.930 0.195 0.388 0.917 0.333 CB 1.277 13 residues pruned to eliminate duplicates Z: 15 7.974 1.815 0.384 0.398 0.857 0.357 CA 1.103 15 residues pruned to eliminate duplicates Z: 29 13.414 1.916 0.376 0.315 0.821 0.429 CA 1.436 29 residues pruned to eliminate duplicates Z: 30 15.612 1.983 0.399 0.441 0.793 0.379 CB 1.400 30 residues pruned to eliminate duplicates Z: 14 9.046 1.949 0.473 0.330 0.846 0.385 CA 1.243 14 residues pruned to eliminate duplicates Z: 29 12.789 1.857 0.501 0.264 0.821 0.500 CB 1.382 29 residues pruned to eliminate duplicates Z: 29 12.255 1.889 0.331 0.345 0.893 0.321 CA 1.220 29 residues pruned to eliminate duplicates Z: 19 13.612 1.974 0.534 0.409 0.778 0.389 CA 1.498 19 residues pruned to eliminate duplicates Z: 6 3.601 1.704 0.424 0.308 0.800 0.800 CA 1.028 6 residues pruned to eliminate duplicates Z: 17 9.589 1.984 0.348 0.334 0.750 0.438 CB 1.434 17 residues pruned to eliminate duplicates Z: 29 14.822 2.013 0.437 0.371 0.786 0.464 CA 1.416 29 residues pruned to eliminate duplicates Z: 16 11.843 2.073 0.539 0.340 0.733 0.400 CB 1.556 16 residues pruned to eliminate duplicates Z: 23 11.073 2.027 0.462 0.259 0.682 0.273 CB 1.538 25 residues pruned to eliminate duplicates Z: 7 11.700 1.718 1.173 0.465 1.000 0.833 CB 1.325 7 residues pruned to eliminate duplicates Z: 16 11.872 2.081 0.386 0.391 0.800 0.600 CA 1.490 16 residues pruned to eliminate duplicates Z: 16 11.491 1.951 0.563 0.372 0.867 0.533 CB 1.288 16 residues pruned to eliminate duplicates Z: 17 7.525 2.023 0.191 0.312 0.625 0.375 CB 1.539 17 residues pruned to eliminate duplicates Z: 54 22.127 1.957 0.410 0.359 0.868 0.453 CB 1.478 54 residues pruned to eliminate duplicates Z: 15 9.909 2.126 0.414 0.358 0.714 0.429 CA 1.438 15 residues pruned to eliminate duplicates Z: 42 15.575 1.962 0.453 0.285 0.780 0.366 CB 1.393 42 residues pruned to eliminate duplicates Z: 40 25.427 2.067 0.414 0.509 0.846 0.564 CB 1.632 40 residues pruned to eliminate duplicates Z: 45 22.970 2.041 0.342 0.420 0.841 0.500 CA 1.634 45 residues pruned to eliminate duplicates Z: 9 5.620 1.936 0.392 0.247 0.750 0.250 N 1.317 9 residues pruned to eliminate duplicates Z: 8 5.814 1.814 0.462 0.243 0.857 0.143 N 1.302 8 residues pruned to eliminate duplicates Z: 12 7.135 1.745 0.607 0.237 0.727 0.273 CB 1.431 12 residues pruned to eliminate duplicates Z: 25 12.531 2.054 0.260 0.279 0.750 0.458 CB 1.693 25 residues pruned to eliminate duplicates Z: 8 7.603 2.213 0.421 0.254 0.714 0.429 CA 1.697 8 residues pruned to eliminate duplicates Z: 31 25.562 2.053 0.365 0.579 0.933 0.567 CB 1.653 31 residues pruned to eliminate duplicates Z: 26 12.931 2.105 0.240 0.309 0.760 0.360 CA 1.611 26 residues pruned to eliminate duplicates Z: 26 28.551 2.105 0.349 0.725 1.000 0.840 CB 1.640 26 residues pruned to eliminate duplicates Z: 32 25.913 2.139 0.319 0.605 0.839 0.645 CB 1.780 32 residues pruned to eliminate duplicates Z: 25 22.822 2.089 0.362 0.641 0.875 0.667 CB 1.640 25 residues pruned to eliminate duplicates Z: 25 25.902 2.132 0.217 0.719 1.000 0.875 CB 1.672 25 residues pruned to eliminate duplicates Z: 48 24.038 2.048 0.433 0.338 0.915 0.532 CA 1.557 48 residues pruned to eliminate duplicates Z: 18 17.288 2.067 0.600 0.403 0.941 0.588 CA 1.492 18 residues pruned to eliminate duplicates Z: 27 25.431 2.135 0.446 0.573 0.923 0.692 CA 1.632 27 residues pruned to eliminate duplicates Z: 19 22.490 2.128 0.342 0.657 1.000 0.722 CA 1.605 19 residues pruned to eliminate duplicates Z: 31 27.772 2.112 0.431 0.608 0.867 0.700 CA 1.747 31 residues pruned to eliminate duplicates Z: 27 25.830 2.053 0.327 0.691 0.923 0.692 CA 1.692 27 residues pruned to eliminate duplicates Z: 17 25.867 2.263 0.370 0.832 1.000 0.812 CB 1.567 17 residues pruned to eliminate duplicates Z: 47 23.237 2.104 0.351 0.446 0.761 0.478 CB 1.675 47 residues pruned to eliminate duplicates Z: 30 30.826 2.136 0.581 0.595 0.897 0.621 CB 1.726 30 residues pruned to eliminate duplicates Z: 30 21.979 2.071 0.326 0.584 0.862 0.586 CB 1.591 30 residues pruned to eliminate duplicates Z: 25 24.432 2.080 0.383 0.644 0.917 0.625 CB 1.653 25 residues pruned to eliminate duplicates Z: 30 30.974 2.172 0.479 0.650 0.862 0.655 CB 1.805 30 residues pruned to eliminate duplicates Z: 25 31.071 2.138 0.660 0.683 0.958 0.750 CB 1.576 25 residues pruned to eliminate duplicates Z: 43 29.901 2.143 0.485 0.522 0.833 0.500 CB 1.703 43 residues pruned to eliminate duplicates Z: 33 25.748 2.041 0.609 0.559 0.812 0.625 CB 1.612 33 residues pruned to eliminate duplicates Z: 57 38.769 2.150 0.643 0.545 0.893 0.589 CB 1.572 57 residues pruned to eliminate duplicates Z: 22 19.312 2.090 0.444 0.652 0.810 0.429 CB 1.497 22 residues pruned to eliminate duplicates Z: 58 40.336 2.148 0.657 0.558 0.912 0.561 CB 1.555 58 residues pruned to eliminate duplicates Z: 35 25.130 2.140 0.536 0.472 0.941 0.529 CB 1.434 35 residues pruned to eliminate duplicates Z: 25 25.754 2.136 0.604 0.624 0.875 0.458 CB 1.559 25 residues pruned to eliminate duplicates Z: 33 26.405 2.145 0.525 0.480 0.938 0.500 CB 1.553 33 residues pruned to eliminate duplicates Z: 33 25.984 2.167 0.456 0.463 0.938 0.469 CB 1.613 33 residues pruned to eliminate duplicates Z: 34 23.714 2.174 0.464 0.448 0.939 0.545 CB 1.457 34 residues pruned to eliminate duplicates Z: 33 28.207 2.213 0.606 0.461 0.969 0.531 CB 1.508 33 residues pruned to eliminate duplicates Z: 35 23.754 2.115 0.534 0.444 0.912 0.500 CB 1.460 35 residues pruned to eliminate duplicates Z: 30 27.655 2.167 0.838 0.423 0.931 0.586 CB 1.501 30 residues pruned to eliminate duplicates Z: 30 25.365 2.137 0.689 0.412 0.931 0.586 CB 1.536 30 residues pruned to eliminate duplicates Z: 33 27.025 2.183 0.585 0.439 0.938 0.562 CB 1.569 33 residues pruned to eliminate duplicates Z: 30 25.568 2.133 0.771 0.446 0.931 0.414 CB 1.427 30 residues pruned to eliminate duplicates Z: 34 26.774 2.159 0.598 0.467 0.970 0.485 CB 1.440 34 residues pruned to eliminate duplicates Z: 32 25.616 2.196 0.561 0.437 0.968 0.516 CB 1.481 32 residues pruned to eliminate duplicates Z: 27 19.845 2.220 0.622 0.363 0.923 0.500 CB 1.356 27 residues pruned to eliminate duplicates Z: 26 25.597 2.264 0.659 0.500 0.920 0.640 CB 1.481 26 residues pruned to eliminate duplicates Z: 29 25.015 2.162 0.731 0.480 0.893 0.536 CB 1.444 29 residues pruned to eliminate duplicates Z: 28 21.023 2.168 0.507 0.319 0.963 0.556 CB 1.571 28 residues pruned to eliminate duplicates Z: 28 20.860 2.177 0.617 0.362 0.889 0.519 CB 1.488 28 residues pruned to eliminate duplicates Z: 32 22.458 2.111 0.606 0.387 0.871 0.452 CB 1.540 32 residues pruned to eliminate duplicates Z: 32 27.286 2.215 0.593 0.416 0.968 0.452 CB 1.566 32 residues pruned to eliminate duplicates Z: 31 18.462 2.106 0.750 0.281 0.833 0.400 CB 1.406 31 residues pruned to eliminate duplicates Z: 29 23.781 2.184 0.614 0.400 0.929 0.500 CB 1.526 29 residues pruned to eliminate duplicates Z: 30 23.110 2.156 0.552 0.389 0.966 0.448 CB 1.495 30 residues pruned to eliminate duplicates Z: 33 26.872 2.180 0.633 0.455 0.906 0.500 CB 1.543 33 residues pruned to eliminate duplicates Z: 34 19.720 2.077 0.747 0.326 0.818 0.485 CB 1.400 34 residues pruned to eliminate duplicates Z: 35 23.865 2.118 0.587 0.392 0.912 0.529 CB 1.496 35 residues pruned to eliminate duplicates Z: 29 24.775 2.203 0.651 0.401 0.929 0.607 CB 1.539 29 residues pruned to eliminate duplicates Z: 36 25.035 2.078 0.723 0.404 0.886 0.514 CB 1.476 36 residues pruned to eliminate duplicates Z: 27 26.088 2.254 0.609 0.444 0.962 0.538 CB 1.555 27 residues pruned to eliminate duplicates Z: 35 22.883 2.123 0.640 0.408 0.824 0.529 CB 1.507 35 residues pruned to eliminate duplicates Z: 28 23.941 2.212 0.674 0.415 0.926 0.519 CB 1.468 28 residues pruned to eliminate duplicates Z: 30 24.870 2.229 0.628 0.400 0.897 0.448 CB 1.577 30 residues pruned to eliminate duplicates Z: 13 5.889 1.882 0.368 0.167 0.833 0.333 CA 1.189 13 residues pruned to eliminate duplicates Z: 9 8.562 2.109 0.731 0.196 0.875 0.500 CB 1.362 14 residues pruned to eliminate duplicates Z: 6 3.577 1.441 0.615 0.301 0.800 0.400 CA 1.073 6 residues pruned to eliminate duplicates Z: 12 4.652 1.715 0.789 0.167 0.636 0.364 CB 1.077 12 residues pruned to eliminate duplicates Z: 8 8.023 2.069 0.837 0.206 0.857 0.714 CA 1.319 8 residues pruned to eliminate duplicates Z: 28 13.336 2.084 0.387 0.295 0.815 0.407 CB 1.371 28 residues pruned to eliminate duplicates Z: 43 21.144 1.963 0.574 0.353 0.857 0.476 CB 1.445 42 residues pruned to eliminate duplicates Z: 8 5.477 1.875 0.469 0.431 0.857 0.143 CB 0.941 8 residues pruned to eliminate duplicates Z: 29 15.088 2.022 0.424 0.324 0.857 0.536 CA 1.403 29 residues pruned to eliminate duplicates Z: 28 13.807 2.016 0.533 0.312 0.852 0.593 CA 1.243 28 residues pruned to eliminate duplicates Z: 18 15.494 2.067 0.643 0.419 0.882 0.529 CA 1.365 18 residues pruned to eliminate duplicates Z: 20 13.140 1.965 0.351 0.393 0.895 0.474 CA 1.422 20 residues pruned to eliminate duplicates Z: 24 13.105 1.867 0.354 0.359 0.826 0.478 CA 1.524 24 residues pruned to eliminate duplicates Z: 48 18.960 1.971 0.569 0.360 0.766 0.553 CB 1.358 48 residues pruned to eliminate duplicates Z: 26 14.051 2.098 0.411 0.287 0.840 0.560 CB 1.436 26 residues pruned to eliminate duplicates Z: 16 14.518 2.114 0.436 0.418 0.867 0.533 CB 1.552 16 residues pruned to eliminate duplicates Z: 19 12.131 1.977 0.289 0.402 0.833 0.611 CA 1.494 19 residues pruned to eliminate duplicates Z: 31 14.588 2.050 0.461 0.308 0.833 0.500 CB 1.320 31 residues pruned to eliminate duplicates Z: 44 16.410 1.985 0.440 0.325 0.791 0.558 CB 1.342 44 residues pruned to eliminate duplicates Z: 16 16.695 2.113 0.423 0.464 0.933 0.600 CA 1.593 16 residues pruned to eliminate duplicates Z: 10 6.107 1.728 0.372 0.403 0.778 0.333 CA 1.222 10 residues pruned to eliminate duplicates Z: 15 6.224 1.818 0.126 0.418 0.714 0.714 CB 1.240 15 residues pruned to eliminate duplicates Z: 29 14.309 2.053 0.458 0.295 0.821 0.500 CB 1.384 29 residues pruned to eliminate duplicates Z: 9 6.971 1.951 0.235 0.471 0.750 0.500 CA 1.404 9 residues pruned to eliminate duplicates Z: 28 14.897 2.049 0.589 0.302 0.815 0.481 CB 1.348 28 residues pruned to eliminate duplicates Z: 6 2.307 1.591 0.624 0.299 0.400 0.000 N 1.250 Z: 24 12.271 1.886 0.387 0.446 0.913 0.609 CB 1.132 30 residues pruned to eliminate duplicates Z: 34 15.853 1.839 0.510 0.425 0.818 0.485 CB 1.313 34 residues pruned to eliminate duplicates Z: 30 12.096 1.748 0.317 0.345 0.862 0.448 CB 1.339 30 residues pruned to eliminate duplicates Z: 30 11.554 1.822 0.414 0.383 0.828 0.483 CB 1.140 30 residues pruned to eliminate duplicates Z: 22 11.329 1.823 0.464 0.417 0.857 0.619 CB 1.179 22 residues pruned to eliminate duplicates Z: 13 12.989 1.983 0.322 0.503 1.000 0.667 CB 1.426 13 residues pruned to eliminate duplicates Z: 13 11.344 1.948 0.268 0.508 0.917 0.833 CB 1.435 13 residues pruned to eliminate duplicates Z: 18 11.418 1.937 0.311 0.485 0.824 0.647 CB 1.344 18 residues pruned to eliminate duplicates Z: 18 13.715 1.937 0.340 0.519 0.941 0.588 CB 1.336 18 residues pruned to eliminate duplicates Z: 24 12.349 1.859 0.402 0.402 0.870 0.522 CB 1.260 24 residues pruned to eliminate duplicates Z: 25 11.009 1.874 0.217 0.392 0.833 0.625 CB 1.325 25 residues pruned to eliminate duplicates Z: 15 12.501 1.922 0.394 0.511 0.929 0.500 CB 1.328 15 residues pruned to eliminate duplicates Z: 51 20.909 1.984 0.518 0.356 0.840 0.580 CB 1.365 51 residues pruned to eliminate duplicates Z: 15 12.567 1.822 0.499 0.446 0.929 0.643 CB 1.400 15 residues pruned to eliminate duplicates Z: 33 19.014 2.023 0.501 0.414 0.875 0.594 CB 1.384 33 residues pruned to eliminate duplicates Z: 6 7.542 1.947 0.617 0.736 1.000 0.800 CB 0.867 6 residues pruned to eliminate duplicates Z: 8 8.963 1.814 0.725 0.542 0.857 0.714 CB 1.212 8 residues pruned to eliminate duplicates Z: 6 6.896 1.945 0.678 0.571 0.800 0.600 CA 1.104 6 residues pruned to eliminate duplicates Z: 9 8.053 1.806 0.720 0.336 0.875 0.500 CB 1.254 9 residues pruned to eliminate duplicates Z: 9 6.799 1.735 0.583 0.447 0.750 0.375 CB 1.232 9 residues pruned to eliminate duplicates Z: 9 6.024 1.782 0.407 0.339 0.875 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 33 14.306 1.985 0.446 0.350 0.812 0.594 CB 1.275 33 residues pruned to eliminate duplicates Z: 53 15.662 1.904 0.365 0.356 0.788 0.519 CB 1.237 53 residues pruned to eliminate duplicates Z: 17 14.876 1.955 0.473 0.427 0.938 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 19 12.399 1.984 0.398 0.426 0.889 0.500 CB 1.280 19 residues pruned to eliminate duplicates Z: 31 20.108 1.909 0.582 0.430 0.833 0.567 CB 1.568 31 residues pruned to eliminate duplicates Z: 13 16.167 1.990 0.801 0.557 0.917 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 52 18.327 1.862 0.411 0.376 0.843 0.431 CB 1.322 52 residues pruned to eliminate duplicates Z: 21 13.540 2.025 0.374 0.416 0.900 0.650 CB 1.320 21 residues pruned to eliminate duplicates Z: 21 10.969 1.889 0.418 0.378 0.800 0.550 CB 1.304 21 residues pruned to eliminate duplicates Z: 18 11.398 1.961 0.323 0.428 0.824 0.647 CB 1.395 18 residues pruned to eliminate duplicates Z: 25 20.469 1.894 0.581 0.502 0.958 0.583 CB 1.454 25 residues pruned to eliminate duplicates Z: 16 13.464 2.072 0.392 0.478 0.867 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 20 12.026 1.894 0.489 0.395 0.789 0.526 CB 1.385 20 residues pruned to eliminate duplicates Z: 15 14.844 2.056 0.433 0.486 0.929 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 27 15.355 1.980 0.483 0.378 0.846 0.654 CB 1.382 27 residues pruned to eliminate duplicates Z: 13 8.410 2.027 0.461 0.298 0.750 0.333 CB 1.370 13 residues pruned to eliminate duplicates Z: 33 16.140 1.995 0.558 0.349 0.844 0.594 CB 1.281 33 residues pruned to eliminate duplicates Z: 12 6.980 1.925 0.387 0.376 0.727 0.727 CA 1.236 12 residues pruned to eliminate duplicates Z: 16 7.379 1.892 0.364 0.302 0.733 0.467 CB 1.254 16 residues pruned to eliminate duplicates Z: 97 48.991 2.131 0.581 0.565 0.927 0.677 CB 1.503 97 residues pruned to eliminate duplicates Z: 34 16.588 1.948 0.567 0.392 0.818 0.636 CB 1.296 34 residues pruned to eliminate duplicates Z: 13 6.067 1.943 0.298 0.304 0.667 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 27 16.776 1.975 0.561 0.464 0.808 0.654 CB 1.370 27 residues pruned to eliminate duplicates Z: 12 8.159 1.897 0.794 0.347 0.727 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 52 33.493 2.100 0.621 0.514 0.882 0.608 CB 1.540 52 residues pruned to eliminate duplicates Z: 82 42.902 2.126 0.607 0.529 0.926 0.630 CB 1.464 82 residues pruned to eliminate duplicates Z: 71 39.407 2.147 0.643 0.540 0.900 0.586 CB 1.427 71 residues pruned to eliminate duplicates Z: 31 42.515 2.220 0.809 0.776 1.000 0.867 CA 1.516 31 residues pruned to eliminate duplicates Z: 46 44.047 2.164 0.724 0.693 0.978 0.689 CB 1.508 46 residues pruned to eliminate duplicates Z: 26 28.941 2.146 0.677 0.614 0.960 0.600 CA 1.504 26 residues pruned to eliminate duplicates Z: 42 43.222 2.240 0.673 0.684 0.976 0.659 CB 1.559 42 residues pruned to eliminate duplicates Z: 34 38.550 2.192 0.775 0.656 0.970 0.727 CA 1.539 34 residues pruned to eliminate duplicates Z: 74 49.373 2.166 0.695 0.561 0.959 0.507 CB 1.548 74 residues pruned to eliminate duplicates Z: 39 40.620 2.195 0.752 0.704 0.921 0.658 CA 1.544 39 residues pruned to eliminate duplicates Z: 41 35.232 2.132 0.781 0.652 0.850 0.500 CA 1.498 41 residues pruned to eliminate duplicates Z: 41 41.920 2.146 0.800 0.658 0.925 0.650 CA 1.601 41 residues pruned to eliminate duplicates Z: 44 41.899 2.179 0.744 0.664 0.977 0.628 CA 1.478 44 residues pruned to eliminate duplicates Z: 69 44.522 2.098 0.662 0.615 0.971 0.706 CB 1.430 69 residues pruned to eliminate duplicates Z: 44 51.201 2.206 0.894 0.724 1.000 0.628 CB 1.527 44 residues pruned to eliminate duplicates Z: 70 50.897 2.180 0.645 0.612 0.971 0.609 CB 1.582 70 residues pruned to eliminate duplicates Z: 42 43.592 2.188 0.757 0.715 0.951 0.610 CA 1.532 42 residues pruned to eliminate duplicates Z: 30 45.547 2.230 0.968 0.728 0.966 0.483 CA 1.625 30 residues pruned to eliminate duplicates Z: 34 38.912 2.150 0.783 0.675 1.000 0.606 CA 1.503 34 residues pruned to eliminate duplicates Z: 43 44.967 2.191 0.716 0.693 0.976 0.667 CB 1.585 43 residues pruned to eliminate duplicates Z: 73 50.336 2.184 0.740 0.599 0.931 0.542 CB 1.526 73 residues pruned to eliminate duplicates Z: 33 38.082 2.182 0.822 0.648 0.969 0.438 CA 1.522 33 residues pruned to eliminate duplicates Z: 44 38.825 2.145 0.577 0.692 0.953 0.512 CA 1.540 44 residues pruned to eliminate duplicates Z: 81 52.467 2.148 0.739 0.583 0.938 0.512 CA 1.547 81 residues pruned to eliminate duplicates Z: 53 43.276 2.136 0.697 0.666 0.942 0.577 CB 1.506 53 residues pruned to eliminate duplicates Z: 81 51.704 2.148 0.671 0.587 0.963 0.562 CB 1.539 81 residues pruned to eliminate duplicates Z: 46 43.702 2.158 0.799 0.705 0.933 0.622 CB 1.492 46 residues pruned to eliminate duplicates Z: 42 48.936 2.216 0.815 0.710 0.976 0.463 CB 1.610 42 residues pruned to eliminate duplicates Z: 43 41.445 2.188 0.702 0.693 0.976 0.619 CB 1.475 43 residues pruned to eliminate duplicates Z: 48 38.048 2.131 0.702 0.610 0.936 0.447 CB 1.472 48 residues pruned to eliminate duplicates Z: 44 50.451 2.212 0.892 0.698 0.977 0.558 CB 1.571 44 residues pruned to eliminate duplicates Z: 52 44.176 2.139 0.751 0.652 0.941 0.510 CB 1.523 52 residues pruned to eliminate duplicates Z: 45 42.430 2.166 0.719 0.704 0.955 0.500 CB 1.495 45 residues pruned to eliminate duplicates Z: 44 40.646 2.157 0.853 0.605 0.953 0.372 CB 1.472 44 residues pruned to eliminate duplicates Z: 13 18.397 2.063 0.543 0.714 1.000 0.750 CA 1.374 13 residues pruned to eliminate duplicates Z: 80 41.587 2.123 0.644 0.537 0.886 0.481 CB 1.460 80 residues pruned to eliminate duplicates Z: 12 14.518 2.150 0.378 0.786 0.909 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 44 44.529 2.151 0.813 0.682 0.953 0.465 CA 1.545 44 residues pruned to eliminate duplicates Z: 13 17.777 1.996 0.680 0.721 0.917 0.500 CB 1.367 13 residues pruned to eliminate duplicates Z: 42 30.331 2.028 0.667 0.607 0.902 0.512 CB 1.403 42 residues pruned to eliminate duplicates Z: 42 27.782 2.131 0.575 0.501 0.902 0.512 CB 1.432 42 residues pruned to eliminate duplicates Z: 73 49.725 2.147 0.767 0.598 0.931 0.597 CB 1.512 73 residues pruned to eliminate duplicates Z: 70 43.797 2.159 0.730 0.582 0.957 0.565 CB 1.364 70 residues pruned to eliminate duplicates Z: 31 22.210 2.086 0.631 0.412 0.867 0.433 CB 1.509 31 residues pruned to eliminate duplicates Z: 74 47.576 2.140 0.750 0.573 0.904 0.493 CB 1.532 74 residues pruned to eliminate duplicates Z: 41 30.292 2.149 0.628 0.527 0.925 0.425 CB 1.442 41 residues pruned to eliminate duplicates Z: 57 37.378 2.161 0.611 0.587 0.929 0.464 CB 1.421 57 residues pruned to eliminate duplicates Z: 18 18.373 2.229 0.777 0.282 0.941 0.588 CB 1.529 18 residues pruned to eliminate duplicates Z: 73 46.632 2.156 0.684 0.567 0.931 0.486 CB 1.525 73 residues pruned to eliminate duplicates Z: 66 48.113 2.210 0.717 0.588 0.954 0.538 CB 1.515 66 residues pruned to eliminate duplicates Z: 73 51.448 2.183 0.789 0.585 0.931 0.542 CB 1.537 73 residues pruned to eliminate duplicates Z: 19 20.444 2.191 0.727 0.360 0.944 0.556 CB 1.568 19 residues pruned to eliminate duplicates Z: 32 26.249 2.146 0.725 0.497 0.871 0.548 CB 1.467 32 residues pruned to eliminate duplicates Z: 30 26.030 2.191 0.752 0.461 0.897 0.586 CB 1.462 30 residues pruned to eliminate duplicates Z: 43 22.882 2.055 0.501 0.463 0.881 0.524 CB 1.348 43 residues pruned to eliminate duplicates Z: 22 17.377 2.064 0.607 0.475 0.857 0.476 CB 1.368 22 residues pruned to eliminate duplicates Z: 26 19.401 2.170 0.710 0.366 0.880 0.480 CB 1.372 26 residues pruned to eliminate duplicates Z: 24 19.221 1.976 0.726 0.480 0.913 0.609 CB 1.312 23 residues pruned to eliminate duplicates Z: 6 5.402 1.758 0.447 0.416 0.800 0.600 CA 1.296 6 residues pruned to eliminate duplicates Z: 18 16.908 2.184 0.776 0.345 0.824 0.529 CB 1.520 18 residues pruned to eliminate duplicates Z: 21 21.896 2.151 0.829 0.446 0.900 0.550 CB 1.461 21 residues pruned to eliminate duplicates Z: 31 24.919 2.160 0.751 0.414 0.900 0.500 CB 1.462 31 residues pruned to eliminate duplicates Z: 40 28.901 2.187 0.639 0.498 0.872 0.410 CB 1.484 40 residues pruned to eliminate duplicates Z: 73 50.558 2.177 0.720 0.584 0.972 0.472 CB 1.510 73 residues pruned to eliminate duplicates Z: 19 18.505 2.054 0.727 0.457 0.833 0.444 CB 1.542 19 residues pruned to eliminate duplicates Z: 72 50.158 2.170 0.785 0.594 0.930 0.493 CB 1.511 72 residues pruned to eliminate duplicates Z: 31 27.334 2.124 0.746 0.425 0.967 0.467 CB 1.505 31 residues pruned to eliminate duplicates Z: 10 13.794 1.847 0.387 0.830 1.000 0.667 CA 1.349 11 residues pruned to eliminate duplicates Z: 10 15.294 1.811 0.626 0.814 1.000 0.778 CA 1.317 10 residues pruned to eliminate duplicates Z: 10 14.783 1.841 0.563 0.783 1.000 0.667 CA 1.334 10 residues pruned to eliminate duplicates Z: 32 26.903 2.133 0.748 0.487 0.903 0.484 CB 1.454 32 residues pruned to eliminate duplicates Z: 30 15.252 1.831 0.509 0.479 0.897 0.517 CA 1.168 31 residues pruned to eliminate duplicates Z: 6 2.526 1.492 0.264 0.273 0.800 0.400 C 0.968 6 residues pruned to eliminate duplicates Z: 19 14.502 1.860 0.616 0.427 0.889 0.444 CB 1.380 19 residues pruned to eliminate duplicates Z: 22 12.074 1.806 0.477 0.403 0.857 0.429 CA 1.276 22 residues pruned to eliminate duplicates Z: 29 17.304 1.919 0.440 0.474 0.857 0.536 CA 1.418 29 residues pruned to eliminate duplicates Z: 31 15.585 1.888 0.398 0.470 0.833 0.433 CA 1.334 31 residues pruned to eliminate duplicates Z: 30 16.580 1.898 0.483 0.477 0.828 0.655 CA 1.353 30 residues pruned to eliminate duplicates Z: 32 18.545 1.884 0.503 0.465 0.871 0.548 CA 1.400 33 residues pruned to eliminate duplicates 6 1.744 1.457 0.207 0.169 0.800 0.200 CB 0.829 ? Z: 6 2.375 1.395 0.358 0.360 0.800 0.600 CA 0.815 6 residues pruned to eliminate duplicates Z: 34 18.205 1.849 0.489 0.510 0.909 0.636 CB 1.254 33 residues pruned to eliminate duplicates Z: 6 3.018 1.558 0.626 0.156 0.800 0.200 CA 1.016 4 residues pruned to eliminate duplicates Z: 7 3.599 1.381 0.899 0.334 0.667 0.167 CA 1.008 10 residues pruned to eliminate duplicates Z: 7 5.326 1.445 0.341 0.544 1.000 0.833 N 1.074 5 residues pruned to eliminate duplicates Z: 6 3.966 1.725 0.387 0.444 0.600 0.200 CB 1.310 4 residues pruned to eliminate duplicates Z: 6 4.611 1.709 0.741 0.343 0.600 0.400 CA 1.371 Z: 6 4.887 1.622 0.693 0.331 0.800 0.400 CA 1.197 5 residues pruned to eliminate duplicates Z: 7 3.972 1.636 0.964 0.445 0.667 0.333 CB 0.801 7 residues pruned to eliminate duplicates Z: 13 15.108 2.002 1.021 0.394 0.833 0.667 CB 1.446 13 residues pruned to eliminate duplicates Z: 17 14.753 1.893 0.953 0.453 0.812 0.625 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 11.086 1.964 0.620 0.582 0.727 0.364 CB 1.335 12 residues pruned to eliminate duplicates Z: 61 33.301 1.984 0.629 0.511 0.917 0.517 CB 1.435 57 residues pruned to eliminate duplicates Z: 7 5.426 1.560 0.632 0.497 1.000 0.833 CB 0.873 7 residues pruned to eliminate duplicates Z: 52 27.263 2.027 0.643 0.433 0.824 0.451 CB 1.493 52 residues pruned to eliminate duplicates Z: 20 15.777 2.108 0.637 0.315 0.842 0.316 CA 1.528 20 residues pruned to eliminate duplicates Z: 48 25.462 2.028 0.647 0.475 0.830 0.596 CB 1.374 48 residues pruned to eliminate duplicates Z: 63 30.836 1.961 0.672 0.492 0.855 0.468 CB 1.409 12 residues pruned to eliminate duplicates Z: 6 3.243 1.636 0.618 0.243 1.000 0.200 CB 0.737 6 residues pruned to eliminate duplicates Z: 30 20.898 2.054 0.598 0.364 0.931 0.483 CA 1.469 30 residues pruned to eliminate duplicates Z: 47 31.729 2.086 0.483 0.544 0.913 0.457 CB 1.586 47 residues pruned to eliminate duplicates Z: 49 31.396 2.073 0.694 0.484 0.875 0.458 CB 1.498 49 residues pruned to eliminate duplicates Z: 47 32.630 2.085 0.773 0.467 0.913 0.696 CB 1.474 47 residues pruned to eliminate duplicates Z: 20 12.603 2.076 0.664 0.287 0.737 0.421 CA 1.443 20 residues pruned to eliminate duplicates Z: 30 14.639 2.052 0.552 0.321 0.759 0.517 CA 1.370 30 residues pruned to eliminate duplicates Z: 34 23.491 2.126 0.660 0.452 0.818 0.545 CA 1.486 34 residues pruned to eliminate duplicates Z: 29 19.822 2.089 0.674 0.366 0.821 0.571 CA 1.506 30 residues pruned to eliminate duplicates Z: 6 3.637 1.429 0.935 0.348 0.800 0.600 N 0.866 Z: 21 28.608 2.020 0.635 0.860 1.000 0.650 CB 1.424 21 residues pruned to eliminate duplicates Z: 24 20.341 1.963 0.633 0.596 1.000 0.478 CB 1.208 24 residues pruned to eliminate duplicates Z: 35 26.203 1.973 0.825 0.472 0.882 0.618 CA 1.455 35 residues pruned to eliminate duplicates Z: 23 29.740 1.983 0.739 0.778 1.000 0.455 CB 1.438 23 residues pruned to eliminate duplicates Z: 33 25.424 1.977 0.656 0.609 0.906 0.625 CA 1.366 33 residues pruned to eliminate duplicates Z: 47 30.571 1.990 0.713 0.678 0.870 0.630 CB 1.291 47 residues pruned to eliminate duplicates Z: 53 33.861 1.934 0.633 0.643 0.962 0.712 CB 1.353 53 residues pruned to eliminate duplicates Z: 22 28.030 1.970 0.541 0.902 1.000 0.619 CB 1.437 22 residues pruned to eliminate duplicates Z: 47 34.220 2.036 0.781 0.560 0.891 0.565 CB 1.473 47 residues pruned to eliminate duplicates Z: 38 30.636 1.970 0.762 0.596 0.919 0.622 CB 1.441 38 residues pruned to eliminate duplicates Z: 37 27.288 1.947 0.665 0.600 0.889 0.583 CA 1.435 37 residues pruned to eliminate duplicates Z: 31 31.482 1.983 0.755 0.772 0.933 0.700 CB 1.392 31 residues pruned to eliminate duplicates Z: 47 33.864 2.047 0.779 0.554 0.891 0.500 CA 1.460 47 residues pruned to eliminate duplicates Z: 32 35.808 1.990 0.796 0.776 0.968 0.548 CB 1.457 32 residues pruned to eliminate duplicates Z: 30 28.994 2.034 0.575 0.743 0.966 0.517 CB 1.401 30 residues pruned to eliminate duplicates Z: 35 29.430 1.990 0.723 0.704 0.882 0.529 CB 1.385 35 residues pruned to eliminate duplicates Z: 36 30.501 1.893 0.712 0.767 0.971 0.571 CB 1.293 36 residues pruned to eliminate duplicates Z: 34 31.093 1.982 0.785 0.652 0.970 0.576 CB 1.369 34 residues pruned to eliminate duplicates Z: 12 6.500 1.766 0.605 0.350 0.636 0.182 CA 1.279 12 residues pruned to eliminate duplicates Z: 50 30.102 1.984 0.637 0.551 0.878 0.490 CB 1.436 50 residues pruned to eliminate duplicates Z: 36 26.264 2.015 0.514 0.637 0.886 0.571 CB 1.445 36 residues pruned to eliminate duplicates Z: 53 33.016 2.047 0.608 0.527 0.904 0.538 CB 1.499 53 residues pruned to eliminate duplicates Z: 13 12.763 1.777 0.308 0.712 1.000 0.667 CA 1.308 13 residues pruned to eliminate duplicates Z: 64 36.737 1.992 0.574 0.575 0.952 0.571 CA 1.441 64 residues pruned to eliminate duplicates Z: 16 15.428 1.769 0.462 0.721 0.933 0.600 CB 1.351 Z: 43 37.114 1.952 0.786 0.720 0.976 0.690 CB 1.380 59 residues pruned to eliminate duplicates Z: 65 36.541 1.993 0.569 0.580 0.938 0.656 CB 1.442 63 residues pruned to eliminate duplicates Z: 9 16.672 1.879 0.602 0.891 1.000 1.000 CB 1.408 9 residues pruned to eliminate duplicates Z: 12 13.913 1.848 0.456 0.904 1.000 0.818 CB 1.111 12 residues pruned to eliminate duplicates Z: 15 10.564 1.743 0.301 0.644 0.857 0.643 CB 1.269 15 residues pruned to eliminate duplicates Z: 31 20.295 1.948 0.564 0.447 0.900 0.500 CA 1.427 31 residues pruned to eliminate duplicates Z: 65 35.544 1.959 0.643 0.541 0.938 0.562 CA 1.415 65 residues pruned to eliminate duplicates Z: 19 10.734 1.878 0.282 0.347 0.944 0.611 CA 1.313 19 residues pruned to eliminate duplicates Z: 49 19.570 1.927 0.289 0.393 0.938 0.542 CA 1.359 49 residues pruned to eliminate duplicates Z: 12 12.713 1.973 0.300 0.562 0.909 0.545 CA 1.549 12 residues pruned to eliminate duplicates Z: 18 12.275 1.915 0.197 0.392 1.000 0.412 CA 1.457 18 residues pruned to eliminate duplicates Z: 19 11.368 1.919 0.294 0.382 0.833 0.500 CA 1.468 19 residues pruned to eliminate duplicates Z: 16 12.878 1.980 0.223 0.408 1.000 0.667 CA 1.513 18 residues pruned to eliminate duplicates Z: 6 5.447 1.760 0.272 0.408 0.800 0.200 O 1.498 6 residues pruned to eliminate duplicates Z: 17 11.593 1.962 0.182 0.399 0.938 0.562 CA 1.483 17 residues pruned to eliminate duplicates Z: 18 10.872 1.927 0.094 0.383 0.941 0.588 CA 1.504 17 residues pruned to eliminate duplicates Z: 9 4.841 1.317 0.570 0.452 0.875 0.375 CB 0.993 8 residues pruned to eliminate duplicates 703 residues left after pruning, divided into chains as follows: A: 9 B: 9 C: 13 D: 26 E: 18 F: 9 G: 36 H: 108 I: 145 J: 144 K: 29 L: 8 M: 8 N: 7 O: 17 P: 63 Q: 54 CC for partial structure against native data = 25.80 % ------------------------------------------------------------------------------ Global autotracing cycle 17 = 0.300, Contrast = 0.386, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.550, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6648 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1279 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 14.328 1.900 0.396 0.367 0.871 0.516 CB 1.285 B: 29 20.654 2.110 0.563 0.454 0.893 0.571 CB 1.390 C: 18 13.635 2.018 0.265 0.425 0.882 0.471 CA 1.588 D: 8 9.449 1.738 0.372 0.876 0.857 0.429 CB 1.270 E: 21 37.704 2.209 0.953 0.936 0.950 0.650 CB 1.432 F: 15 16.673 2.195 0.161 0.863 1.000 0.714 CB 1.283 G: 17 23.518 1.982 0.636 0.850 0.875 0.688 CA 1.534 H: 11 8.640 1.852 0.367 0.515 0.900 0.600 CB 1.182 I: 20 43.583 2.292 0.961 0.924 1.000 0.947 CB 1.562 21 residues pruned to eliminate duplicates J: 23 19.296 2.055 0.514 0.530 0.909 0.682 CB 1.411 K: 12 16.627 2.038 0.456 0.924 1.000 0.727 CB 1.187 L: 18 26.553 1.998 0.615 0.851 1.000 0.471 CA 1.477 16 residues pruned to eliminate duplicates M: 19 24.178 2.025 0.415 0.847 1.000 0.722 CA 1.476 19 residues pruned to eliminate duplicates N: 9 8.516 1.561 0.366 0.856 1.000 0.750 CB 1.042 9 residues pruned to eliminate duplicates O: 13 13.973 1.844 0.542 0.851 0.833 0.583 CB 1.260 P: 10 15.187 1.840 0.631 0.839 0.889 0.667 CB 1.417 10 residues pruned to eliminate duplicates Q: 24 18.890 2.181 0.694 0.371 0.870 0.435 CB 1.408 R: 21 37.419 2.249 0.728 0.921 0.950 0.600 CB 1.595 21 residues pruned to eliminate duplicates S: 22 38.099 2.206 0.828 0.874 1.000 0.667 CB 1.500 21 residues pruned to eliminate duplicates T: 11 20.926 2.151 0.793 0.883 0.900 0.700 CB 1.379 12 residues pruned to eliminate duplicates U: 17 20.737 2.122 0.309 0.853 1.000 0.938 CB 1.379 15 residues pruned to eliminate duplicates V: 32 28.097 2.001 0.601 0.655 0.871 0.710 CB 1.567 25 residues pruned to eliminate duplicates W: 20 34.491 2.282 0.589 0.902 1.000 0.947 CB 1.556 20 residues pruned to eliminate duplicates X: 7 8.891 1.898 0.154 0.673 1.000 0.833 CA 1.413 7 residues pruned to eliminate duplicates Y: 25 20.222 2.011 0.591 0.480 0.917 0.708 CA 1.436 Z: 15 22.238 1.965 0.511 0.844 1.000 0.786 CA 1.490 13 residues pruned to eliminate duplicates Z: 21 34.040 2.190 0.686 0.876 1.000 0.650 CB 1.497 21 residues pruned to eliminate duplicates Z: 22 37.142 2.163 0.760 0.901 1.000 0.619 CB 1.519 22 residues pruned to eliminate duplicates Z: 76 46.431 2.149 0.706 0.565 0.920 0.493 CB 1.492 45 residues pruned to eliminate duplicates Z: 22 38.771 2.228 0.696 0.909 1.000 0.857 CB 1.589 22 residues pruned to eliminate duplicates Z: 11 19.881 2.095 0.459 0.856 1.000 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 12 17.775 2.053 0.612 0.880 1.000 0.727 CB 1.173 12 residues pruned to eliminate duplicates Z: 9 8.450 1.885 0.448 0.537 0.875 0.625 CB 1.206 Z: 11 11.954 1.614 0.450 0.830 1.000 0.600 CA 1.214 11 residues pruned to eliminate duplicates Z: 25 12.801 1.939 0.365 0.487 0.875 0.583 CB 1.143 25 residues pruned to eliminate duplicates Z: 15 18.175 2.114 0.208 0.881 1.000 0.857 CA 1.377 15 residues pruned to eliminate duplicates Z: 19 10.857 2.009 0.582 0.323 0.833 0.389 CB 1.174 19 residues pruned to eliminate duplicates Z: 22 32.539 2.162 0.502 0.887 1.000 0.762 CB 1.577 22 residues pruned to eliminate duplicates Z: 38 20.308 1.999 0.400 0.456 0.919 0.568 CA 1.359 22 residues pruned to eliminate duplicates Z: 10 12.812 1.763 0.531 0.799 0.889 0.556 CA 1.371 10 residues pruned to eliminate duplicates Z: 64 38.010 2.099 0.508 0.551 0.921 0.524 CA 1.564 30 residues pruned to eliminate duplicates Z: 27 20.638 2.173 0.542 0.419 0.923 0.538 CB 1.424 30 residues pruned to eliminate duplicates Z: 22 41.450 2.167 0.962 0.925 1.000 0.476 CB 1.493 22 residues pruned to eliminate duplicates Z: 24 27.032 2.100 0.625 0.635 1.000 0.609 CA 1.455 24 residues pruned to eliminate duplicates Z: 16 19.895 2.159 0.312 0.893 0.933 0.800 CB 1.395 16 residues pruned to eliminate duplicates Z: 22 36.502 2.142 0.848 0.887 1.000 0.762 CB 1.450 22 residues pruned to eliminate duplicates Z: 15 9.940 1.951 0.198 0.339 1.000 0.571 CB 1.355 Z: 21 43.034 2.223 0.967 0.938 1.000 0.700 CB 1.531 33 residues pruned to eliminate duplicates Z: 19 16.940 1.788 0.629 0.684 0.944 0.667 CB 1.226 9 residues pruned to eliminate duplicates Z: 36 25.686 2.063 0.519 0.483 0.943 0.629 CB 1.494 37 residues pruned to eliminate duplicates Z: 10 8.544 1.991 0.364 0.520 0.778 0.667 CA 1.322 10 residues pruned to eliminate duplicates Z: 38 23.979 1.998 0.522 0.480 0.946 0.595 CB 1.398 38 residues pruned to eliminate duplicates Z: 21 38.734 2.196 0.769 0.911 1.000 0.850 CB 1.580 21 residues pruned to eliminate duplicates Z: 27 16.259 2.022 0.527 0.370 0.885 0.692 CB 1.342 23 residues pruned to eliminate duplicates Z: 11 10.869 1.920 0.447 0.489 0.900 0.800 CB 1.389 Z: 10 12.480 1.750 0.447 0.799 1.000 0.556 CA 1.264 11 residues pruned to eliminate duplicates Z: 30 16.593 1.923 0.353 0.455 0.966 0.517 CB 1.284 15 residues pruned to eliminate duplicates Z: 19 17.496 2.068 0.704 0.351 0.833 0.556 CB 1.650 19 residues pruned to eliminate duplicates Z: 18 11.958 2.049 0.265 0.441 0.824 0.471 CA 1.445 Z: 21 11.657 1.810 0.500 0.301 0.850 0.400 N 1.410 12 residues pruned to eliminate duplicates Z: 25 13.473 1.928 0.431 0.444 0.750 0.625 CB 1.408 17 residues pruned to eliminate duplicates Z: 24 15.655 2.041 0.414 0.421 0.870 0.565 CB 1.412 18 residues pruned to eliminate duplicates Z: 16 8.591 2.059 0.088 0.432 0.733 0.533 CB 1.450 16 residues pruned to eliminate duplicates Z: 11 18.402 2.020 0.432 0.881 1.000 0.600 CA 1.456 11 residues pruned to eliminate duplicates Z: 10 10.376 1.621 0.420 0.888 1.000 0.778 CA 1.082 10 residues pruned to eliminate duplicates Z: 10 21.132 2.149 0.809 0.867 1.000 0.778 CB 1.326 11 residues pruned to eliminate duplicates Z: 38 16.660 1.934 0.341 0.364 0.838 0.432 CB 1.460 Z: 20 40.071 2.254 0.888 0.909 1.000 0.632 CB 1.533 20 residues pruned to eliminate duplicates Z: 44 17.857 1.962 0.401 0.328 0.837 0.442 CA 1.429 55 residues pruned to eliminate duplicates Z: 36 22.120 2.042 0.417 0.489 0.914 0.600 CA 1.429 36 residues pruned to eliminate duplicates Z: 73 39.849 2.037 0.587 0.566 0.931 0.514 CB 1.464 72 residues pruned to eliminate duplicates Z: 14 24.913 2.160 0.607 0.868 1.000 0.769 CA 1.455 14 residues pruned to eliminate duplicates Z: 16 13.652 2.044 0.555 0.478 0.933 0.467 CB 1.215 16 residues pruned to eliminate duplicates Z: 6 2.933 1.622 -0.048 0.558 0.800 0.600 C 1.003 Z: 11 11.867 1.899 0.669 0.522 1.000 0.700 CB 1.159 12 residues pruned to eliminate duplicates Z: 35 23.849 2.121 0.536 0.457 0.912 0.618 CB 1.439 35 residues pruned to eliminate duplicates Z: 58 24.574 2.013 0.273 0.518 0.912 0.649 CB 1.367 32 residues pruned to eliminate duplicates Z: 22 32.347 2.096 0.629 0.902 1.000 0.905 CB 1.475 21 residues pruned to eliminate duplicates Z: 27 13.990 1.839 0.461 0.414 0.808 0.615 CB 1.383 11 residues pruned to eliminate duplicates Z: 14 8.696 2.083 0.150 0.398 0.846 0.538 CB 1.326 14 residues pruned to eliminate duplicates Z: 20 20.477 2.000 0.500 0.903 0.895 0.789 CB 1.247 20 residues pruned to eliminate duplicates Z: 36 22.293 2.089 0.530 0.436 0.914 0.629 CB 1.378 35 residues pruned to eliminate duplicates Z: 19 10.285 1.876 0.425 0.398 0.667 0.333 CB 1.514 19 residues pruned to eliminate duplicates Z: 23 19.226 2.094 0.478 0.572 0.909 0.727 CB 1.360 23 residues pruned to eliminate duplicates Z: 24 21.439 2.151 0.681 0.411 0.913 0.652 CB 1.486 24 residues pruned to eliminate duplicates Z: 67 41.503 2.082 0.618 0.548 0.955 0.576 CB 1.516 75 residues pruned to eliminate duplicates Z: 19 11.042 1.859 0.558 0.408 0.833 0.444 CB 1.187 12 residues pruned to eliminate duplicates Z: 23 10.382 1.936 0.172 0.418 0.864 0.636 CB 1.230 23 residues pruned to eliminate duplicates Z: 21 17.323 1.991 0.868 0.300 0.900 0.350 CA 1.447 Z: 22 19.335 2.036 0.585 0.619 0.857 0.571 CB 1.363 22 residues pruned to eliminate duplicates Z: 36 24.751 2.089 0.490 0.486 0.943 0.629 CA 1.446 36 residues pruned to eliminate duplicates Z: 14 13.109 1.852 0.904 0.426 0.846 0.692 CB 1.317 Z: 24 9.465 1.905 0.310 0.326 0.783 0.565 CB 1.224 14 residues pruned to eliminate duplicates Z: 11 9.431 1.954 0.641 0.361 0.800 0.400 N 1.351 11 residues pruned to eliminate duplicates Z: 10 13.443 1.787 0.396 0.886 1.000 0.778 CA 1.296 11 residues pruned to eliminate duplicates Z: 62 29.887 2.002 0.474 0.472 0.885 0.393 CB 1.507 62 residues pruned to eliminate duplicates Z: 30 12.996 1.855 0.223 0.407 0.862 0.552 CA 1.360 28 residues pruned to eliminate duplicates Z: 10 9.021 1.702 0.381 0.537 0.889 0.667 N 1.388 Z: 14 18.746 1.896 0.812 0.780 0.923 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 21 37.134 2.196 0.735 0.915 1.000 0.900 CB 1.540 21 residues pruned to eliminate duplicates Z: 16 20.529 2.013 0.716 0.871 0.933 0.400 CB 1.199 16 residues pruned to eliminate duplicates Z: 75 47.143 2.157 0.726 0.575 0.919 0.541 CB 1.490 65 residues pruned to eliminate duplicates Z: 43 30.279 2.031 0.575 0.627 0.905 0.571 CB 1.432 27 residues pruned to eliminate duplicates Z: 10 12.966 1.750 0.585 0.845 1.000 0.667 CA 1.159 10 residues pruned to eliminate duplicates Z: 9 9.363 1.739 0.537 0.605 1.000 0.750 CB 1.121 9 residues pruned to eliminate duplicates Z: 23 29.756 1.904 0.583 0.918 1.000 0.773 CA 1.485 22 residues pruned to eliminate duplicates Z: 18 13.592 2.115 0.753 0.358 0.882 0.412 CB 1.174 18 residues pruned to eliminate duplicates Z: 35 25.322 2.080 0.617 0.486 0.882 0.559 CB 1.483 35 residues pruned to eliminate duplicates Z: 19 15.823 2.097 0.449 0.541 0.889 0.611 CB 1.326 19 residues pruned to eliminate duplicates Z: 20 14.670 1.919 0.500 0.528 0.947 0.684 CB 1.200 12 residues pruned to eliminate duplicates Z: 10 7.037 2.069 0.514 0.281 0.556 0.444 N 1.725 10 residues pruned to eliminate duplicates Z: 34 22.987 2.086 0.364 0.583 0.879 0.667 CB 1.478 34 residues pruned to eliminate duplicates Z: 19 11.184 1.887 0.613 0.295 0.778 0.556 CB 1.401 Z: 11 19.207 2.018 0.708 0.749 0.900 0.600 CB 1.568 11 residues pruned to eliminate duplicates Z: 34 11.167 1.883 0.293 0.346 0.758 0.424 CB 1.245 34 residues pruned to eliminate duplicates Z: 13 12.798 2.000 0.274 0.840 1.000 0.583 CB 1.082 13 residues pruned to eliminate duplicates Z: 8 11.070 1.958 0.431 0.817 0.857 0.571 CA 1.323 8 residues pruned to eliminate duplicates Z: 9 11.604 1.842 0.367 0.825 0.875 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 10 8.576 1.886 0.203 0.410 1.000 0.556 CB 1.385 10 residues pruned to eliminate duplicates Z: 12 12.614 1.898 0.425 0.522 0.909 0.818 CB 1.515 12 residues pruned to eliminate duplicates Z: 8 14.422 1.756 0.893 0.888 1.000 0.571 CB 1.181 8 residues pruned to eliminate duplicates Z: 21 32.644 2.054 0.660 0.912 1.000 0.600 CB 1.516 22 residues pruned to eliminate duplicates Z: 17 19.344 2.017 0.471 0.829 0.812 0.562 CA 1.509 17 residues pruned to eliminate duplicates Z: 15 6.320 1.784 0.279 0.373 0.714 0.357 CA 1.187 15 residues pruned to eliminate duplicates Z: 6 4.800 1.609 0.839 0.426 0.800 0.400 CA 0.979 Z: 19 32.491 2.058 0.700 0.905 1.000 0.611 CB 1.558 19 residues pruned to eliminate duplicates Z: 15 18.472 2.041 0.869 0.843 0.929 0.500 CB 1.038 15 residues pruned to eliminate duplicates Z: 30 16.509 1.961 0.583 0.309 0.897 0.586 CB 1.362 30 residues pruned to eliminate duplicates Z: 24 19.386 2.011 0.639 0.470 0.913 0.652 CB 1.385 24 residues pruned to eliminate duplicates Z: 8 4.204 1.788 0.419 0.408 0.857 0.286 N 0.804 8 residues pruned to eliminate duplicates Z: 15 10.521 2.116 0.406 0.368 0.714 0.429 CB 1.525 15 residues pruned to eliminate duplicates Z: 15 11.015 1.792 0.438 0.453 0.786 0.571 CB 1.527 13 residues pruned to eliminate duplicates Z: 6 4.548 1.611 0.006 0.466 1.000 0.600 C 1.299 6 residues pruned to eliminate duplicates Z: 6 4.327 1.671 -0.095 0.848 1.000 0.800 CA 0.949 6 residues pruned to eliminate duplicates Z: 8 8.886 1.935 0.179 0.663 0.857 0.857 CB 1.476 8 residues pruned to eliminate duplicates Z: 8 6.815 1.946 0.238 0.284 1.000 0.571 CA 1.364 Z: 16 7.584 1.924 0.285 0.346 0.800 0.667 CB 1.171 16 residues pruned to eliminate duplicates Z: 23 11.050 1.899 0.210 0.416 0.909 0.636 CB 1.230 23 residues pruned to eliminate duplicates Z: 9 8.564 1.975 0.784 0.406 0.625 0.375 CA 1.518 9 residues pruned to eliminate duplicates Z: 7 3.149 1.759 0.153 0.313 0.667 0.333 CB 1.170 Z: 11 2.535 1.397 -0.026 0.344 0.900 0.600 CB 0.776 Z: 10 9.812 1.738 0.818 0.519 0.778 0.778 CB 1.307 10 residues pruned to eliminate duplicates Z: 12 13.178 1.875 0.622 0.475 0.909 0.455 CB 1.475 12 residues pruned to eliminate duplicates Z: 16 9.065 1.897 0.099 0.403 1.000 0.600 CB 1.243 15 residues pruned to eliminate duplicates Z: 15 9.668 2.078 0.301 0.299 0.786 0.500 CB 1.522 15 residues pruned to eliminate duplicates Z: 19 9.304 1.800 0.083 0.353 0.944 0.556 CA 1.398 9 residues pruned to eliminate duplicates Z: 21 32.201 2.037 0.638 0.928 1.000 0.650 CB 1.511 21 residues pruned to eliminate duplicates Z: 10 10.875 1.893 0.578 0.589 1.000 0.667 CA 1.114 10 residues pruned to eliminate duplicates Z: 15 12.703 1.951 0.690 0.423 0.857 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 11 15.357 1.908 1.163 0.468 0.900 0.700 CB 1.351 13 residues pruned to eliminate duplicates Z: 14 8.634 1.910 0.373 0.252 0.923 0.385 CB 1.316 15 residues pruned to eliminate duplicates Z: 17 13.937 2.088 0.309 0.443 0.875 0.562 CB 1.545 19 residues pruned to eliminate duplicates Z: 6 3.201 1.324 0.949 0.799 1.000 0.400 CB 0.427 Z: 27 18.900 2.017 0.460 0.436 0.962 0.654 CA 1.399 27 residues pruned to eliminate duplicates Z: 8 13.682 1.854 0.430 0.864 1.000 0.857 CA 1.429 8 residues pruned to eliminate duplicates Z: 10 11.077 1.889 0.328 0.635 0.889 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 15 13.140 2.033 0.705 0.421 0.786 0.571 CA 1.400 15 residues pruned to eliminate duplicates Z: 39 40.764 2.198 0.758 0.653 0.921 0.737 CA 1.611 41 residues pruned to eliminate duplicates Z: 8 4.609 1.622 0.382 0.483 0.857 0.857 C 0.922 Z: 26 15.291 1.833 0.543 0.436 0.840 0.480 CA 1.375 Z: 17 12.600 1.964 0.334 0.525 0.938 0.688 CB 1.251 17 residues pruned to eliminate duplicates Z: 9 7.117 1.869 0.471 0.384 1.000 0.625 CA 1.036 9 residues pruned to eliminate duplicates Z: 35 20.996 2.036 0.416 0.448 0.882 0.529 CB 1.493 35 residues pruned to eliminate duplicates Z: 8 7.946 1.744 0.342 0.867 0.857 0.429 CA 1.095 8 residues pruned to eliminate duplicates Z: 22 9.812 1.878 0.283 0.331 0.857 0.476 CA 1.248 20 residues pruned to eliminate duplicates Z: 7 2.817 1.445 -0.011 0.595 0.667 0.667 C 1.102 Z: 6 3.577 1.600 0.125 0.358 1.000 0.600 CB 1.036 6 residues pruned to eliminate duplicates Z: 25 20.161 2.090 0.638 0.327 0.917 0.417 CA 1.586 25 residues pruned to eliminate duplicates Z: 9 9.365 1.978 0.407 0.598 0.875 0.875 CA 1.238 9 residues pruned to eliminate duplicates Z: 11 19.809 1.978 0.889 0.669 0.900 0.800 CB 1.593 11 residues pruned to eliminate duplicates Z: 24 10.474 1.838 0.407 0.433 0.783 0.348 CB 1.157 24 residues pruned to eliminate duplicates Z: 14 15.972 2.011 0.122 0.881 1.000 0.923 CB 1.423 14 residues pruned to eliminate duplicates Z: 22 39.611 2.137 0.821 0.934 1.000 0.762 CB 1.549 22 residues pruned to eliminate duplicates Z: 15 9.432 1.816 0.164 0.445 0.857 0.714 CB 1.472 11 residues pruned to eliminate duplicates Z: 8 2.229 1.601 -0.111 0.559 0.857 0.571 CB 0.652 Z: 43 41.536 2.207 0.663 0.707 0.952 0.643 CB 1.518 43 residues pruned to eliminate duplicates Z: 21 25.655 1.978 0.352 0.905 1.000 0.850 CB 1.527 21 residues pruned to eliminate duplicates Z: 7 8.336 1.760 0.531 0.651 0.833 0.333 CB 1.317 7 residues pruned to eliminate duplicates Z: 22 9.564 1.792 0.440 0.330 0.905 0.571 CB 1.077 22 residues pruned to eliminate duplicates Z: 11 6.272 1.867 0.521 0.227 0.800 0.300 CB 1.202 7 residues pruned to eliminate duplicates Z: 27 14.755 1.919 0.557 0.400 0.846 0.615 CB 1.272 27 residues pruned to eliminate duplicates Z: 12 18.161 1.890 0.976 0.526 0.909 0.818 CA 1.571 12 residues pruned to eliminate duplicates Z: 12 22.543 1.947 0.837 0.847 1.000 0.636 CA 1.411 12 residues pruned to eliminate duplicates Z: 17 43.182 2.277 0.993 0.908 1.000 0.500 CB 1.689 17 residues pruned to eliminate duplicates Z: 14 8.531 1.904 0.036 0.386 0.923 0.385 CA 1.467 14 residues pruned to eliminate duplicates Z: 12 12.484 2.158 1.031 0.262 0.909 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 10 14.657 1.726 0.756 0.873 1.000 0.889 CA 1.174 7 residues pruned to eliminate duplicates Z: 22 20.480 1.976 0.652 0.581 0.905 0.333 CB 1.400 22 residues pruned to eliminate duplicates Z: 25 15.032 1.976 0.425 0.495 0.792 0.667 CA 1.383 25 residues pruned to eliminate duplicates Z: 12 11.971 1.939 0.307 0.505 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 14 30.701 2.198 1.052 0.867 0.923 0.538 CB 1.496 14 residues pruned to eliminate duplicates Z: 7 6.560 1.515 0.745 0.575 0.833 0.667 C 1.130 Z: 52 32.768 2.059 0.552 0.636 0.882 0.667 CA 1.433 52 residues pruned to eliminate duplicates Z: 8 9.094 1.799 0.393 0.786 0.857 0.714 CA 1.245 8 residues pruned to eliminate duplicates Z: 27 14.071 1.998 0.535 0.323 0.808 0.577 CA 1.354 16 residues pruned to eliminate duplicates Z: 18 13.755 2.026 0.515 0.419 0.882 0.647 CA 1.340 18 residues pruned to eliminate duplicates Z: 27 19.673 2.186 0.601 0.377 0.923 0.577 CB 1.363 27 residues pruned to eliminate duplicates Z: 7 5.695 1.851 0.268 0.755 1.000 0.833 CB 0.789 5 residues pruned to eliminate duplicates Z: 19 18.209 2.048 0.230 0.829 0.889 0.722 CB 1.442 19 residues pruned to eliminate duplicates Z: 21 45.581 2.268 0.968 0.928 1.000 0.550 CB 1.599 21 residues pruned to eliminate duplicates Z: 9 3.759 1.535 0.467 0.299 0.625 0.625 N 1.181 Z: 11 11.205 1.925 0.325 0.602 1.000 0.700 CA 1.261 11 residues pruned to eliminate duplicates Z: 32 32.818 2.169 0.672 0.669 0.935 0.645 CA 1.486 32 residues pruned to eliminate duplicates Z: 14 8.338 1.765 0.314 0.386 0.923 0.538 CB 1.220 14 residues pruned to eliminate duplicates Z: 13 10.031 1.786 0.649 0.374 0.917 0.333 CB 1.227 13 residues pruned to eliminate duplicates Z: 6 6.653 2.027 0.521 0.308 0.800 0.600 CA 1.493 6 residues pruned to eliminate duplicates Z: 11 13.001 1.873 0.637 0.537 0.900 0.700 CB 1.437 11 residues pruned to eliminate duplicates Z: 6 5.322 1.829 0.628 0.294 0.800 0.600 CB 1.258 Z: 62 18.623 1.911 0.453 0.304 0.770 0.410 CA 1.387 56 residues pruned to eliminate duplicates Z: 16 11.115 1.979 0.299 0.446 0.867 0.600 CB 1.363 16 residues pruned to eliminate duplicates Z: 14 15.311 1.907 0.528 0.736 1.000 0.538 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 4.897 1.758 0.103 0.340 1.000 0.571 CB 1.137 8 residues pruned to eliminate duplicates Z: 20 26.422 2.069 0.432 0.841 1.000 0.684 CB 1.526 21 residues pruned to eliminate duplicates Z: 13 10.207 2.041 0.534 0.496 0.750 0.500 CB 1.260 13 residues pruned to eliminate duplicates Z: 36 17.416 1.901 0.359 0.428 0.857 0.629 CA 1.432 43 residues pruned to eliminate duplicates Z: 19 21.673 2.022 0.360 0.897 0.944 0.667 CA 1.408 19 residues pruned to eliminate duplicates Z: 15 8.374 1.921 0.425 0.366 0.786 0.429 CB 1.202 15 residues pruned to eliminate duplicates Z: 8 6.311 2.019 -0.073 0.694 1.000 0.857 CA 1.067 8 residues pruned to eliminate duplicates Z: 9 11.688 1.822 0.390 0.877 1.000 1.000 CA 1.185 9 residues pruned to eliminate duplicates Z: 10 18.884 2.207 0.654 0.796 1.000 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 6 7.667 1.912 0.397 0.635 0.800 0.600 CB 1.414 6 residues pruned to eliminate duplicates Z: 11 16.978 2.184 0.336 0.849 1.000 0.800 CB 1.364 11 residues pruned to eliminate duplicates Z: 17 10.898 1.853 0.397 0.422 0.875 0.438 CB 1.305 15 residues pruned to eliminate duplicates Z: 20 36.279 2.025 0.842 0.924 1.000 0.684 CB 1.566 19 residues pruned to eliminate duplicates Z: 6 6.745 1.548 0.449 0.663 1.000 0.600 CA 1.156 6 residues pruned to eliminate duplicates Z: 22 24.936 1.913 0.517 0.857 0.952 0.667 CB 1.451 22 residues pruned to eliminate duplicates Z: 13 11.573 1.787 0.306 0.585 1.000 0.500 CA 1.319 13 residues pruned to eliminate duplicates Z: 9 8.022 1.661 0.087 0.651 1.000 0.500 CB 1.365 9 residues pruned to eliminate duplicates Z: 17 9.285 1.783 0.403 0.436 0.812 0.500 CB 1.221 17 residues pruned to eliminate duplicates Z: 16 12.404 1.978 0.340 0.502 0.867 0.600 CB 1.391 16 residues pruned to eliminate duplicates Z: 10 8.498 1.884 0.628 0.438 0.778 0.556 CA 1.266 10 residues pruned to eliminate duplicates Z: 31 14.356 1.918 0.333 0.411 0.900 0.567 CB 1.251 31 residues pruned to eliminate duplicates Z: 8 8.158 1.868 0.563 0.419 0.857 0.429 CA 1.340 Z: 11 18.179 2.079 0.949 0.895 0.900 0.900 CB 1.130 11 residues pruned to eliminate duplicates Z: 16 17.535 2.156 0.180 0.895 0.933 0.800 CB 1.368 16 residues pruned to eliminate duplicates Z: 11 7.248 1.811 0.411 0.407 0.800 0.500 CA 1.235 11 residues pruned to eliminate duplicates Z: 9 5.634 1.619 -0.194 0.735 1.000 0.500 CB 1.236 9 residues pruned to eliminate duplicates Z: 30 19.997 1.950 0.432 0.516 0.931 0.690 CA 1.406 30 residues pruned to eliminate duplicates Z: 6 2.258 1.571 0.036 0.292 0.600 0.600 C 1.307 Z: 18 18.819 2.051 0.480 0.646 0.882 0.706 CB 1.487 18 residues pruned to eliminate duplicates Z: 19 30.779 2.001 0.910 0.899 1.000 0.667 CA 1.357 19 residues pruned to eliminate duplicates Z: 11 8.363 1.848 0.266 0.391 0.900 0.700 CB 1.410 13 residues pruned to eliminate duplicates Z: 6 4.038 1.608 0.513 0.446 0.600 0.600 CB 1.307 6 residues pruned to eliminate duplicates Z: 15 8.146 1.710 0.540 0.316 0.786 0.357 CB 1.290 Z: 21 17.127 2.050 0.443 0.610 0.800 0.700 CA 1.459 21 residues pruned to eliminate duplicates Z: 9 12.702 1.967 0.518 0.544 1.000 0.875 CA 1.440 9 residues pruned to eliminate duplicates Z: 8 11.125 1.773 0.603 0.845 0.857 0.857 CA 1.282 8 residues pruned to eliminate duplicates Z: 8 6.056 1.846 0.395 0.546 0.714 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 10 8.520 2.176 0.263 0.451 0.778 0.444 CB 1.398 10 residues pruned to eliminate duplicates 6 1.852 1.726 0.148 0.309 0.600 0.600 CB 0.861 ? Z: 11 10.059 1.866 0.450 0.593 0.900 0.600 CB 1.195 11 residues pruned to eliminate duplicates Z: 11 8.536 1.889 0.390 0.549 0.800 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 35 16.733 1.821 0.394 0.479 0.853 0.500 CA 1.354 32 residues pruned to eliminate duplicates Z: 67 39.048 2.079 0.491 0.602 0.924 0.652 CA 1.522 67 residues pruned to eliminate duplicates Z: 8 4.663 1.619 0.662 0.511 0.714 0.429 CB 0.907 Z: 7 4.730 1.672 0.007 0.643 1.000 0.833 CB 1.004 Z: 32 27.761 1.994 0.656 0.704 0.935 0.774 CB 1.341 32 residues pruned to eliminate duplicates Z: 8 10.485 1.893 0.175 0.910 1.000 1.000 CB 1.264 8 residues pruned to eliminate duplicates Z: 19 9.159 1.782 0.615 0.303 0.778 0.611 CB 1.201 8 residues pruned to eliminate duplicates Z: 16 30.253 2.206 0.826 0.861 0.933 0.867 CB 1.527 16 residues pruned to eliminate duplicates Z: 25 14.214 1.968 0.428 0.398 0.833 0.542 CB 1.381 25 residues pruned to eliminate duplicates Z: 7 5.929 1.690 0.458 0.312 1.000 0.667 CB 1.209 Z: 18 13.150 1.993 0.321 0.432 0.882 0.588 CA 1.473 18 residues pruned to eliminate duplicates Z: 20 15.017 1.970 0.545 0.511 0.842 0.579 CA 1.330 20 residues pruned to eliminate duplicates Z: 15 10.942 2.032 0.577 0.357 0.786 0.500 CB 1.356 15 residues pruned to eliminate duplicates Z: 13 7.249 1.861 0.406 0.446 0.667 0.667 CA 1.268 13 residues pruned to eliminate duplicates Z: 17 21.880 1.930 0.710 0.902 0.875 0.625 CA 1.351 17 residues pruned to eliminate duplicates Z: 28 18.187 2.089 0.618 0.339 0.889 0.556 CB 1.389 28 residues pruned to eliminate duplicates Z: 33 17.339 1.890 0.454 0.405 0.906 0.500 CA 1.361 33 residues pruned to eliminate duplicates Z: 17 12.600 1.982 0.368 0.439 0.812 0.625 CB 1.522 17 residues pruned to eliminate duplicates Z: 16 22.437 1.918 0.577 0.849 0.933 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 23 21.349 2.162 0.748 0.419 0.909 0.591 CB 1.442 23 residues pruned to eliminate duplicates Z: 21 47.049 2.258 1.058 0.918 1.000 0.500 CB 1.597 21 residues pruned to eliminate duplicates Z: 15 18.359 1.980 0.391 0.842 0.929 0.714 CA 1.429 15 residues pruned to eliminate duplicates Z: 21 29.934 2.010 0.744 0.883 1.000 0.550 CB 1.381 21 residues pruned to eliminate duplicates Z: 18 18.705 1.957 0.614 0.898 0.882 0.529 CB 1.165 18 residues pruned to eliminate duplicates Z: 18 9.519 1.698 0.446 0.447 0.882 0.647 CB 1.125 18 residues pruned to eliminate duplicates Z: 7 3.426 1.650 0.577 0.257 0.667 0.667 N 1.065 Z: 13 9.316 1.688 0.406 0.567 0.917 0.667 CB 1.158 11 residues pruned to eliminate duplicates Z: 7 3.475 1.767 0.012 0.416 0.833 0.333 CB 1.038 5 residues pruned to eliminate duplicates Z: 23 36.439 1.923 0.908 0.924 1.000 0.591 CB 1.487 22 residues pruned to eliminate duplicates Z: 31 19.487 1.914 0.415 0.446 0.933 0.700 CB 1.487 31 residues pruned to eliminate duplicates Z: 7 14.576 2.009 1.141 0.573 0.833 0.667 CA 1.546 7 residues pruned to eliminate duplicates Z: 34 24.937 2.002 0.716 0.575 0.879 0.606 CA 1.338 34 residues pruned to eliminate duplicates Z: 20 26.614 1.942 0.890 0.886 0.842 0.421 CB 1.426 20 residues pruned to eliminate duplicates Z: 15 3.634 1.674 0.393 0.231 0.643 0.357 CB 0.886 15 residues pruned to eliminate duplicates Z: 35 26.081 2.038 0.566 0.540 0.912 0.647 CB 1.479 35 residues pruned to eliminate duplicates Z: 36 30.999 2.090 0.565 0.613 0.943 0.543 CA 1.526 36 residues pruned to eliminate duplicates Z: 25 15.503 1.826 0.568 0.439 0.875 0.500 CA 1.345 25 residues pruned to eliminate duplicates Z: 10 4.800 1.843 0.164 0.308 0.778 0.444 CB 1.187 10 residues pruned to eliminate duplicates Z: 6 3.740 1.730 0.613 0.543 0.600 0.600 CB 0.958 6 residues pruned to eliminate duplicates Z: 12 6.344 1.743 0.244 0.408 0.727 0.364 CB 1.336 12 residues pruned to eliminate duplicates Z: 22 29.797 1.963 0.587 0.898 1.000 0.571 CB 1.492 22 residues pruned to eliminate duplicates Z: 70 49.124 2.202 0.694 0.601 0.942 0.580 CB 1.528 70 residues pruned to eliminate duplicates Z: 19 11.943 2.113 0.406 0.362 0.833 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 9 19.336 2.035 0.445 0.883 1.000 0.625 CB 1.681 9 residues pruned to eliminate duplicates Z: 7 6.695 1.831 0.713 0.410 0.833 0.500 CA 1.149 7 residues pruned to eliminate duplicates Z: 10 3.156 1.663 0.456 0.322 0.556 0.444 CB 0.951 Z: 12 16.692 2.035 0.537 0.761 0.909 0.818 CB 1.403 12 residues pruned to eliminate duplicates 6 1.386 1.450 0.550 0.290 0.600 0.200 CB 0.582 ? Z: 36 19.554 1.991 0.372 0.445 0.914 0.629 CB 1.400 36 residues pruned to eliminate duplicates Z: 6 7.948 1.676 0.455 0.653 1.000 0.400 CA 1.264 6 residues pruned to eliminate duplicates Z: 6 4.274 1.476 0.410 0.665 0.800 0.800 O 0.985 6 residues pruned to eliminate duplicates Z: 66 42.851 2.102 0.560 0.575 0.954 0.477 CA 1.581 66 residues pruned to eliminate duplicates Z: 6 2.216 1.464 0.680 0.413 0.800 0.600 CB 0.552 Z: 12 8.785 2.093 0.301 0.467 0.909 0.455 CB 1.107 12 residues pruned to eliminate duplicates Z: 27 13.761 1.794 0.336 0.385 0.885 0.346 CA 1.439 27 residues pruned to eliminate duplicates Z: 17 30.438 2.089 0.613 0.928 1.000 0.688 CA 1.582 17 residues pruned to eliminate duplicates Z: 21 18.361 1.747 0.644 0.880 0.800 0.400 CB 1.295 21 residues pruned to eliminate duplicates Z: 20 8.597 1.895 0.466 0.390 0.842 0.421 CB 0.947 20 residues pruned to eliminate duplicates Z: 21 20.782 2.145 0.589 0.567 0.850 0.650 CB 1.504 21 residues pruned to eliminate duplicates Z: 7 2.217 1.372 0.298 0.448 0.833 0.667 CB 0.644 Z: 18 26.420 2.103 0.539 0.906 0.941 0.647 CB 1.496 18 residues pruned to eliminate duplicates Z: 9 6.343 1.790 0.231 0.447 1.000 0.500 CB 1.075 9 residues pruned to eliminate duplicates Z: 16 8.986 1.800 0.498 0.404 0.800 0.400 CA 1.190 16 residues pruned to eliminate duplicates Z: 14 10.627 1.845 0.267 0.437 0.923 0.462 CB 1.458 14 residues pruned to eliminate duplicates Z: 20 13.018 1.971 0.270 0.562 1.000 0.368 CB 1.124 20 residues pruned to eliminate duplicates Z: 11 8.852 1.652 0.853 0.451 0.800 0.700 CB 1.202 11 residues pruned to eliminate duplicates Z: 17 12.517 1.995 0.266 0.478 0.875 0.562 CB 1.447 17 residues pruned to eliminate duplicates Z: 21 17.525 1.973 0.465 0.622 0.950 0.650 CA 1.272 23 residues pruned to eliminate duplicates Z: 9 5.037 1.783 0.428 0.424 0.750 0.375 CB 1.009 9 residues pruned to eliminate duplicates Z: 6 5.232 1.687 0.550 0.481 1.000 0.800 CB 0.911 6 residues pruned to eliminate duplicates Z: 22 14.475 1.957 0.404 0.382 0.905 0.476 CA 1.441 22 residues pruned to eliminate duplicates Z: 30 14.018 1.940 0.347 0.417 0.931 0.552 CB 1.167 30 residues pruned to eliminate duplicates Z: 11 4.245 1.466 0.451 0.300 0.700 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 47 21.721 1.910 0.438 0.502 0.935 0.609 CB 1.244 47 residues pruned to eliminate duplicates Z: 21 9.453 1.717 0.464 0.286 0.850 0.450 CB 1.259 21 residues pruned to eliminate duplicates Z: 11 3.711 1.718 0.102 0.471 0.800 0.500 CB 0.798 11 residues pruned to eliminate duplicates Z: 15 8.115 1.749 0.471 0.319 0.786 0.357 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 9.017 1.866 0.299 0.532 0.875 0.500 CA 1.456 9 residues pruned to eliminate duplicates Z: 14 13.517 1.828 0.600 0.492 0.923 0.692 CA 1.400 14 residues pruned to eliminate duplicates Z: 11 10.237 2.040 0.283 0.420 1.000 0.900 CA 1.345 11 residues pruned to eliminate duplicates Z: 36 22.024 2.011 0.517 0.455 0.943 0.600 CA 1.356 36 residues pruned to eliminate duplicates Z: 8 3.472 1.564 0.358 0.352 0.714 0.286 CA 1.015 8 residues pruned to eliminate duplicates Z: 9 13.548 1.845 0.587 0.854 0.875 0.625 CA 1.380 9 residues pruned to eliminate duplicates Z: 9 15.005 1.947 0.729 0.863 0.875 0.375 CA 1.321 9 residues pruned to eliminate duplicates Z: 11 7.923 1.966 0.668 0.332 0.800 0.500 CA 1.148 11 residues pruned to eliminate duplicates Z: 9 9.924 1.777 0.256 0.810 0.875 0.625 CA 1.372 9 residues pruned to eliminate duplicates Z: 12 8.527 1.835 0.268 0.362 1.000 0.636 CA 1.281 12 residues pruned to eliminate duplicates Z: 8 3.739 1.589 0.579 0.384 0.714 0.571 CB 0.892 Z: 30 13.920 1.876 0.461 0.408 0.759 0.517 CA 1.369 30 residues pruned to eliminate duplicates Z: 48 34.505 2.104 0.501 0.668 0.915 0.553 CA 1.491 48 residues pruned to eliminate duplicates Z: 7 3.347 2.015 -0.004 0.297 0.833 0.333 CB 1.026 7 residues pruned to eliminate duplicates Z: 31 11.896 1.833 0.252 0.372 0.800 0.433 CB 1.357 29 residues pruned to eliminate duplicates Z: 6 7.071 1.827 0.679 0.586 0.800 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 18 16.682 1.865 0.221 0.804 0.941 0.765 CB 1.448 18 residues pruned to eliminate duplicates Z: 10 14.572 2.147 0.313 0.837 1.000 0.667 CA 1.288 10 residues pruned to eliminate duplicates Z: 17 5.681 1.639 0.667 0.333 0.812 0.438 CB 0.768 17 residues pruned to eliminate duplicates Z: 12 5.665 1.688 0.170 0.285 0.909 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 10 6.428 1.523 0.644 0.306 1.000 0.889 CA 1.061 10 residues pruned to eliminate duplicates Z: 7 2.670 1.577 -0.170 0.569 0.667 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 22 13.832 1.830 0.626 0.397 0.810 0.476 CA 1.397 24 residues pruned to eliminate duplicates Z: 17 15.221 2.208 0.515 0.365 0.875 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 29 19.370 2.096 0.553 0.374 0.893 0.500 CB 1.442 29 residues pruned to eliminate duplicates Z: 18 7.846 1.845 0.143 0.273 0.824 0.529 CB 1.417 18 residues pruned to eliminate duplicates Z: 36 22.712 2.014 0.440 0.491 0.943 0.629 CA 1.416 36 residues pruned to eliminate duplicates Z: 16 12.482 1.972 0.337 0.507 0.933 0.667 CB 1.300 16 residues pruned to eliminate duplicates Z: 8 3.655 1.680 -0.121 0.432 1.000 0.571 CB 1.004 8 residues pruned to eliminate duplicates Z: 6 3.272 1.642 0.647 0.528 0.600 0.400 CA 0.877 6 residues pruned to eliminate duplicates Z: 6 5.519 1.648 0.609 0.623 0.800 0.600 N 1.036 7 residues pruned to eliminate duplicates Z: 33 25.888 2.127 0.622 0.435 0.938 0.594 CB 1.514 33 residues pruned to eliminate duplicates Z: 6 4.058 1.584 0.073 0.584 0.800 0.600 CB 1.231 Z: 27 25.017 2.016 0.364 0.684 1.000 0.769 CB 1.506 27 residues pruned to eliminate duplicates Z: 9 11.031 1.841 0.622 0.817 0.750 0.750 CA 1.323 9 residues pruned to eliminate duplicates 6 0.850 1.313 -0.093 0.300 0.600 0.600 CA 0.665 ? Z: 29 14.014 1.871 0.426 0.372 0.857 0.464 CB 1.327 29 residues pruned to eliminate duplicates Z: 7 3.718 1.365 0.434 0.436 0.833 0.833 N 0.994 Z: 13 14.335 1.872 0.706 0.427 0.917 0.833 CA 1.525 13 residues pruned to eliminate duplicates Z: 18 20.354 1.915 0.808 0.889 1.000 0.471 CB 1.026 18 residues pruned to eliminate duplicates Z: 25 11.829 1.756 0.803 0.298 0.792 0.375 CB 1.207 25 residues pruned to eliminate duplicates Z: 60 36.958 2.132 0.626 0.483 0.881 0.559 CB 1.602 60 residues pruned to eliminate duplicates Z: 19 21.683 2.026 0.323 0.853 1.000 0.944 CB 1.410 19 residues pruned to eliminate duplicates Z: 11 10.369 1.760 0.132 0.901 1.000 1.000 CB 1.175 11 residues pruned to eliminate duplicates Z: 37 28.062 2.108 0.706 0.603 0.833 0.472 CB 1.415 37 residues pruned to eliminate duplicates Z: 8 2.224 1.579 0.220 0.402 0.429 0.429 CB 1.129 Z: 8 5.432 1.742 0.074 0.704 0.857 0.714 CB 1.063 8 residues pruned to eliminate duplicates Z: 6 3.308 1.481 0.720 0.421 0.800 0.600 CA 0.788 Z: 34 17.740 1.881 0.345 0.544 0.879 0.545 CB 1.330 34 residues pruned to eliminate duplicates Z: 7 9.280 2.101 0.398 0.577 0.833 0.833 CB 1.437 7 residues pruned to eliminate duplicates Z: 11 8.660 1.943 0.349 0.495 0.900 0.600 CB 1.167 11 residues pruned to eliminate duplicates Z: 14 6.342 1.592 0.735 0.228 0.846 0.231 CA 1.034 14 residues pruned to eliminate duplicates 8 1.136 1.431 -0.304 0.268 0.571 0.429 CB 0.983 ? Z: 18 12.105 1.994 0.314 0.382 0.941 0.412 CA 1.350 18 residues pruned to eliminate duplicates Z: 8 4.446 1.568 0.458 0.586 0.857 0.429 CB 0.790 8 residues pruned to eliminate duplicates Z: 22 26.775 1.876 0.680 0.873 0.952 0.381 CB 1.417 22 residues pruned to eliminate duplicates Z: 13 14.591 1.928 0.837 0.828 0.667 0.500 CB 1.343 13 residues pruned to eliminate duplicates Z: 37 26.599 1.919 0.756 0.637 0.889 0.500 CB 1.302 37 residues pruned to eliminate duplicates Z: 11 12.350 1.773 0.832 0.522 0.900 0.800 CB 1.308 11 residues pruned to eliminate duplicates Z: 7 6.726 1.777 0.066 0.711 1.000 0.667 N 1.198 7 residues pruned to eliminate duplicates Z: 20 16.281 1.951 0.520 0.432 0.947 0.684 CA 1.427 21 residues pruned to eliminate duplicates Z: 18 7.199 1.815 0.273 0.438 0.706 0.471 CB 1.142 18 residues pruned to eliminate duplicates Z: 6 4.628 1.756 0.312 0.524 0.800 0.600 CB 1.097 10 residues pruned to eliminate duplicates Z: 57 24.213 1.914 0.637 0.428 0.839 0.571 CB 1.325 57 residues pruned to eliminate duplicates Z: 13 10.669 1.900 0.305 0.529 0.917 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 23 12.007 1.738 0.692 0.445 0.909 0.545 CB 1.013 23 residues pruned to eliminate duplicates Z: 8 6.457 1.754 0.911 0.521 0.857 0.571 CB 0.832 8 residues pruned to eliminate duplicates Z: 68 41.662 2.059 0.617 0.540 0.940 0.433 CA 1.562 68 residues pruned to eliminate duplicates Z: 7 4.667 1.192 0.838 0.717 0.833 0.500 N 0.858 Z: 8 11.881 2.223 0.274 0.832 1.000 0.571 CB 1.191 8 residues pruned to eliminate duplicates Z: 28 15.466 1.823 0.528 0.512 0.889 0.667 CA 1.189 33 residues pruned to eliminate duplicates Z: 16 10.811 1.803 0.528 0.392 0.933 0.533 CB 1.217 16 residues pruned to eliminate duplicates Z: 7 5.042 1.783 0.071 0.553 1.000 0.500 CB 1.024 Z: 7 3.796 1.478 0.299 0.242 0.833 0.333 CB 1.305 7 residues pruned to eliminate duplicates Z: 14 6.259 1.919 0.294 0.409 0.692 0.462 CB 1.111 14 residues pruned to eliminate duplicates Z: 17 10.850 1.897 0.386 0.433 0.750 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 10 9.658 1.861 0.491 0.450 0.889 0.556 CB 1.373 10 residues pruned to eliminate duplicates Z: 32 40.233 2.193 0.813 0.694 1.000 0.806 CB 1.522 32 residues pruned to eliminate duplicates Z: 52 23.209 1.858 0.553 0.417 0.824 0.608 CB 1.491 52 residues pruned to eliminate duplicates Z: 10 7.461 1.651 0.473 0.455 0.889 0.444 CB 1.205 21 residues pruned to eliminate duplicates Z: 23 18.209 2.075 0.377 0.535 0.955 0.727 CA 1.375 23 residues pruned to eliminate duplicates Z: 11 7.890 1.919 0.275 0.313 0.900 0.600 CA 1.394 11 residues pruned to eliminate duplicates Z: 15 14.052 1.987 0.653 0.373 0.929 0.286 CB 1.411 15 residues pruned to eliminate duplicates Z: 22 30.202 1.991 0.690 0.896 1.000 0.476 CB 1.403 22 residues pruned to eliminate duplicates Z: 16 11.686 1.907 0.277 0.462 0.933 0.533 CA 1.379 16 residues pruned to eliminate duplicates Z: 15 17.237 1.861 0.774 0.681 1.000 0.500 CA 1.181 15 residues pruned to eliminate duplicates Z: 14 14.025 2.096 0.269 0.506 0.923 0.692 CB 1.574 14 residues pruned to eliminate duplicates Z: 6 6.402 1.812 0.650 0.552 0.800 0.800 CA 1.138 6 residues pruned to eliminate duplicates Z: 11 3.770 1.553 0.473 0.292 0.700 0.300 CA 0.940 Z: 9 6.262 1.670 0.419 0.516 0.750 0.750 CB 1.226 9 residues pruned to eliminate duplicates Z: 7 4.883 1.466 0.437 0.458 0.833 0.833 N 1.185 Z: 10 6.037 1.605 0.077 0.588 1.000 0.556 N 1.071 Z: 29 11.901 1.829 0.422 0.376 0.821 0.429 CA 1.202 29 residues pruned to eliminate duplicates Z: 12 8.334 1.750 0.482 0.434 0.909 0.727 CA 1.141 12 residues pruned to eliminate duplicates Z: 14 16.318 2.019 0.510 0.521 0.923 0.615 CA 1.574 14 residues pruned to eliminate duplicates Z: 18 12.199 1.904 0.265 0.417 0.882 0.647 CA 1.519 24 residues pruned to eliminate duplicates Z: 13 8.888 1.755 0.448 0.466 0.833 0.583 CA 1.255 13 residues pruned to eliminate duplicates Z: 15 10.502 1.984 0.350 0.428 0.857 0.571 CB 1.317 15 residues pruned to eliminate duplicates Z: 30 13.907 1.917 0.245 0.396 0.931 0.483 CB 1.297 30 residues pruned to eliminate duplicates Z: 9 9.838 1.863 0.588 0.845 0.750 0.500 CA 1.166 9 residues pruned to eliminate duplicates Z: 59 27.385 2.063 0.307 0.470 0.897 0.534 CB 1.535 59 residues pruned to eliminate duplicates Z: 11 7.062 1.801 0.467 0.557 0.900 0.600 CB 0.889 11 residues pruned to eliminate duplicates Z: 21 32.339 2.025 0.720 0.931 1.000 0.700 CB 1.450 21 residues pruned to eliminate duplicates Z: 8 7.214 1.816 0.138 0.651 0.857 0.429 CB 1.338 8 residues pruned to eliminate duplicates 6 1.842 1.145 0.637 0.370 0.800 0.400 N 0.631 ? Z: 15 12.380 1.802 0.690 0.452 0.857 0.571 CA 1.332 14 residues pruned to eliminate duplicates Z: 12 10.948 2.013 0.113 0.893 0.909 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 7 3.678 1.368 -0.037 0.530 1.000 0.667 CA 1.107 6 residues pruned to eliminate duplicates Z: 24 16.222 1.833 0.685 0.502 0.913 0.522 CB 1.197 29 residues pruned to eliminate duplicates Z: 51 18.945 1.907 0.344 0.368 0.860 0.600 CB 1.400 51 residues pruned to eliminate duplicates Z: 6 3.035 1.549 0.089 0.396 0.800 0.600 CA 1.122 6 residues pruned to eliminate duplicates Z: 7 6.475 1.721 0.676 0.495 0.667 0.500 N 1.382 Z: 7 5.573 1.329 0.587 0.659 0.833 0.667 N 1.117 Z: 12 8.623 1.886 0.289 0.559 0.909 0.727 CA 1.110 12 residues pruned to eliminate duplicates Z: 15 18.661 1.981 0.698 0.846 0.857 0.714 CA 1.285 15 residues pruned to eliminate duplicates Z: 34 16.543 1.848 0.467 0.401 0.818 0.515 CB 1.441 34 residues pruned to eliminate duplicates 8 1.725 1.453 0.077 0.270 0.714 0.286 CB 0.757 ? Z: 17 10.915 1.875 0.501 0.427 0.750 0.688 CA 1.395 17 residues pruned to eliminate duplicates Z: 9 3.271 1.490 -0.004 0.437 0.875 0.625 C 0.949 Z: 9 3.621 1.258 0.305 0.395 1.000 0.625 CB 0.871 Z: 25 7.763 1.683 0.183 0.316 0.833 0.458 CB 1.172 17 residues pruned to eliminate duplicates Z: 10 17.536 1.770 0.650 0.918 1.000 1.000 CB 1.412 10 residues pruned to eliminate duplicates Z: 72 33.857 2.015 0.603 0.557 0.845 0.606 CA 1.394 72 residues pruned to eliminate duplicates Z: 42 16.813 1.872 0.361 0.357 0.878 0.537 CB 1.369 42 residues pruned to eliminate duplicates 9 1.777 1.434 0.055 0.187 0.750 0.625 CB 0.805 ? Z: 20 7.628 1.818 0.037 0.496 0.789 0.789 CA 1.181 20 residues pruned to eliminate duplicates Z: 79 45.130 2.148 0.658 0.590 0.910 0.641 CB 1.446 79 residues pruned to eliminate duplicates Z: 10 16.884 2.045 0.651 0.610 0.889 0.556 CB 1.691 11 residues pruned to eliminate duplicates Z: 18 10.196 1.746 0.715 0.535 0.882 0.706 CB 0.904 18 residues pruned to eliminate duplicates Z: 30 34.746 2.152 0.873 0.702 0.862 0.517 CB 1.544 30 residues pruned to eliminate duplicates Z: 17 16.937 1.948 0.249 0.827 0.938 0.750 CB 1.399 17 residues pruned to eliminate duplicates Z: 18 15.762 2.034 0.518 0.352 0.882 0.588 CA 1.648 18 residues pruned to eliminate duplicates Z: 18 12.821 2.014 0.333 0.433 0.882 0.529 CB 1.407 18 residues pruned to eliminate duplicates Z: 6 6.266 1.595 0.463 0.638 0.800 0.600 O 1.319 Z: 8 2.332 1.857 -0.230 0.371 0.571 0.429 CA 1.238 8 residues pruned to eliminate duplicates Z: 7 11.231 1.992 0.486 0.655 1.000 0.667 CA 1.342 7 residues pruned to eliminate duplicates Z: 6 2.998 1.843 -0.057 0.480 1.000 0.600 CA 0.787 6 residues pruned to eliminate duplicates Z: 16 9.565 1.620 0.460 0.484 0.933 0.733 CA 1.136 16 residues pruned to eliminate duplicates Z: 13 9.138 1.679 0.353 0.427 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 8 8.329 1.692 0.732 0.428 1.000 0.286 CB 1.158 8 residues pruned to eliminate duplicates Z: 22 35.082 2.123 0.707 0.909 0.952 0.810 CB 1.574 22 residues pruned to eliminate duplicates Z: 16 10.630 1.855 0.447 0.459 0.867 0.600 CB 1.230 16 residues pruned to eliminate duplicates Z: 25 14.672 1.896 0.386 0.318 0.875 0.417 N 1.592 25 residues pruned to eliminate duplicates Z: 7 3.981 1.340 0.249 0.585 0.833 0.667 CB 1.074 Z: 18 22.931 2.044 0.885 0.639 0.941 0.529 CB 1.346 18 residues pruned to eliminate duplicates Z: 9 3.675 1.470 0.216 0.323 0.875 0.500 CB 1.009 Z: 11 8.705 1.666 0.722 0.531 0.800 0.800 CA 1.163 11 residues pruned to eliminate duplicates Z: 7 4.174 1.855 0.506 0.376 0.667 0.500 CB 1.045 7 residues pruned to eliminate duplicates Z: 12 16.290 1.945 0.555 0.543 1.000 0.636 CA 1.557 13 residues pruned to eliminate duplicates Z: 30 17.861 1.947 0.389 0.422 0.966 0.655 CA 1.378 30 residues pruned to eliminate duplicates Z: 13 17.892 1.748 0.749 0.848 1.000 0.833 CB 1.253 13 residues pruned to eliminate duplicates Z: 20 18.095 1.991 0.581 0.453 0.947 0.632 CB 1.461 20 residues pruned to eliminate duplicates Z: 11 2.896 1.559 0.370 0.170 0.500 0.200 C 1.279 3 residues pruned to eliminate duplicates Z: 10 4.830 1.679 0.582 0.342 0.778 0.444 CB 0.925 10 residues pruned to eliminate duplicates Z: 15 8.101 1.730 0.409 0.453 0.786 0.357 CB 1.186 15 residues pruned to eliminate duplicates Z: 9 2.422 1.559 0.210 0.210 0.750 0.375 CB 0.853 Z: 11 4.611 1.657 0.681 0.376 0.600 0.500 CB 0.996 8 residues pruned to eliminate duplicates Z: 29 21.637 2.139 0.590 0.330 0.893 0.571 CB 1.622 29 residues pruned to eliminate duplicates Z: 12 6.171 1.776 -0.165 0.440 1.000 0.545 CA 1.334 12 residues pruned to eliminate duplicates Z: 11 7.963 1.879 0.373 0.532 0.800 0.800 CB 1.182 11 residues pruned to eliminate duplicates Z: 6 3.253 1.440 0.448 0.639 0.800 0.600 CA 0.766 6 residues pruned to eliminate duplicates Z: 9 16.207 1.819 0.746 0.892 1.000 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 17 10.486 1.857 0.379 0.459 0.812 0.625 CA 1.314 17 residues pruned to eliminate duplicates Z: 14 13.323 1.909 0.430 0.450 1.000 0.462 CA 1.426 14 residues pruned to eliminate duplicates Z: 18 18.268 2.129 0.688 0.311 0.941 0.471 CB 1.614 18 residues pruned to eliminate duplicates Z: 21 24.390 1.959 0.784 0.917 0.950 0.600 CB 1.160 21 residues pruned to eliminate duplicates Z: 28 15.397 1.902 0.294 0.441 0.926 0.556 CB 1.382 28 residues pruned to eliminate duplicates Z: 10 7.612 1.889 0.589 0.543 0.778 0.667 CB 1.042 10 residues pruned to eliminate duplicates Z: 7 5.313 1.441 0.686 0.462 1.000 0.333 C 0.928 Z: 9 4.013 1.488 0.188 0.352 0.875 0.500 CB 1.077 9 residues pruned to eliminate duplicates Z: 30 13.684 1.917 0.287 0.437 0.931 0.483 CB 1.180 30 residues pruned to eliminate duplicates Z: 11 12.238 2.004 0.272 0.607 1.000 0.700 CA 1.371 11 residues pruned to eliminate duplicates 6 1.962 1.265 0.431 0.470 0.800 0.400 CA 0.624 ? Z: 6 4.901 1.931 -0.078 0.440 1.000 0.200 N 1.309 Z: 10 7.406 1.683 0.289 0.335 1.000 0.556 CB 1.362 11 residues pruned to eliminate duplicates Z: 17 14.989 1.981 0.097 0.827 0.938 0.875 CB 1.385 17 residues pruned to eliminate duplicates Z: 20 28.979 1.950 0.817 0.906 0.947 0.579 CA 1.408 20 residues pruned to eliminate duplicates Z: 7 6.356 1.679 0.330 0.646 1.000 0.833 CA 1.013 7 residues pruned to eliminate duplicates Z: 19 7.073 1.911 0.409 0.291 0.667 0.444 CB 1.174 19 residues pruned to eliminate duplicates Z: 22 28.519 1.938 0.656 0.910 1.000 0.476 CB 1.375 22 residues pruned to eliminate duplicates Z: 7 3.752 1.761 0.837 0.365 0.667 0.500 CB 0.822 7 residues pruned to eliminate duplicates Z: 6 4.161 1.536 0.377 0.376 1.000 0.600 O 1.004 Z: 54 32.904 1.986 0.646 0.507 0.906 0.453 CB 1.516 54 residues pruned to eliminate duplicates Z: 7 9.573 1.843 0.806 0.473 0.833 0.167 CB 1.449 7 residues pruned to eliminate duplicates Z: 16 8.185 1.718 0.383 0.273 0.867 0.600 CB 1.328 16 residues pruned to eliminate duplicates 6 1.867 1.677 0.349 0.419 0.800 0.400 CB 0.502 ? Z: 9 3.441 1.351 0.400 0.378 0.750 0.375 N 0.977 Z: 11 8.246 2.010 0.153 0.409 0.900 0.600 CA 1.376 11 residues pruned to eliminate duplicates Z: 36 24.482 1.959 0.527 0.609 0.886 0.514 CB 1.408 36 residues pruned to eliminate duplicates 7 1.156 1.321 0.346 0.722 1.000 0.667 CB 0.217 ? Z: 9 10.249 1.956 0.293 0.533 1.000 0.375 CA 1.387 9 residues pruned to eliminate duplicates Z: 8 2.339 1.409 0.331 0.206 0.571 0.286 CA 1.168 Z: 12 3.385 1.430 0.121 0.404 0.727 0.545 CA 0.968 12 residues pruned to eliminate duplicates Z: 12 8.293 1.583 0.589 0.530 0.818 0.364 CA 1.180 12 residues pruned to eliminate duplicates Z: 6 4.391 1.415 0.740 0.401 0.800 0.400 O 1.107 Z: 35 38.998 2.163 0.831 0.692 0.941 0.618 CA 1.505 35 residues pruned to eliminate duplicates Z: 9 12.324 1.858 0.719 0.827 0.750 0.375 CA 1.370 16 residues pruned to eliminate duplicates Z: 19 17.057 1.953 0.443 0.564 0.944 0.778 CA 1.420 19 residues pruned to eliminate duplicates Z: 10 4.584 1.572 0.233 0.447 0.667 0.556 C 1.248 10 residues pruned to eliminate duplicates Z: 60 37.132 2.075 0.518 0.588 0.966 0.610 CA 1.461 60 residues pruned to eliminate duplicates Z: 27 15.159 1.830 0.557 0.468 0.923 0.462 CA 1.167 27 residues pruned to eliminate duplicates Z: 6 5.841 1.809 0.388 0.571 1.000 0.200 CB 0.971 7 residues pruned to eliminate duplicates Z: 10 5.881 1.814 0.689 0.377 0.889 0.556 CB 0.821 10 residues pruned to eliminate duplicates Z: 18 23.712 1.902 0.854 0.924 0.882 0.353 CA 1.298 18 residues pruned to eliminate duplicates Z: 19 12.220 2.021 0.739 0.360 0.778 0.556 CB 1.225 19 residues pruned to eliminate duplicates Z: 16 15.135 2.021 0.405 0.495 0.933 0.667 CA 1.481 16 residues pruned to eliminate duplicates Z: 13 6.350 1.620 0.355 0.323 0.833 0.583 CB 1.218 9 residues pruned to eliminate duplicates Z: 6 5.237 1.634 0.196 0.710 1.000 0.600 CA 0.991 Z: 7 5.003 1.716 0.155 0.286 1.000 0.500 CA 1.310 7 residues pruned to eliminate duplicates Z: 9 4.932 1.602 0.133 0.526 1.000 0.750 CA 0.936 9 residues pruned to eliminate duplicates Z: 16 7.066 1.639 0.492 0.575 0.667 0.133 CA 1.041 16 residues pruned to eliminate duplicates Z: 43 28.032 2.056 0.707 0.465 0.905 0.476 CB 1.411 43 residues pruned to eliminate duplicates Z: 13 14.930 1.839 0.337 0.822 1.000 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 20 16.869 1.905 0.664 0.481 0.895 0.474 CA 1.391 20 residues pruned to eliminate duplicates 7 1.428 1.107 0.674 0.306 0.833 0.500 CB 0.469 ? Z: 14 6.370 1.549 0.502 0.356 0.846 0.462 CB 1.048 12 residues pruned to eliminate duplicates Z: 16 23.925 2.172 0.529 0.861 0.867 0.733 CA 1.578 16 residues pruned to eliminate duplicates Z: 45 19.618 1.932 0.292 0.415 0.909 0.545 CA 1.424 45 residues pruned to eliminate duplicates Z: 17 6.778 1.681 0.228 0.353 0.875 0.562 CB 1.100 10 residues pruned to eliminate duplicates Z: 11 6.870 1.755 0.159 0.367 0.800 0.400 O 1.539 11 residues pruned to eliminate duplicates Z: 45 26.538 2.085 0.337 0.518 0.886 0.568 CB 1.590 45 residues pruned to eliminate duplicates Z: 13 7.550 1.793 0.079 0.405 0.833 0.583 CB 1.493 13 residues pruned to eliminate duplicates Z: 9 4.968 1.607 0.353 0.403 0.750 0.625 CA 1.192 9 residues pruned to eliminate duplicates Z: 19 12.590 1.835 0.647 0.432 0.889 0.611 CB 1.185 19 residues pruned to eliminate duplicates 6 0.040 0.805 0.577 0.269 0.600 0.600 N 0.031 ? Z: 22 32.520 1.938 1.013 0.928 0.952 0.619 CB 1.338 22 residues pruned to eliminate duplicates Z: 9 13.306 1.860 0.730 0.874 0.875 0.750 CA 1.216 9 residues pruned to eliminate duplicates Z: 39 39.283 2.198 0.733 0.645 0.947 0.526 CA 1.543 39 residues pruned to eliminate duplicates Z: 14 10.831 1.864 0.498 0.453 0.846 0.615 CA 1.333 14 residues pruned to eliminate duplicates Z: 12 8.203 1.736 0.687 0.591 1.000 0.727 CB 0.774 Z: 24 18.293 1.950 0.671 0.548 0.870 0.522 CB 1.285 24 residues pruned to eliminate duplicates Z: 7 6.105 1.663 0.702 0.645 0.833 0.333 CA 0.923 7 residues pruned to eliminate duplicates Z: 12 5.861 1.779 0.367 0.374 0.727 0.455 CB 1.144 12 residues pruned to eliminate duplicates Z: 6 3.847 1.570 -0.006 0.605 0.800 0.800 CB 1.247 5 residues pruned to eliminate duplicates Z: 7 13.763 2.083 1.180 0.532 1.000 0.500 CB 1.199 7 residues pruned to eliminate duplicates Z: 12 11.117 1.946 0.456 0.483 0.909 0.455 CB 1.323 12 residues pruned to eliminate duplicates Z: 9 2.506 1.645 0.631 0.332 0.625 0.500 CB 0.635 Z: 20 13.017 1.903 0.376 0.389 0.947 0.632 CA 1.355 20 residues pruned to eliminate duplicates Z: 6 4.366 1.724 0.200 0.549 0.800 0.800 CB 1.124 9 residues pruned to eliminate duplicates Z: 10 9.087 1.472 0.469 0.790 1.000 0.778 CB 1.086 10 residues pruned to eliminate duplicates 7 1.830 1.249 -0.039 0.434 0.833 0.333 N 0.800 ? Z: 7 4.572 1.459 0.658 0.298 0.833 0.333 CA 1.160 7 residues pruned to eliminate duplicates Z: 9 8.553 1.876 0.276 0.632 0.875 0.875 CB 1.275 9 residues pruned to eliminate duplicates 6 1.892 1.202 -0.039 0.620 0.800 0.800 O 0.817 ? Z: 13 11.093 1.759 0.593 0.564 0.833 0.750 CB 1.289 13 residues pruned to eliminate duplicates Z: 16 3.558 1.460 0.177 0.158 0.867 0.467 CA 0.938 16 residues pruned to eliminate duplicates Z: 10 7.633 1.765 0.370 0.441 0.889 0.667 CA 1.258 10 residues pruned to eliminate duplicates Z: 15 14.143 2.038 0.633 0.389 0.929 0.714 CB 1.376 15 residues pruned to eliminate duplicates Z: 10 7.428 1.911 0.333 0.479 0.889 0.556 CA 1.118 10 residues pruned to eliminate duplicates Z: 14 2.283 1.303 0.330 0.151 0.538 0.308 C 1.042 Z: 6 4.113 1.504 0.008 0.679 1.000 0.400 CA 1.029 Z: 24 13.693 1.927 0.384 0.436 0.870 0.522 CB 1.316 24 residues pruned to eliminate duplicates Z: 12 4.222 1.776 0.382 0.266 0.636 0.455 CB 1.064 12 residues pruned to eliminate duplicates Z: 6 3.651 1.359 0.655 0.296 0.800 0.600 C 1.139 Z: 9 4.186 1.302 0.828 0.351 0.750 0.500 CB 0.974 6 residues pruned to eliminate duplicates Z: 16 14.451 2.058 0.467 0.617 0.867 0.600 CB 1.277 16 residues pruned to eliminate duplicates Z: 15 9.996 1.768 0.366 0.359 0.929 0.643 CA 1.387 15 residues pruned to eliminate duplicates Z: 31 20.238 1.903 0.527 0.495 0.900 0.600 CA 1.419 32 residues pruned to eliminate duplicates Z: 14 14.071 1.942 0.811 0.442 1.000 0.615 CB 1.178 14 residues pruned to eliminate duplicates Z: 7 19.313 2.182 0.751 0.788 1.000 1.000 CA 1.602 7 residues pruned to eliminate duplicates Z: 6 3.208 1.393 0.664 0.375 0.800 0.400 CB 0.885 Z: 23 13.515 1.923 0.381 0.303 0.909 0.455 CA 1.486 23 residues pruned to eliminate duplicates Z: 8 2.092 1.349 0.703 0.266 0.571 0.286 CB 0.786 Z: 32 23.493 1.815 0.587 0.648 0.968 0.677 CB 1.318 15 residues pruned to eliminate duplicates Z: 8 6.994 1.660 0.123 0.729 1.000 0.714 CA 1.154 8 residues pruned to eliminate duplicates Z: 11 4.981 1.632 0.464 0.318 0.600 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 17 8.313 1.795 0.458 0.385 0.875 0.250 CA 1.026 18 residues pruned to eliminate duplicates Z: 7 2.173 1.253 0.781 0.099 0.667 0.167 N 0.995 Z: 8 3.567 1.247 0.561 0.369 0.857 0.429 N 0.930 Z: 8 4.459 1.504 0.344 0.436 0.857 0.429 CA 1.039 Z: 8 3.225 1.583 -0.098 0.372 0.857 0.286 CB 1.142 Z: 24 11.735 1.856 0.365 0.366 0.826 0.522 CB 1.350 24 residues pruned to eliminate duplicates Z: 13 11.176 1.866 0.627 0.385 0.917 0.417 CB 1.311 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 6.739 1.870 0.283 0.487 0.778 0.333 CB 1.219 10 residues pruned to eliminate duplicates Z: 6 7.484 1.737 0.821 0.638 1.000 0.400 CA 0.930 7 residues pruned to eliminate duplicates Z: 7 7.639 1.703 0.551 0.677 1.000 0.500 CA 1.003 7 residues pruned to eliminate duplicates Z: 11 6.318 1.746 0.236 0.429 0.800 0.500 CB 1.245 9 residues pruned to eliminate duplicates Z: 6 6.686 1.904 0.555 0.555 0.800 0.200 CB 1.197 6 residues pruned to eliminate duplicates Z: 10 5.776 1.733 0.402 0.509 0.889 0.333 CB 0.884 11 residues pruned to eliminate duplicates Z: 10 5.750 1.763 0.518 0.427 0.667 0.556 CB 1.159 9 residues pruned to eliminate duplicates Z: 7 8.203 1.841 0.923 0.394 0.833 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 9 10.352 1.939 0.681 0.452 0.875 0.500 CA 1.348 7 residues pruned to eliminate duplicates Z: 7 6.176 1.480 0.875 0.538 0.833 0.667 CA 1.051 6 residues pruned to eliminate duplicates Z: 6 6.219 1.343 1.196 0.624 1.000 0.200 CA 0.838 6 residues pruned to eliminate duplicates Z: 18 8.147 1.847 0.446 0.198 0.882 0.235 CB 1.202 16 residues pruned to eliminate duplicates Z: 7 10.771 1.965 0.439 0.599 1.000 0.333 CB 1.414 7 residues pruned to eliminate duplicates Z: 23 17.647 1.943 0.587 0.445 0.909 0.455 CA 1.421 23 residues pruned to eliminate duplicates Z: 26 16.130 1.936 0.439 0.459 0.880 0.440 CA 1.372 26 residues pruned to eliminate duplicates Z: 27 18.851 1.924 0.612 0.412 0.923 0.538 CA 1.416 27 residues pruned to eliminate duplicates Z: 9 8.945 1.634 0.307 0.674 1.000 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 22 19.718 1.952 0.636 0.455 0.952 0.667 CB 1.481 22 residues pruned to eliminate duplicates Z: 27 19.409 1.928 0.590 0.470 0.923 0.577 CB 1.387 27 residues pruned to eliminate duplicates Z: 8 4.787 1.478 0.437 0.314 1.000 0.571 CA 1.046 8 residues pruned to eliminate duplicates Z: 25 17.475 1.956 0.508 0.483 0.917 0.667 CA 1.341 25 residues pruned to eliminate duplicates Z: 20 19.423 1.993 0.639 0.479 0.947 0.737 CB 1.470 20 residues pruned to eliminate duplicates 6 1.699 1.434 0.383 0.225 0.800 0.200 CA 0.661 ? Z: 6 5.724 1.867 0.824 0.593 0.800 0.600 CA 0.860 6 residues pruned to eliminate duplicates Z: 19 10.774 1.876 0.579 0.421 0.833 0.389 CB 1.117 19 residues pruned to eliminate duplicates Z: 7 6.489 1.803 0.746 0.339 0.833 0.333 CA 1.203 7 residues pruned to eliminate duplicates Z: 19 9.861 1.850 0.595 0.350 0.778 0.389 CB 1.191 19 residues pruned to eliminate duplicates Z: 18 9.924 1.884 0.412 0.405 0.824 0.353 CB 1.215 18 residues pruned to eliminate duplicates Z: 17 11.859 1.920 0.481 0.428 0.938 0.438 CA 1.198 17 residues pruned to eliminate duplicates Z: 17 13.741 1.930 0.556 0.446 0.938 0.562 CA 1.290 17 residues pruned to eliminate duplicates Z: 13 8.106 1.734 0.471 0.422 0.833 0.667 CB 1.195 13 residues pruned to eliminate duplicates Z: 16 13.731 1.959 0.558 0.470 0.933 0.400 CA 1.283 16 residues pruned to eliminate duplicates Z: 20 10.048 1.822 0.504 0.359 0.842 0.368 CB 1.164 20 residues pruned to eliminate duplicates Z: 10 8.520 1.917 0.309 0.534 0.889 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 10 9.697 2.010 0.422 0.524 0.889 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 11 9.874 1.961 0.384 0.509 0.900 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 17 10.828 1.884 0.561 0.438 0.812 0.438 CB 1.207 17 residues pruned to eliminate duplicates Z: 19 11.897 1.843 0.599 0.388 0.889 0.556 CB 1.205 19 residues pruned to eliminate duplicates Z: 13 6.312 1.793 0.636 0.306 0.667 0.333 CA 1.156 13 residues pruned to eliminate duplicates Z: 8 11.847 1.953 0.804 0.549 0.857 0.429 CA 1.413 8 residues pruned to eliminate duplicates Z: 6 3.612 1.552 0.347 0.243 0.800 0.400 CA 1.300 6 residues pruned to eliminate duplicates Z: 15 11.700 1.936 0.312 0.401 0.929 0.643 CB 1.471 15 residues pruned to eliminate duplicates Z: 20 15.331 1.916 0.388 0.424 0.947 0.526 CB 1.510 20 residues pruned to eliminate duplicates Z: 38 22.928 2.028 0.423 0.445 0.946 0.514 CA 1.461 38 residues pruned to eliminate duplicates Z: 38 24.491 2.028 0.485 0.461 0.973 0.568 CA 1.431 38 residues pruned to eliminate duplicates Z: 37 16.813 1.898 0.345 0.385 0.889 0.556 CB 1.395 37 residues pruned to eliminate duplicates Z: 37 23.541 2.043 0.423 0.460 0.972 0.528 CA 1.446 37 residues pruned to eliminate duplicates Z: 38 21.367 1.994 0.402 0.429 0.946 0.459 CA 1.431 38 residues pruned to eliminate duplicates Z: 36 24.590 2.073 0.468 0.485 0.943 0.543 CA 1.470 36 residues pruned to eliminate duplicates Z: 37 22.687 2.032 0.442 0.476 0.944 0.611 CA 1.401 37 residues pruned to eliminate duplicates Z: 37 21.819 2.051 0.435 0.458 0.889 0.583 CA 1.451 37 residues pruned to eliminate duplicates Z: 38 20.432 2.005 0.488 0.446 0.865 0.541 CA 1.377 38 residues pruned to eliminate duplicates Z: 37 23.069 2.035 0.516 0.441 0.944 0.583 CA 1.402 37 residues pruned to eliminate duplicates Z: 36 22.644 2.062 0.476 0.444 0.914 0.571 CA 1.457 36 residues pruned to eliminate duplicates Z: 40 23.074 1.990 0.433 0.431 0.974 0.513 CB 1.428 40 residues pruned to eliminate duplicates Z: 36 25.245 2.101 0.473 0.482 0.971 0.571 CA 1.446 36 residues pruned to eliminate duplicates Z: 35 25.235 2.083 0.565 0.485 0.971 0.647 CA 1.388 35 residues pruned to eliminate duplicates Z: 25 16.209 2.053 0.455 0.489 0.875 0.667 CA 1.279 25 residues pruned to eliminate duplicates Z: 29 19.593 2.119 0.422 0.452 0.929 0.607 CA 1.389 29 residues pruned to eliminate duplicates Z: 23 19.537 2.157 0.416 0.545 0.955 0.591 CA 1.367 23 residues pruned to eliminate duplicates Z: 36 20.914 2.085 0.437 0.432 0.886 0.543 CA 1.429 36 residues pruned to eliminate duplicates Z: 39 19.206 1.992 0.393 0.419 0.868 0.526 CA 1.406 39 residues pruned to eliminate duplicates Z: 23 19.087 2.090 0.486 0.540 0.909 0.591 CA 1.386 23 residues pruned to eliminate duplicates Z: 24 14.614 2.002 0.530 0.450 0.783 0.522 CB 1.337 24 residues pruned to eliminate duplicates Z: 36 21.885 2.081 0.476 0.468 0.886 0.600 CA 1.404 36 residues pruned to eliminate duplicates Z: 38 17.615 1.993 0.449 0.426 0.838 0.514 CB 1.293 38 residues pruned to eliminate duplicates Z: 37 21.810 2.060 0.480 0.459 0.861 0.556 CA 1.444 37 residues pruned to eliminate duplicates Z: 10 10.785 2.082 0.785 0.612 0.778 0.556 CB 1.119 10 residues pruned to eliminate duplicates Z: 10 14.039 2.109 0.863 0.624 0.889 0.667 CB 1.192 10 residues pruned to eliminate duplicates Z: 37 19.659 2.014 0.481 0.458 0.806 0.583 CB 1.423 37 residues pruned to eliminate duplicates Z: 38 21.472 1.993 0.479 0.443 0.919 0.568 CA 1.382 38 residues pruned to eliminate duplicates Z: 36 27.288 2.093 0.570 0.499 0.943 0.600 CA 1.490 36 residues pruned to eliminate duplicates Z: 22 9.864 1.902 0.291 0.340 0.762 0.524 CB 1.371 22 residues pruned to eliminate duplicates Z: 9 4.074 1.737 0.365 0.279 0.750 0.500 CA 1.040 8 residues pruned to eliminate duplicates Z: 6 4.295 1.595 0.332 0.321 1.000 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 22 14.713 1.957 0.507 0.413 0.810 0.524 CA 1.474 22 residues pruned to eliminate duplicates Z: 11 12.561 2.109 0.472 0.506 0.900 0.800 CB 1.414 11 residues pruned to eliminate duplicates Z: 23 12.732 2.003 0.502 0.348 0.818 0.500 CB 1.301 23 residues pruned to eliminate duplicates Z: 24 13.474 1.945 0.517 0.334 0.870 0.565 CB 1.314 25 residues pruned to eliminate duplicates Z: 7 9.559 1.685 0.733 0.692 1.000 0.833 CB 1.121 7 residues pruned to eliminate duplicates Z: 29 11.621 1.832 0.418 0.346 0.750 0.536 CB 1.332 29 residues pruned to eliminate duplicates Z: 13 11.557 2.092 0.425 0.424 0.917 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 17 7.168 1.974 0.482 0.223 0.688 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 25 12.934 1.959 0.475 0.361 0.792 0.458 CB 1.341 25 residues pruned to eliminate duplicates Z: 6 5.129 1.564 1.032 0.421 0.600 0.200 CA 1.305 6 residues pruned to eliminate duplicates Z: 12 9.434 1.853 0.748 0.328 0.909 0.455 CA 1.167 12 residues pruned to eliminate duplicates Z: 13 6.492 1.921 0.442 0.325 0.667 0.333 CB 1.229 13 residues pruned to eliminate duplicates Z: 14 7.618 1.819 0.398 0.359 0.692 0.462 CB 1.397 14 residues pruned to eliminate duplicates Z: 81 37.999 2.061 0.533 0.522 0.900 0.550 CA 1.462 81 residues pruned to eliminate duplicates Z: 75 31.313 2.054 0.360 0.484 0.878 0.554 CA 1.508 75 residues pruned to eliminate duplicates Z: 13 6.365 1.934 0.195 0.345 0.667 0.417 CB 1.411 13 residues pruned to eliminate duplicates Z: 29 15.773 2.009 0.332 0.452 0.821 0.536 CB 1.424 29 residues pruned to eliminate duplicates Z: 42 26.057 2.003 0.452 0.569 0.927 0.634 CA 1.411 42 residues pruned to eliminate duplicates Z: 33 26.531 2.057 0.472 0.617 0.938 0.688 CA 1.479 33 residues pruned to eliminate duplicates Z: 42 30.638 2.094 0.403 0.662 0.927 0.683 CB 1.511 42 residues pruned to eliminate duplicates Z: 33 22.329 2.058 0.333 0.642 0.906 0.688 CA 1.390 33 residues pruned to eliminate duplicates Z: 59 28.249 2.021 0.492 0.513 0.897 0.569 CA 1.354 59 residues pruned to eliminate duplicates Z: 67 37.959 2.108 0.437 0.580 0.939 0.591 CA 1.520 67 residues pruned to eliminate duplicates Z: 64 38.582 2.109 0.488 0.578 0.937 0.571 CA 1.534 64 residues pruned to eliminate duplicates Z: 75 41.891 2.075 0.572 0.573 0.932 0.635 CA 1.492 75 residues pruned to eliminate duplicates Z: 44 28.119 2.058 0.415 0.647 0.884 0.651 CA 1.452 44 residues pruned to eliminate duplicates Z: 75 38.946 2.083 0.502 0.552 0.892 0.595 CB 1.542 75 residues pruned to eliminate duplicates Z: 35 31.356 2.093 0.637 0.609 0.912 0.618 CA 1.552 35 residues pruned to eliminate duplicates Z: 71 36.739 2.054 0.498 0.532 0.914 0.514 CA 1.513 71 residues pruned to eliminate duplicates Z: 74 40.855 2.088 0.574 0.582 0.890 0.603 CA 1.510 74 residues pruned to eliminate duplicates Z: 67 38.368 2.114 0.519 0.538 0.924 0.561 CA 1.533 67 residues pruned to eliminate duplicates Z: 68 37.815 2.088 0.489 0.554 0.925 0.612 CB 1.524 68 residues pruned to eliminate duplicates Z: 26 25.902 2.119 0.554 0.675 0.880 0.600 CA 1.521 26 residues pruned to eliminate duplicates Z: 66 39.893 2.109 0.600 0.547 0.892 0.492 CA 1.570 66 residues pruned to eliminate duplicates Z: 68 37.871 2.105 0.404 0.570 0.925 0.552 CB 1.581 68 residues pruned to eliminate duplicates Z: 43 35.034 2.079 0.568 0.670 0.976 0.643 CB 1.452 43 residues pruned to eliminate duplicates Z: 69 39.372 2.063 0.595 0.525 0.956 0.544 CA 1.481 69 residues pruned to eliminate duplicates Z: 75 40.769 2.084 0.581 0.555 0.892 0.486 CA 1.528 75 residues pruned to eliminate duplicates Z: 66 36.646 2.110 0.491 0.555 0.908 0.554 CA 1.508 66 residues pruned to eliminate duplicates Z: 73 41.279 2.091 0.602 0.556 0.903 0.514 CA 1.524 73 residues pruned to eliminate duplicates Z: 35 28.848 2.048 0.577 0.633 0.912 0.500 CB 1.483 35 residues pruned to eliminate duplicates Z: 35 26.452 2.091 0.491 0.566 0.882 0.500 CA 1.546 35 residues pruned to eliminate duplicates Z: 40 24.323 1.941 0.569 0.523 0.897 0.564 CA 1.392 40 residues pruned to eliminate duplicates Z: 40 33.941 2.081 0.624 0.661 0.923 0.538 CB 1.501 40 residues pruned to eliminate duplicates Z: 49 41.275 2.126 0.652 0.660 0.938 0.604 CB 1.560 49 residues pruned to eliminate duplicates Z: 76 37.599 2.044 0.561 0.532 0.880 0.507 CA 1.499 76 residues pruned to eliminate duplicates Z: 28 24.349 2.021 0.497 0.547 1.000 0.630 CB 1.480 28 residues pruned to eliminate duplicates Z: 35 34.761 2.080 0.686 0.712 0.941 0.471 CB 1.491 35 residues pruned to eliminate duplicates Z: 53 37.383 2.088 0.536 0.598 0.942 0.538 CB 1.563 53 residues pruned to eliminate duplicates Z: 67 34.999 2.054 0.543 0.520 0.864 0.439 CB 1.543 67 residues pruned to eliminate duplicates Z: 80 38.871 2.057 0.526 0.544 0.873 0.506 CB 1.528 80 residues pruned to eliminate duplicates Z: 68 41.908 2.103 0.560 0.570 0.940 0.478 CB 1.552 68 residues pruned to eliminate duplicates Z: 33 32.248 2.064 0.748 0.721 0.906 0.469 CA 1.429 33 residues pruned to eliminate duplicates Z: 77 40.737 2.086 0.517 0.535 0.908 0.513 CB 1.572 77 residues pruned to eliminate duplicates Z: 40 28.236 2.030 0.679 0.473 0.923 0.513 CB 1.477 40 residues pruned to eliminate duplicates Z: 52 35.838 2.102 0.456 0.627 0.941 0.588 CA 1.546 52 residues pruned to eliminate duplicates Z: 74 39.463 2.104 0.491 0.564 0.904 0.548 CA 1.530 74 residues pruned to eliminate duplicates Z: 37 25.265 1.967 0.566 0.657 0.889 0.528 CB 1.329 37 residues pruned to eliminate duplicates Z: 79 39.637 2.068 0.536 0.521 0.897 0.513 CB 1.542 79 residues pruned to eliminate duplicates Z: 39 31.089 2.109 0.641 0.486 0.947 0.526 CB 1.560 39 residues pruned to eliminate duplicates Z: 70 41.190 2.086 0.586 0.532 0.942 0.522 CA 1.542 70 residues pruned to eliminate duplicates Z: 67 43.225 2.119 0.638 0.556 0.924 0.576 CA 1.571 67 residues pruned to eliminate duplicates Z: 30 14.904 1.937 0.692 0.282 0.793 0.345 CA 1.362 30 residues pruned to eliminate duplicates Z: 39 26.175 2.061 0.579 0.500 0.868 0.500 CB 1.503 39 residues pruned to eliminate duplicates Z: 66 39.632 2.120 0.542 0.557 0.938 0.523 CA 1.516 66 residues pruned to eliminate duplicates Z: 28 25.122 2.026 0.728 0.424 0.926 0.444 CA 1.613 28 residues pruned to eliminate duplicates Z: 72 41.654 2.094 0.561 0.550 0.915 0.465 CA 1.574 72 residues pruned to eliminate duplicates Z: 58 37.974 2.095 0.643 0.562 0.877 0.474 CA 1.569 58 residues pruned to eliminate duplicates Z: 47 30.482 2.064 0.592 0.492 0.913 0.500 CB 1.510 47 residues pruned to eliminate duplicates Z: 39 28.651 2.081 0.638 0.473 0.921 0.474 CB 1.522 39 residues pruned to eliminate duplicates Z: 34 20.242 2.020 0.578 0.392 0.848 0.515 CB 1.461 34 residues pruned to eliminate duplicates Z: 55 33.122 2.052 0.546 0.522 0.926 0.389 CB 1.502 55 residues pruned to eliminate duplicates Z: 19 13.085 2.060 0.469 0.323 0.889 0.500 CA 1.392 19 residues pruned to eliminate duplicates Z: 80 37.879 2.046 0.522 0.526 0.886 0.532 CA 1.506 80 residues pruned to eliminate duplicates Z: 16 14.152 2.064 0.628 0.369 0.867 0.467 CA 1.444 16 residues pruned to eliminate duplicates Z: 36 18.563 1.981 0.575 0.343 0.800 0.400 CB 1.490 36 residues pruned to eliminate duplicates Z: 67 37.003 2.095 0.548 0.535 0.879 0.500 CB 1.544 67 residues pruned to eliminate duplicates Z: 39 28.238 2.088 0.592 0.445 0.947 0.526 CB 1.539 39 residues pruned to eliminate duplicates Z: 47 27.781 2.052 0.450 0.474 0.935 0.652 CB 1.513 47 residues pruned to eliminate duplicates Z: 21 13.447 2.026 0.290 0.504 0.850 0.650 CB 1.348 17 residues pruned to eliminate duplicates Z: 10 9.498 1.794 0.336 0.688 0.889 0.667 CA 1.251 10 residues pruned to eliminate duplicates Z: 39 27.874 2.079 0.635 0.449 0.921 0.579 CB 1.523 39 residues pruned to eliminate duplicates Z: 76 39.823 2.064 0.529 0.538 0.907 0.520 CB 1.548 76 residues pruned to eliminate duplicates Z: 48 28.721 2.058 0.511 0.481 0.915 0.511 CA 1.501 48 residues pruned to eliminate duplicates Z: 35 19.106 1.977 0.565 0.343 0.853 0.471 CA 1.472 44 residues pruned to eliminate duplicates Z: 10 12.727 1.646 0.701 0.803 1.000 0.778 CB 1.163 10 residues pruned to eliminate duplicates Z: 66 39.022 2.057 0.563 0.552 0.938 0.477 CA 1.525 66 residues pruned to eliminate duplicates Z: 31 15.622 1.905 0.387 0.367 0.900 0.433 CA 1.383 31 residues pruned to eliminate duplicates Z: 25 15.194 1.983 0.412 0.456 0.917 0.625 CA 1.263 27 residues pruned to eliminate duplicates Z: 6 4.483 1.617 0.718 0.185 1.000 0.400 CA 1.053 6 residues pruned to eliminate duplicates Z: 12 10.275 1.941 0.330 0.535 0.909 0.727 CA 1.275 12 residues pruned to eliminate duplicates Z: 13 10.824 2.028 0.442 0.406 0.750 0.417 CB 1.571 13 residues pruned to eliminate duplicates Z: 28 16.203 1.991 0.478 0.387 0.852 0.630 CA 1.403 28 residues pruned to eliminate duplicates Z: 10 18.373 2.268 0.416 0.552 1.000 0.556 CB 1.813 14 residues pruned to eliminate duplicates Z: 6 7.044 1.660 0.850 0.469 1.000 0.800 CB 1.058 6 residues pruned to eliminate duplicates Z: 12 14.994 2.083 0.603 0.504 0.818 0.636 CB 1.649 12 residues pruned to eliminate duplicates Z: 34 15.723 1.942 0.175 0.475 0.879 0.606 CB 1.399 34 residues pruned to eliminate duplicates Z: 13 10.349 1.849 0.546 0.456 0.833 0.583 CA 1.312 13 residues pruned to eliminate duplicates Z: 13 14.012 2.056 0.424 0.546 0.917 0.500 CB 1.441 13 residues pruned to eliminate duplicates Z: 25 14.980 1.974 0.165 0.535 0.875 0.625 CA 1.469 25 residues pruned to eliminate duplicates Z: 11 16.621 2.177 0.499 0.573 0.900 0.500 CB 1.667 11 residues pruned to eliminate duplicates Z: 43 18.410 1.865 0.398 0.396 0.881 0.571 CA 1.380 43 residues pruned to eliminate duplicates Z: 37 23.160 1.968 0.655 0.465 0.833 0.556 CB 1.474 37 residues pruned to eliminate duplicates Z: 6 5.378 1.735 0.770 0.424 0.800 0.400 CB 1.061 6 residues pruned to eliminate duplicates Z: 34 18.312 1.949 0.488 0.378 0.848 0.545 CB 1.475 34 residues pruned to eliminate duplicates Z: 21 9.096 1.910 0.267 0.291 0.850 0.600 CB 1.249 21 residues pruned to eliminate duplicates Z: 23 11.232 1.888 0.356 0.333 0.909 0.455 CB 1.235 23 residues pruned to eliminate duplicates Z: 38 17.434 2.008 0.402 0.368 0.811 0.541 CB 1.447 38 residues pruned to eliminate duplicates Z: 23 8.838 1.817 0.355 0.256 0.773 0.409 CA 1.311 23 residues pruned to eliminate duplicates Z: 33 13.002 1.891 0.337 0.337 0.812 0.438 CB 1.337 33 residues pruned to eliminate duplicates Z: 21 7.657 1.945 0.194 0.248 0.750 0.400 CB 1.314 21 residues pruned to eliminate duplicates Z: 63 25.133 1.964 0.380 0.405 0.919 0.581 CB 1.415 63 residues pruned to eliminate duplicates Z: 42 16.622 1.930 0.428 0.338 0.805 0.341 CB 1.397 42 residues pruned to eliminate duplicates Z: 14 8.700 1.861 0.193 0.355 0.846 0.538 C 1.503 14 residues pruned to eliminate duplicates Z: 17 8.590 1.881 0.266 0.350 0.750 0.562 CB 1.416 17 residues pruned to eliminate duplicates Z: 17 8.552 1.888 0.101 0.342 0.812 0.562 CB 1.504 17 residues pruned to eliminate duplicates Z: 22 7.714 1.860 0.240 0.284 0.714 0.476 CB 1.303 22 residues pruned to eliminate duplicates Z: 15 8.479 1.971 0.138 0.251 0.857 0.214 CB 1.570 15 residues pruned to eliminate duplicates Z: 21 15.790 1.849 0.402 0.433 0.950 0.400 CB 1.538 21 residues pruned to eliminate duplicates Z: 10 5.243 1.689 0.075 0.379 0.889 0.444 CB 1.232 10 residues pruned to eliminate duplicates Z: 63 23.957 1.977 0.402 0.400 0.839 0.548 CB 1.453 63 residues pruned to eliminate duplicates Z: 28 14.996 1.928 0.413 0.344 0.815 0.444 CA 1.540 28 residues pruned to eliminate duplicates Z: 16 14.399 1.892 0.577 0.434 0.933 0.533 CA 1.430 16 residues pruned to eliminate duplicates Z: 15 11.826 1.749 0.751 0.427 0.857 0.571 CA 1.300 15 residues pruned to eliminate duplicates Z: 21 13.320 1.883 0.388 0.356 0.900 0.500 CA 1.479 21 residues pruned to eliminate duplicates Z: 30 16.201 1.973 0.499 0.363 0.828 0.517 CA 1.424 30 residues pruned to eliminate duplicates Z: 17 8.054 1.852 0.509 0.204 0.750 0.250 CA 1.365 17 residues pruned to eliminate duplicates Z: 26 12.647 1.896 0.483 0.346 0.760 0.440 CA 1.399 26 residues pruned to eliminate duplicates Z: 17 9.474 1.909 0.506 0.269 0.750 0.312 CA 1.428 17 residues pruned to eliminate duplicates Z: 54 20.457 1.880 0.483 0.353 0.887 0.547 CB 1.333 54 residues pruned to eliminate duplicates Z: 8 5.449 1.866 0.460 0.271 0.714 0.286 CA 1.372 8 residues pruned to eliminate duplicates Z: 18 7.064 1.739 0.581 0.291 0.647 0.412 CB 1.218 18 residues pruned to eliminate duplicates Z: 27 13.417 1.891 0.391 0.375 0.808 0.500 CA 1.415 27 residues pruned to eliminate duplicates Z: 20 10.577 1.933 0.316 0.347 0.842 0.421 CB 1.337 20 residues pruned to eliminate duplicates Z: 29 13.621 1.896 0.411 0.332 0.821 0.357 CA 1.408 29 residues pruned to eliminate duplicates Z: 22 13.494 1.883 0.494 0.359 1.000 0.571 CB 1.219 22 residues pruned to eliminate duplicates Z: 19 13.759 1.967 0.394 0.373 1.000 0.389 CB 1.355 19 residues pruned to eliminate duplicates Z: 14 11.754 1.918 0.381 0.460 1.000 0.538 CA 1.282 14 residues pruned to eliminate duplicates Z: 12 11.999 2.032 0.230 0.472 1.000 0.727 CA 1.488 12 residues pruned to eliminate duplicates Z: 14 11.211 1.870 0.489 0.465 0.923 0.538 CA 1.254 14 residues pruned to eliminate duplicates Z: 18 6.957 1.737 0.459 0.291 0.765 0.294 CA 1.100 18 residues pruned to eliminate duplicates Z: 13 12.611 1.985 0.505 0.461 1.000 0.583 CA 1.268 13 residues pruned to eliminate duplicates Z: 11 10.227 2.055 0.439 0.410 1.000 0.600 CA 1.202 11 residues pruned to eliminate duplicates Z: 15 8.289 1.884 0.445 0.332 0.929 0.429 CA 1.053 15 residues pruned to eliminate duplicates Z: 39 16.310 1.939 0.494 0.346 0.842 0.474 CA 1.281 39 residues pruned to eliminate duplicates Z: 16 11.511 1.777 0.380 0.428 0.933 0.600 CA 1.399 16 residues pruned to eliminate duplicates Z: 19 13.673 1.982 0.575 0.416 0.833 0.611 CA 1.353 19 residues pruned to eliminate duplicates Z: 21 11.790 1.850 0.555 0.401 0.750 0.250 CA 1.357 21 residues pruned to eliminate duplicates Z: 29 16.844 2.030 0.504 0.436 0.821 0.536 CA 1.357 29 residues pruned to eliminate duplicates Z: 30 14.897 1.832 0.545 0.447 0.828 0.517 CA 1.247 30 residues pruned to eliminate duplicates Z: 34 14.645 1.927 0.479 0.299 0.818 0.424 CB 1.368 34 residues pruned to eliminate duplicates Z: 30 17.258 1.988 0.429 0.415 0.862 0.586 CA 1.430 30 residues pruned to eliminate duplicates Z: 17 8.645 1.998 0.258 0.287 0.812 0.500 CB 1.344 17 residues pruned to eliminate duplicates Z: 29 18.095 2.003 0.396 0.409 0.893 0.571 CB 1.507 29 residues pruned to eliminate duplicates Z: 24 14.837 2.051 0.493 0.379 0.783 0.565 CB 1.468 24 residues pruned to eliminate duplicates Z: 16 9.585 2.065 0.226 0.353 0.800 0.600 CA 1.432 16 residues pruned to eliminate duplicates Z: 14 9.314 2.085 0.295 0.320 0.769 0.385 CB 1.517 14 residues pruned to eliminate duplicates Z: 16 10.444 2.139 0.231 0.404 0.733 0.533 CA 1.545 16 residues pruned to eliminate duplicates Z: 27 12.000 1.785 0.535 0.310 0.731 0.346 CA 1.452 27 residues pruned to eliminate duplicates Z: 37 18.274 1.971 0.496 0.348 0.917 0.472 CA 1.328 37 residues pruned to eliminate duplicates Z: 14 8.268 1.998 0.301 0.302 0.769 0.308 CB 1.430 14 residues pruned to eliminate duplicates Z: 22 10.863 2.048 0.333 0.284 0.714 0.476 CB 1.551 22 residues pruned to eliminate duplicates Z: 23 11.876 1.977 0.456 0.295 0.773 0.364 CA 1.432 23 residues pruned to eliminate duplicates Z: 9 3.970 1.907 0.214 0.198 0.500 0.125 N 1.737 9 residues pruned to eliminate duplicates Z: 57 27.285 2.033 0.338 0.468 0.875 0.625 CA 1.582 57 residues pruned to eliminate duplicates Z: 34 25.354 1.993 0.408 0.618 0.848 0.636 CB 1.658 34 residues pruned to eliminate duplicates Z: 21 13.357 2.082 0.427 0.346 0.750 0.350 CB 1.585 21 residues pruned to eliminate duplicates Z: 32 28.193 2.030 0.337 0.632 0.968 0.645 CB 1.704 32 residues pruned to eliminate duplicates Z: 30 26.584 2.119 0.349 0.596 0.931 0.586 CA 1.693 30 residues pruned to eliminate duplicates Z: 59 27.429 2.038 0.342 0.475 0.862 0.621 CB 1.566 59 residues pruned to eliminate duplicates Z: 25 26.229 2.113 0.240 0.748 0.958 0.792 CB 1.709 25 residues pruned to eliminate duplicates Z: 31 23.657 2.063 0.347 0.601 0.867 0.700 CA 1.629 31 residues pruned to eliminate duplicates Z: 26 29.902 2.116 0.398 0.723 1.000 0.760 CB 1.653 26 residues pruned to eliminate duplicates Z: 30 28.447 2.120 0.426 0.636 0.897 0.690 CA 1.715 30 residues pruned to eliminate duplicates Z: 32 25.565 2.079 0.384 0.605 0.839 0.645 CB 1.722 32 residues pruned to eliminate duplicates Z: 32 24.993 2.103 0.349 0.575 0.871 0.677 CB 1.690 32 residues pruned to eliminate duplicates Z: 30 25.853 2.132 0.273 0.647 0.897 0.759 CA 1.720 30 residues pruned to eliminate duplicates Z: 45 21.772 1.901 0.335 0.512 0.864 0.614 CB 1.480 45 residues pruned to eliminate duplicates Z: 33 26.683 2.032 0.332 0.600 0.969 0.625 CB 1.636 33 residues pruned to eliminate duplicates Z: 21 19.968 2.125 0.330 0.691 0.850 0.650 CB 1.561 21 residues pruned to eliminate duplicates Z: 19 26.992 2.197 0.580 0.753 0.944 0.667 CB 1.548 19 residues pruned to eliminate duplicates Z: 32 32.161 2.112 0.565 0.620 0.903 0.581 CB 1.727 32 residues pruned to eliminate duplicates Z: 23 21.794 2.077 0.436 0.658 0.909 0.636 CB 1.480 23 residues pruned to eliminate duplicates Z: 33 28.928 2.056 0.556 0.587 0.906 0.625 CB 1.623 33 residues pruned to eliminate duplicates Z: 33 28.740 2.031 0.520 0.598 0.906 0.594 CB 1.654 33 residues pruned to eliminate duplicates Z: 25 26.696 2.079 0.457 0.766 0.917 0.750 CB 1.550 25 residues pruned to eliminate duplicates Z: 25 22.921 2.069 0.352 0.716 0.917 0.542 CB 1.500 25 residues pruned to eliminate duplicates Z: 14 15.879 2.033 0.278 0.880 0.846 0.385 CB 1.451 14 residues pruned to eliminate duplicates Z: 31 28.373 2.053 0.501 0.679 0.867 0.567 CA 1.645 31 residues pruned to eliminate duplicates Z: 31 27.125 2.077 0.480 0.602 0.867 0.567 CB 1.687 31 residues pruned to eliminate duplicates Z: 60 38.032 2.105 0.589 0.561 0.898 0.610 CB 1.553 60 residues pruned to eliminate duplicates Z: 37 23.450 1.972 0.507 0.546 0.806 0.361 CB 1.560 37 residues pruned to eliminate duplicates Z: 31 26.358 2.096 0.547 0.598 0.833 0.333 CB 1.622 31 residues pruned to eliminate duplicates Z: 9 7.653 1.934 0.130 0.441 0.875 0.625 CB 1.505 9 residues pruned to eliminate duplicates Z: 13 7.063 1.841 0.205 0.335 0.750 0.500 CB 1.468 13 residues pruned to eliminate duplicates Z: 17 9.651 1.791 0.315 0.493 0.812 0.500 CB 1.270 17 residues pruned to eliminate duplicates Z: 33 26.175 2.167 0.653 0.487 0.844 0.562 CB 1.551 33 residues pruned to eliminate duplicates Z: 17 16.325 2.105 0.579 0.402 0.938 0.438 CB 1.451 17 residues pruned to eliminate duplicates Z: 35 29.810 2.116 0.740 0.478 0.912 0.500 CA 1.558 35 residues pruned to eliminate duplicates Z: 51 25.753 2.073 0.505 0.388 0.860 0.560 CA 1.529 51 residues pruned to eliminate duplicates Z: 37 23.228 2.060 0.620 0.422 0.833 0.417 CA 1.511 37 residues pruned to eliminate duplicates Z: 7 5.209 1.462 0.764 0.324 1.000 0.500 CA 1.000 7 residues pruned to eliminate duplicates Z: 28 27.043 2.203 0.732 0.484 0.926 0.667 CB 1.497 28 residues pruned to eliminate duplicates Z: 10 7.129 1.651 0.578 0.609 0.889 0.556 CA 0.925 10 residues pruned to eliminate duplicates Z: 33 22.273 2.180 0.469 0.433 0.844 0.531 CB 1.561 33 residues pruned to eliminate duplicates Z: 17 11.177 1.898 0.870 0.202 1.000 0.438 CB 1.122 17 residues pruned to eliminate duplicates Z: 35 24.304 2.127 0.545 0.463 0.882 0.529 CB 1.493 35 residues pruned to eliminate duplicates Z: 33 25.427 2.156 0.577 0.450 0.906 0.656 CB 1.535 33 residues pruned to eliminate duplicates Z: 36 28.159 2.112 0.657 0.448 0.971 0.629 CB 1.476 36 residues pruned to eliminate duplicates Z: 29 25.121 2.239 0.570 0.391 0.964 0.536 CB 1.571 29 residues pruned to eliminate duplicates Z: 35 26.086 2.132 0.613 0.436 0.941 0.559 CB 1.477 35 residues pruned to eliminate duplicates Z: 30 28.622 2.241 0.582 0.503 0.966 0.621 CB 1.548 30 residues pruned to eliminate duplicates Z: 58 31.537 2.096 0.528 0.514 0.842 0.614 CB 1.527 58 residues pruned to eliminate duplicates Z: 16 19.218 2.309 0.578 0.467 0.867 0.600 CA 1.626 16 residues pruned to eliminate duplicates Z: 28 25.281 2.231 0.662 0.456 0.926 0.519 CB 1.482 28 residues pruned to eliminate duplicates Z: 29 27.251 2.180 0.767 0.454 0.929 0.500 CB 1.509 29 residues pruned to eliminate duplicates Z: 32 27.932 2.222 0.617 0.416 0.968 0.484 CB 1.576 32 residues pruned to eliminate duplicates Z: 10 15.590 1.966 0.639 0.665 1.000 0.556 CB 1.385 10 residues pruned to eliminate duplicates Z: 27 26.742 2.221 0.669 0.428 0.962 0.538 CB 1.586 27 residues pruned to eliminate duplicates Z: 35 27.942 2.116 0.588 0.456 0.971 0.471 CA 1.537 35 residues pruned to eliminate duplicates Z: 13 14.183 2.014 0.525 0.637 0.917 0.583 CB 1.279 13 residues pruned to eliminate duplicates Z: 10 11.485 1.739 0.597 0.790 1.000 0.667 CA 1.069 10 residues pruned to eliminate duplicates Z: 21 24.062 2.171 0.605 0.529 0.900 0.500 CB 1.669 21 residues pruned to eliminate duplicates Z: 10 15.073 1.754 0.588 0.802 1.000 0.333 CB 1.385 9 residues pruned to eliminate duplicates Z: 6 4.714 1.508 0.773 0.354 1.000 0.600 CA 0.923 4 residues pruned to eliminate duplicates Z: 6 5.549 1.387 0.827 0.436 1.000 0.800 N 1.047 6 residues pruned to eliminate duplicates Z: 11 9.664 2.024 0.655 0.217 1.000 0.500 CA 1.273 11 residues pruned to eliminate duplicates Z: 10 7.651 2.086 0.459 0.184 0.889 0.333 CB 1.378 10 residues pruned to eliminate duplicates Z: 31 13.848 1.902 0.581 0.309 0.833 0.433 CA 1.248 31 residues pruned to eliminate duplicates Z: 34 18.402 1.992 0.530 0.342 0.939 0.455 CB 1.328 39 residues pruned to eliminate duplicates Z: 9 5.407 1.655 0.384 0.368 1.000 0.500 CB 0.961 9 residues pruned to eliminate duplicates Z: 12 5.320 1.934 0.404 0.129 0.818 0.455 CA 1.149 12 residues pruned to eliminate duplicates Z: 30 14.710 2.002 0.499 0.283 0.828 0.517 CA 1.406 30 residues pruned to eliminate duplicates Z: 32 18.114 1.977 0.355 0.434 0.839 0.484 CA 1.551 41 residues pruned to eliminate duplicates Z: 6 3.110 1.778 0.433 0.358 1.000 0.400 CB 0.636 6 residues pruned to eliminate duplicates Z: 23 13.857 1.963 0.365 0.407 0.864 0.591 CB 1.408 23 residues pruned to eliminate duplicates Z: 36 14.291 1.933 0.442 0.286 0.800 0.514 CB 1.377 36 residues pruned to eliminate duplicates Z: 21 12.715 1.959 0.493 0.435 0.750 0.500 CA 1.387 21 residues pruned to eliminate duplicates Z: 38 18.696 1.968 0.430 0.431 0.865 0.595 CB 1.356 38 residues pruned to eliminate duplicates Z: 27 14.410 2.064 0.420 0.320 0.846 0.615 CA 1.391 27 residues pruned to eliminate duplicates Z: 36 14.116 1.949 0.359 0.322 0.800 0.486 CB 1.371 36 residues pruned to eliminate duplicates Z: 17 13.977 2.050 0.443 0.436 0.875 0.625 CA 1.443 17 residues pruned to eliminate duplicates Z: 32 15.626 1.973 0.452 0.348 0.871 0.484 CA 1.326 32 residues pruned to eliminate duplicates Z: 18 13.132 1.977 0.467 0.421 0.882 0.529 CA 1.351 18 residues pruned to eliminate duplicates Z: 17 14.582 2.095 0.375 0.446 0.875 0.625 CB 1.530 17 residues pruned to eliminate duplicates Z: 10 6.066 1.682 0.272 0.408 0.778 0.222 CA 1.338 10 residues pruned to eliminate duplicates Z: 10 6.437 1.792 0.432 0.266 0.778 0.333 CA 1.404 10 residues pruned to eliminate duplicates Z: 37 17.311 1.927 0.446 0.430 0.833 0.583 CB 1.337 37 residues pruned to eliminate duplicates Z: 30 20.493 1.988 0.447 0.452 0.897 0.724 CA 1.549 30 residues pruned to eliminate duplicates Z: 41 14.579 1.938 0.402 0.282 0.775 0.425 CB 1.400 41 residues pruned to eliminate duplicates Z: 29 12.435 1.882 0.332 0.384 0.786 0.500 CB 1.350 29 residues pruned to eliminate duplicates Z: 13 13.648 1.943 0.336 0.510 1.000 0.583 CB 1.502 13 residues pruned to eliminate duplicates Z: 11 7.109 1.786 0.222 0.404 0.800 0.700 CA 1.424 11 residues pruned to eliminate duplicates Z: 11 9.305 1.825 0.447 0.449 0.800 0.300 CB 1.468 11 residues pruned to eliminate duplicates Z: 15 12.121 1.869 0.410 0.454 0.929 0.643 CA 1.387 15 residues pruned to eliminate duplicates Z: 17 12.966 1.833 0.438 0.464 0.875 0.688 CA 1.457 17 residues pruned to eliminate duplicates Z: 12 13.762 1.939 0.443 0.524 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 14 12.961 1.934 0.327 0.453 1.000 0.538 CB 1.471 14 residues pruned to eliminate duplicates Z: 15 10.408 1.849 0.214 0.406 0.929 0.571 CB 1.474 15 residues pruned to eliminate duplicates Z: 18 11.789 1.835 0.237 0.367 0.941 0.588 CB 1.545 18 residues pruned to eliminate duplicates Z: 17 10.744 1.857 0.454 0.453 0.750 0.438 CB 1.392 17 residues pruned to eliminate duplicates Z: 29 16.457 1.909 0.398 0.473 0.893 0.607 CB 1.342 29 residues pruned to eliminate duplicates Z: 18 8.906 1.847 0.257 0.311 0.824 0.353 CB 1.392 18 residues pruned to eliminate duplicates Z: 23 10.702 1.758 0.302 0.451 0.909 0.455 CB 1.153 23 residues pruned to eliminate duplicates Z: 6 6.125 1.962 0.339 0.589 1.000 0.600 CB 0.958 6 residues pruned to eliminate duplicates Z: 10 4.270 1.709 0.511 0.334 0.667 0.444 CB 0.992 10 residues pruned to eliminate duplicates Z: 8 5.933 1.802 0.596 0.420 0.857 0.429 CB 0.989 8 residues pruned to eliminate duplicates Z: 6 3.484 1.856 -0.012 0.589 1.000 0.400 CB 0.780 6 residues pruned to eliminate duplicates Z: 7 4.736 1.871 0.271 0.321 0.833 0.333 CB 1.187 7 residues pruned to eliminate duplicates Z: 7 2.967 1.432 0.511 0.102 1.000 0.500 CB 0.930 7 residues pruned to eliminate duplicates Z: 15 12.179 2.034 0.442 0.381 0.857 0.643 CB 1.470 15 residues pruned to eliminate duplicates Z: 18 12.678 2.008 0.358 0.399 0.941 0.588 CB 1.332 18 residues pruned to eliminate duplicates Z: 22 12.566 1.936 0.325 0.344 0.905 0.619 CB 1.400 22 residues pruned to eliminate duplicates Z: 24 11.005 1.897 0.368 0.311 0.826 0.522 CB 1.320 24 residues pruned to eliminate duplicates Z: 12 14.935 2.050 0.578 0.538 0.909 0.818 CB 1.475 12 residues pruned to eliminate duplicates Z: 16 12.416 1.843 0.456 0.454 0.933 0.733 CB 1.341 16 residues pruned to eliminate duplicates Z: 20 11.166 1.870 0.320 0.447 0.842 0.579 CB 1.301 20 residues pruned to eliminate duplicates Z: 26 14.147 1.891 0.419 0.453 0.880 0.560 CB 1.257 26 residues pruned to eliminate duplicates Z: 13 12.943 1.954 0.531 0.573 0.917 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 23 12.842 1.961 0.354 0.364 0.909 0.591 CB 1.313 23 residues pruned to eliminate duplicates Z: 24 11.443 1.968 0.301 0.342 0.870 0.478 CB 1.272 24 residues pruned to eliminate duplicates Z: 14 15.347 2.065 0.582 0.549 0.923 0.846 CB 1.346 14 residues pruned to eliminate duplicates Z: 16 14.916 2.057 0.415 0.485 0.933 0.600 CB 1.440 16 residues pruned to eliminate duplicates Z: 94 39.889 2.120 0.546 0.515 0.871 0.602 CB 1.428 94 residues pruned to eliminate duplicates Z: 29 18.537 2.015 0.527 0.393 0.929 0.679 CB 1.373 29 residues pruned to eliminate duplicates Z: 33 15.061 1.976 0.406 0.362 0.812 0.500 CB 1.369 33 residues pruned to eliminate duplicates Z: 26 14.910 2.017 0.292 0.447 0.880 0.600 CB 1.372 26 residues pruned to eliminate duplicates Z: 11 7.514 2.004 0.453 0.296 0.800 0.300 CB 1.281 11 residues pruned to eliminate duplicates Z: 24 17.549 2.060 0.606 0.410 0.913 0.652 CB 1.331 24 residues pruned to eliminate duplicates Z: 25 16.944 1.989 0.571 0.415 0.875 0.625 CB 1.383 25 residues pruned to eliminate duplicates Z: 24 18.245 2.072 0.570 0.432 0.913 0.696 CB 1.374 24 residues pruned to eliminate duplicates Z: 27 16.081 1.983 0.458 0.413 0.846 0.615 CB 1.411 27 residues pruned to eliminate duplicates Z: 54 37.496 2.141 0.672 0.593 0.906 0.679 CB 1.454 54 residues pruned to eliminate duplicates Z: 97 46.220 2.144 0.634 0.542 0.885 0.615 CB 1.459 97 residues pruned to eliminate duplicates Z: 58 35.841 2.115 0.667 0.521 0.895 0.667 CB 1.474 58 residues pruned to eliminate duplicates Z: 40 31.242 2.135 0.516 0.663 0.949 0.667 CB 1.400 40 residues pruned to eliminate duplicates Z: 59 36.647 2.149 0.574 0.555 0.914 0.655 CB 1.475 59 residues pruned to eliminate duplicates Z: 44 39.277 2.106 0.818 0.618 0.953 0.558 CB 1.468 44 residues pruned to eliminate duplicates Z: 58 34.030 2.100 0.598 0.564 0.877 0.649 CB 1.439 58 residues pruned to eliminate duplicates Z: 42 40.621 2.211 0.638 0.714 0.951 0.732 CA 1.517 42 residues pruned to eliminate duplicates Z: 27 30.964 2.153 0.754 0.640 0.923 0.731 CA 1.528 27 residues pruned to eliminate duplicates Z: 73 47.891 2.165 0.729 0.576 0.944 0.625 CB 1.483 73 residues pruned to eliminate duplicates Z: 29 37.531 2.273 0.633 0.697 1.000 0.714 CB 1.596 29 residues pruned to eliminate duplicates Z: 26 47.721 2.338 0.862 0.788 1.000 0.800 CB 1.702 26 residues pruned to eliminate duplicates Z: 34 31.560 2.148 0.664 0.643 0.939 0.606 CB 1.432 34 residues pruned to eliminate duplicates Z: 39 38.320 2.130 0.842 0.663 0.947 0.632 CA 1.438 39 residues pruned to eliminate duplicates Z: 65 47.779 2.190 0.802 0.607 0.938 0.641 CB 1.459 65 residues pruned to eliminate duplicates Z: 45 43.858 2.189 0.793 0.701 0.955 0.636 CB 1.470 45 residues pruned to eliminate duplicates Z: 37 33.868 2.153 0.643 0.607 0.972 0.639 CB 1.483 37 residues pruned to eliminate duplicates Z: 30 41.625 2.243 0.846 0.715 0.966 0.586 CA 1.592 30 residues pruned to eliminate duplicates Z: 31 42.095 2.207 0.777 0.765 1.000 0.567 CA 1.549 31 residues pruned to eliminate duplicates Z: 28 45.681 2.275 0.943 0.744 0.963 0.667 CB 1.660 28 residues pruned to eliminate duplicates Z: 33 42.374 2.202 0.886 0.710 0.969 0.594 CA 1.538 33 residues pruned to eliminate duplicates Z: 40 44.481 2.224 0.691 0.721 0.974 0.641 CB 1.592 40 residues pruned to eliminate duplicates Z: 59 36.372 2.106 0.638 0.552 0.931 0.569 CB 1.414 59 residues pruned to eliminate duplicates Z: 54 37.807 2.151 0.644 0.572 0.925 0.604 CB 1.482 54 residues pruned to eliminate duplicates Z: 41 31.721 2.057 0.792 0.555 0.850 0.525 CB 1.518 41 residues pruned to eliminate duplicates Z: 32 41.121 2.196 0.846 0.736 1.000 0.613 CB 1.474 32 residues pruned to eliminate duplicates Z: 45 43.831 2.167 0.757 0.703 0.955 0.614 CB 1.511 45 residues pruned to eliminate duplicates Z: 32 39.009 2.195 0.893 0.711 0.935 0.516 CB 1.489 32 residues pruned to eliminate duplicates Z: 19 24.048 2.084 0.925 0.651 0.944 0.333 CB 1.299 19 residues pruned to eliminate duplicates Z: 62 46.527 2.172 0.806 0.576 0.902 0.508 CB 1.565 62 residues pruned to eliminate duplicates Z: 29 33.519 2.197 0.753 0.725 0.964 0.571 CB 1.392 29 residues pruned to eliminate duplicates Z: 43 46.968 2.174 0.821 0.709 0.976 0.548 CA 1.551 43 residues pruned to eliminate duplicates Z: 42 40.043 2.194 0.742 0.701 0.854 0.561 CB 1.596 42 residues pruned to eliminate duplicates Z: 71 47.809 2.197 0.727 0.563 0.914 0.500 CB 1.550 71 residues pruned to eliminate duplicates Z: 46 44.237 2.182 0.843 0.684 0.933 0.511 CB 1.484 46 residues pruned to eliminate duplicates Z: 41 37.007 2.200 0.686 0.710 0.875 0.425 CB 1.490 41 residues pruned to eliminate duplicates Z: 52 32.665 2.080 0.651 0.578 0.863 0.510 CB 1.433 52 residues pruned to eliminate duplicates Z: 47 42.388 2.160 0.797 0.682 0.957 0.587 CB 1.425 47 residues pruned to eliminate duplicates Z: 45 43.944 2.192 0.726 0.684 0.977 0.500 CB 1.513 45 residues pruned to eliminate duplicates Z: 74 40.499 2.119 0.652 0.550 0.904 0.521 CB 1.427 74 residues pruned to eliminate duplicates Z: 75 45.331 2.185 0.672 0.563 0.932 0.500 CB 1.455 75 residues pruned to eliminate duplicates Z: 48 36.158 2.172 0.677 0.653 0.936 0.447 CB 1.341 48 residues pruned to eliminate duplicates Z: 50 34.245 2.132 0.481 0.614 0.959 0.551 CB 1.451 50 residues pruned to eliminate duplicates Z: 44 42.034 2.188 0.794 0.679 0.930 0.512 CB 1.490 44 residues pruned to eliminate duplicates Z: 73 44.190 2.156 0.716 0.553 0.931 0.500 CB 1.436 73 residues pruned to eliminate duplicates Z: 73 46.830 2.200 0.651 0.583 0.944 0.444 CB 1.486 73 residues pruned to eliminate duplicates Z: 23 19.988 2.230 0.703 0.322 0.909 0.409 CB 1.502 23 residues pruned to eliminate duplicates Z: 66 42.783 2.181 0.619 0.574 0.938 0.569 CB 1.490 66 residues pruned to eliminate duplicates Z: 26 16.343 2.204 0.578 0.340 0.880 0.360 CB 1.272 26 residues pruned to eliminate duplicates Z: 8 7.982 2.260 0.386 0.346 0.857 0.286 CB 1.329 8 residues pruned to eliminate duplicates Z: 21 13.133 2.094 0.697 0.245 0.800 0.400 CB 1.386 21 residues pruned to eliminate duplicates Z: 7 9.174 2.284 0.490 0.408 0.833 0.333 CB 1.455 7 residues pruned to eliminate duplicates Z: 23 12.624 1.951 0.590 0.293 0.818 0.409 CB 1.338 23 residues pruned to eliminate duplicates Z: 73 50.472 2.172 0.753 0.590 0.972 0.500 CB 1.473 73 residues pruned to eliminate duplicates Z: 22 20.363 2.205 0.834 0.415 0.905 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 38 20.087 2.080 0.649 0.388 0.811 0.405 CB 1.337 38 residues pruned to eliminate duplicates Z: 20 13.675 2.070 0.632 0.302 0.789 0.526 CB 1.467 20 residues pruned to eliminate duplicates Z: 19 16.512 2.157 0.765 0.284 0.833 0.500 CB 1.565 19 residues pruned to eliminate duplicates Z: 32 22.397 2.082 0.640 0.456 0.903 0.484 CB 1.364 32 residues pruned to eliminate duplicates Z: 18 15.512 2.174 0.735 0.307 0.824 0.471 CB 1.502 18 residues pruned to eliminate duplicates Z: 20 15.119 2.100 0.803 0.276 0.789 0.474 CB 1.496 20 residues pruned to eliminate duplicates Z: 42 22.338 2.052 0.647 0.364 0.829 0.488 CB 1.441 42 residues pruned to eliminate duplicates Z: 32 26.374 2.135 0.740 0.461 0.935 0.516 CB 1.418 31 residues pruned to eliminate duplicates Z: 10 14.502 2.084 0.577 0.624 0.889 0.556 CA 1.473 10 residues pruned to eliminate duplicates Z: 29 25.698 2.170 0.652 0.406 0.929 0.464 CB 1.611 29 residues pruned to eliminate duplicates Z: 32 24.336 2.086 0.940 0.402 0.871 0.548 CB 1.375 32 residues pruned to eliminate duplicates Z: 14 18.180 1.916 0.846 0.591 0.923 0.692 CA 1.416 14 residues pruned to eliminate duplicates Z: 30 24.665 2.144 0.702 0.427 0.897 0.586 CB 1.510 30 residues pruned to eliminate duplicates Z: 21 18.440 2.068 0.732 0.439 0.900 0.500 CB 1.362 21 residues pruned to eliminate duplicates Z: 14 18.905 2.062 0.771 0.576 0.846 0.692 CB 1.577 14 residues pruned to eliminate duplicates Z: 30 22.505 2.150 0.749 0.407 0.897 0.552 CB 1.366 30 residues pruned to eliminate duplicates Z: 30 20.144 2.132 0.529 0.421 0.862 0.483 CB 1.446 30 residues pruned to eliminate duplicates Z: 32 17.608 1.873 0.440 0.496 0.871 0.645 CA 1.352 31 residues pruned to eliminate duplicates Z: 6 4.765 1.559 0.686 0.561 0.800 0.400 CA 0.954 6 residues pruned to eliminate duplicates Z: 12 13.069 1.941 0.393 0.594 0.909 0.818 CA 1.465 12 residues pruned to eliminate duplicates Z: 21 13.376 1.820 0.560 0.384 0.900 0.400 CA 1.324 21 residues pruned to eliminate duplicates Z: 16 12.391 1.855 0.335 0.504 0.867 0.467 CA 1.485 16 residues pruned to eliminate duplicates Z: 22 12.247 1.833 0.535 0.335 0.905 0.571 CA 1.257 22 residues pruned to eliminate duplicates Z: 32 20.690 1.900 0.488 0.492 0.935 0.516 CA 1.416 32 residues pruned to eliminate duplicates Z: 33 20.635 1.927 0.413 0.490 0.938 0.688 CB 1.444 36 residues pruned to eliminate duplicates Z: 6 3.886 1.531 0.107 0.477 1.000 0.400 CA 1.049 6 residues pruned to eliminate duplicates Z: 20 12.657 1.852 0.670 0.442 0.842 0.421 CA 1.184 20 residues pruned to eliminate duplicates Z: 32 17.971 1.879 0.443 0.485 0.903 0.516 CA 1.339 32 residues pruned to eliminate duplicates Z: 22 14.329 1.806 0.645 0.454 0.905 0.476 CA 1.219 22 residues pruned to eliminate duplicates Z: 24 14.468 1.779 0.787 0.420 0.826 0.609 CA 1.249 24 residues pruned to eliminate duplicates Z: 30 18.895 1.948 0.410 0.486 0.897 0.586 CA 1.445 30 residues pruned to eliminate duplicates Z: 29 18.139 1.920 0.461 0.535 0.857 0.607 CA 1.378 29 residues pruned to eliminate duplicates Z: 18 13.814 1.941 0.395 0.507 0.882 0.706 CA 1.392 18 residues pruned to eliminate duplicates Z: 6 2.072 1.490 0.225 0.238 0.800 0.800 CA 0.861 6 residues pruned to eliminate duplicates Z: 30 18.683 1.922 0.503 0.468 0.862 0.586 CA 1.439 30 residues pruned to eliminate duplicates Z: 18 13.177 1.917 0.430 0.478 0.941 0.647 CA 1.267 18 residues pruned to eliminate duplicates Z: 17 12.156 1.886 0.442 0.432 0.875 0.438 CB 1.370 17 residues pruned to eliminate duplicates Z: 15 9.699 1.921 0.392 0.419 0.857 0.500 CA 1.230 15 residues pruned to eliminate duplicates 6 0.820 1.282 0.135 0.116 0.400 0.400 CA 1.024 ? Z: 6 3.082 1.310 0.983 0.313 0.800 0.600 C 0.816 6 residues pruned to eliminate duplicates Z: 8 8.382 1.976 0.539 0.240 1.000 0.857 CA 1.408 11 residues pruned to eliminate duplicates Z: 9 4.463 1.681 0.346 0.392 0.625 0.625 CA 1.250 9 residues pruned to eliminate duplicates Z: 8 7.818 2.017 0.430 0.289 1.000 0.714 CA 1.299 8 residues pruned to eliminate duplicates Z: 19 10.545 1.837 0.583 0.320 0.889 0.444 CB 1.173 19 residues pruned to eliminate duplicates Z: 17 10.149 1.727 0.683 0.396 0.875 0.250 CB 1.113 17 residues pruned to eliminate duplicates Z: 6 4.782 1.889 0.552 0.395 0.800 0.800 CA 1.019 6 residues pruned to eliminate duplicates Z: 6 3.786 1.491 0.785 0.318 1.000 0.400 CA 0.778 6 residues pruned to eliminate duplicates Z: 14 14.488 1.965 0.848 0.508 0.846 0.769 CB 1.297 12 residues pruned to eliminate duplicates Z: 6 3.639 1.572 0.622 0.185 1.000 0.200 CB 0.932 6 residues pruned to eliminate duplicates Z: 15 8.507 2.035 0.628 0.254 0.714 0.500 CA 1.275 15 residues pruned to eliminate duplicates Z: 9 9.171 2.019 0.506 0.338 0.875 0.375 CA 1.454 10 residues pruned to eliminate duplicates Z: 8 6.190 1.658 0.410 0.565 1.000 0.286 CA 0.940 8 residues pruned to eliminate duplicates 6 1.287 1.809 0.219 0.303 0.800 0.000 CA 0.406 ? Z: 13 10.825 2.034 0.666 0.331 0.833 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 15 13.018 2.071 0.697 0.351 0.857 0.429 CB 1.357 14 residues pruned to eliminate duplicates Z: 6 3.236 1.683 0.162 0.209 0.800 0.400 C 1.304 6 residues pruned to eliminate duplicates Z: 20 11.022 1.976 0.319 0.338 0.842 0.368 CA 1.376 20 residues pruned to eliminate duplicates Z: 32 23.200 1.967 0.555 0.515 0.935 0.419 CA 1.435 32 residues pruned to eliminate duplicates Z: 55 28.124 1.992 0.595 0.429 0.907 0.537 CB 1.428 55 residues pruned to eliminate duplicates Z: 22 15.422 1.948 0.515 0.369 0.952 0.476 CB 1.377 22 residues pruned to eliminate duplicates Z: 47 32.529 2.058 0.628 0.558 0.935 0.587 CB 1.447 47 residues pruned to eliminate duplicates Z: 24 19.818 2.035 0.722 0.414 0.870 0.565 CB 1.485 24 residues pruned to eliminate duplicates Z: 45 28.821 2.009 0.729 0.478 0.886 0.568 CA 1.443 45 residues pruned to eliminate duplicates Z: 40 22.867 2.025 0.629 0.436 0.872 0.513 CB 1.360 40 residues pruned to eliminate duplicates Z: 65 35.105 1.972 0.775 0.483 0.922 0.578 CB 1.384 65 residues pruned to eliminate duplicates Z: 42 26.326 2.080 0.601 0.463 0.878 0.512 CB 1.460 42 residues pruned to eliminate duplicates Z: 11 8.002 1.986 0.449 0.454 0.800 0.600 CA 1.152 11 residues pruned to eliminate duplicates Z: 42 32.003 2.057 0.724 0.543 0.927 0.610 CA 1.457 42 residues pruned to eliminate duplicates Z: 36 25.650 1.977 0.619 0.611 0.886 0.657 CB 1.376 36 residues pruned to eliminate duplicates Z: 31 19.272 2.036 0.599 0.537 0.733 0.600 CB 1.421 31 residues pruned to eliminate duplicates Z: 34 16.338 1.911 0.561 0.524 0.848 0.576 CB 1.097 34 residues pruned to eliminate duplicates Z: 46 26.015 1.974 0.627 0.487 0.844 0.511 CA 1.449 46 residues pruned to eliminate duplicates Z: 32 18.921 1.906 0.511 0.625 0.871 0.548 CB 1.204 32 residues pruned to eliminate duplicates Z: 47 30.372 1.951 0.692 0.676 0.935 0.652 CB 1.235 47 residues pruned to eliminate duplicates Z: 23 17.539 2.012 0.503 0.561 0.909 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 22 18.704 2.079 0.567 0.605 0.857 0.667 CB 1.323 22 residues pruned to eliminate duplicates Z: 21 21.709 2.025 0.607 0.670 0.950 0.650 CB 1.342 21 residues pruned to eliminate duplicates Z: 12 17.707 2.140 0.616 0.737 0.909 0.545 CB 1.373 12 residues pruned to eliminate duplicates Z: 35 21.031 1.922 0.642 0.488 0.912 0.588 CB 1.268 35 residues pruned to eliminate duplicates Z: 21 14.974 1.983 0.460 0.477 0.900 0.650 CA 1.315 21 residues pruned to eliminate duplicates Z: 36 27.532 1.974 0.614 0.607 0.943 0.543 CA 1.400 36 residues pruned to eliminate duplicates Z: 51 33.117 1.991 0.650 0.605 0.940 0.580 CB 1.373 41 residues pruned to eliminate duplicates Z: 17 22.881 1.979 0.396 0.857 0.938 0.438 CB 1.627 17 residues pruned to eliminate duplicates Z: 38 27.206 1.941 0.552 0.604 0.946 0.649 CB 1.422 38 residues pruned to eliminate duplicates Z: 38 25.265 1.889 0.614 0.600 0.946 0.595 CB 1.309 38 residues pruned to eliminate duplicates Z: 36 24.564 1.992 0.540 0.610 0.857 0.457 CB 1.423 36 residues pruned to eliminate duplicates Z: 30 26.397 1.992 0.690 0.648 0.966 0.655 CB 1.314 30 residues pruned to eliminate duplicates Z: 32 32.512 2.048 0.721 0.721 1.000 0.645 CB 1.357 32 residues pruned to eliminate duplicates Z: 35 25.167 1.943 0.686 0.626 0.912 0.588 CB 1.283 35 residues pruned to eliminate duplicates Z: 35 26.776 1.987 0.686 0.661 0.882 0.500 CB 1.337 35 residues pruned to eliminate duplicates Z: 36 28.143 1.958 0.608 0.592 0.971 0.400 CB 1.424 36 residues pruned to eliminate duplicates Z: 37 23.304 1.977 0.499 0.599 0.917 0.667 CB 1.300 37 residues pruned to eliminate duplicates Z: 37 24.854 1.934 0.592 0.573 0.917 0.556 CB 1.368 37 residues pruned to eliminate duplicates Z: 48 29.181 1.890 0.536 0.665 0.936 0.681 CB 1.345 48 residues pruned to eliminate duplicates Z: 33 29.976 2.048 0.571 0.684 0.938 0.562 CB 1.484 33 residues pruned to eliminate duplicates Z: 38 23.760 1.940 0.569 0.594 0.892 0.541 CB 1.315 38 residues pruned to eliminate duplicates Z: 39 24.818 1.913 0.571 0.551 0.947 0.526 CB 1.346 39 residues pruned to eliminate duplicates Z: 68 37.995 1.950 0.560 0.604 0.985 0.672 CA 1.403 62 residues pruned to eliminate duplicates Z: 16 12.107 1.696 0.372 0.702 0.933 0.400 CA 1.197 Z: 55 26.281 1.882 0.507 0.560 0.907 0.500 CB 1.311 71 residues pruned to eliminate duplicates Z: 49 36.710 1.980 0.717 0.666 0.958 0.708 CB 1.395 49 residues pruned to eliminate duplicates Z: 54 26.032 1.973 0.446 0.508 0.887 0.453 CA 1.401 54 residues pruned to eliminate duplicates Z: 11 11.032 1.721 0.201 0.810 1.000 0.600 CB 1.288 11 residues pruned to eliminate duplicates Z: 51 30.984 1.935 0.574 0.617 0.940 0.700 CB 1.370 51 residues pruned to eliminate duplicates Z: 15 17.517 1.875 0.509 0.717 1.000 0.714 CA 1.359 15 residues pruned to eliminate duplicates Z: 22 14.892 1.804 0.352 0.619 0.905 0.667 CA 1.316 22 residues pruned to eliminate duplicates Z: 12 10.786 1.744 0.478 0.793 0.909 0.545 CB 1.073 12 residues pruned to eliminate duplicates Z: 28 17.473 1.810 0.415 0.639 0.963 0.593 CB 1.197 19 residues pruned to eliminate duplicates Z: 7 10.521 1.654 1.174 0.714 0.833 0.667 CA 1.181 Z: 12 10.194 1.927 0.574 0.460 1.000 0.727 CB 1.056 19 residues pruned to eliminate duplicates Z: 18 12.852 1.960 0.394 0.384 1.000 0.529 CB 1.290 18 residues pruned to eliminate duplicates Z: 11 12.802 1.948 0.512 0.595 1.000 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 31 19.481 1.972 0.429 0.441 1.000 0.700 CB 1.342 31 residues pruned to eliminate duplicates Z: 6 6.690 1.971 0.068 0.489 1.000 0.800 CA 1.436 6 residues pruned to eliminate duplicates Z: 19 10.969 1.934 0.355 0.307 0.944 0.444 CA 1.295 19 residues pruned to eliminate duplicates Z: 31 17.154 1.953 0.387 0.389 0.967 0.633 CA 1.346 31 residues pruned to eliminate duplicates Z: 17 13.947 2.034 0.408 0.380 1.000 0.438 CB 1.383 17 residues pruned to eliminate duplicates Z: 23 12.377 1.879 0.376 0.297 1.000 0.545 CA 1.281 23 residues pruned to eliminate duplicates Z: 31 18.167 1.957 0.367 0.398 1.000 0.500 CB 1.381 31 residues pruned to eliminate duplicates Z: 28 17.352 1.969 0.472 0.429 0.926 0.444 CB 1.340 28 residues pruned to eliminate duplicates Z: 30 16.796 1.980 0.351 0.425 0.966 0.483 CB 1.305 30 residues pruned to eliminate duplicates Z: 25 16.791 1.960 0.524 0.427 0.958 0.542 CB 1.292 25 residues pruned to eliminate duplicates Z: 31 16.172 1.963 0.318 0.444 0.933 0.600 CB 1.295 31 residues pruned to eliminate duplicates Z: 30 18.028 1.974 0.361 0.408 1.000 0.586 CB 1.373 30 residues pruned to eliminate duplicates Z: 31 16.269 1.940 0.444 0.483 0.900 0.700 CB 1.199 31 residues pruned to eliminate duplicates Z: 29 18.569 1.985 0.385 0.448 1.000 0.750 CB 1.346 29 residues pruned to eliminate duplicates Z: 30 16.297 1.958 0.366 0.411 0.931 0.621 CA 1.334 30 residues pruned to eliminate duplicates Z: 31 17.124 1.975 0.336 0.430 0.933 0.600 CB 1.366 31 residues pruned to eliminate duplicates Z: 30 15.704 1.931 0.365 0.455 0.931 0.621 CB 1.245 30 residues pruned to eliminate duplicates Z: 31 15.147 1.943 0.260 0.444 0.900 0.567 CB 1.329 31 residues pruned to eliminate duplicates Z: 21 12.372 1.872 0.422 0.475 0.900 0.550 CB 1.185 21 residues pruned to eliminate duplicates Z: 31 17.019 1.930 0.409 0.432 0.933 0.533 CB 1.314 31 residues pruned to eliminate duplicates Z: 30 15.928 1.980 0.326 0.437 0.931 0.586 CB 1.292 30 residues pruned to eliminate duplicates Z: 25 13.123 1.972 0.263 0.412 0.875 0.625 CB 1.346 25 residues pruned to eliminate duplicates Z: 21 12.980 1.923 0.375 0.453 0.900 0.550 CB 1.279 21 residues pruned to eliminate duplicates Z: 31 17.039 1.969 0.375 0.408 0.967 0.633 CB 1.308 31 residues pruned to eliminate duplicates Z: 31 16.922 1.981 0.382 0.405 0.900 0.600 CB 1.385 31 residues pruned to eliminate duplicates Z: 49 20.736 1.952 0.318 0.400 0.896 0.583 CA 1.443 49 residues pruned to eliminate duplicates Z: 49 20.848 1.932 0.351 0.393 0.917 0.521 CA 1.409 57 residues pruned to eliminate duplicates Z: 6 2.936 1.380 0.423 0.246 1.000 0.600 CA 0.896 6 residues pruned to eliminate duplicates Z: 19 11.489 1.873 0.217 0.395 0.944 0.556 CA 1.406 19 residues pruned to eliminate duplicates Z: 57 18.856 1.893 0.269 0.366 0.893 0.464 CA 1.356 51 residues pruned to eliminate duplicates Z: 19 11.441 1.892 0.207 0.356 0.944 0.500 CA 1.461 19 residues pruned to eliminate duplicates Z: 18 11.173 1.957 0.131 0.412 0.941 0.529 CA 1.426 18 residues pruned to eliminate duplicates Z: 50 19.117 1.920 0.308 0.377 0.898 0.510 CA 1.381 50 residues pruned to eliminate duplicates Z: 18 10.964 1.938 0.203 0.363 0.882 0.647 CB 1.499 18 residues pruned to eliminate duplicates Z: 19 14.500 1.902 0.325 0.401 1.000 0.500 CA 1.504 19 residues pruned to eliminate duplicates Z: 50 17.294 1.893 0.239 0.374 0.918 0.592 CA 1.312 50 residues pruned to eliminate duplicates Z: 20 11.977 1.920 0.259 0.342 0.947 0.526 CA 1.424 20 residues pruned to eliminate duplicates Z: 19 14.014 1.929 0.327 0.398 0.944 0.389 CA 1.521 19 residues pruned to eliminate duplicates Z: 17 13.756 1.985 0.297 0.413 0.938 0.500 CA 1.561 17 residues pruned to eliminate duplicates Z: 18 14.238 1.970 0.295 0.414 0.941 0.412 CA 1.573 18 residues pruned to eliminate duplicates Z: 17 9.575 1.902 0.139 0.374 0.875 0.562 CA 1.445 17 residues pruned to eliminate duplicates Z: 18 11.640 1.917 0.168 0.423 1.000 0.529 CA 1.367 18 residues pruned to eliminate duplicates Z: 20 11.920 1.885 0.359 0.375 0.895 0.526 CA 1.363 20 residues pruned to eliminate duplicates 6 1.668 1.705 0.491 0.100 0.600 0.200 CB 0.815 ? Z: 7 2.103 1.818 0.117 0.083 0.667 0.167 CB 1.087 7 residues pruned to eliminate duplicates Z: 7 3.037 1.369 0.591 0.411 0.667 0.333 CA 0.938 7 residues pruned to eliminate duplicates 710 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 19 D: 10 E: 8 F: 26 G: 8 H: 36 I: 108 J: 147 K: 29 L: 18 M: 153 N: 15 O: 63 P: 56 CC for partial structure against native data = 26.23 % ------------------------------------------------------------------------------ Global autotracing cycle 18 = 0.300, Contrast = 0.387, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.530, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.539, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.550, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.553, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.557, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6689 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1279 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 62 35.930 2.068 0.543 0.557 0.902 0.607 CB 1.514 B: 29 12.637 1.974 0.360 0.332 0.786 0.429 CA 1.361 C: 18 27.414 2.082 0.658 0.867 1.000 0.647 CB 1.409 D: 18 26.109 2.076 0.519 0.904 0.941 0.647 CA 1.519 E: 9 11.184 2.012 0.519 0.485 0.875 0.500 CA 1.501 F: 8 11.077 1.744 0.561 0.849 0.857 0.429 CB 1.330 G: 17 23.489 2.072 0.498 0.876 0.938 0.625 CA 1.467 17 residues pruned to eliminate duplicates H: 19 28.413 2.039 0.564 0.883 1.000 0.667 CA 1.519 19 residues pruned to eliminate duplicates I: 19 25.892 2.046 0.539 0.901 0.944 0.667 CA 1.465 19 residues pruned to eliminate duplicates J: 9 10.980 1.977 0.212 0.605 1.000 0.625 CB 1.465 K: 28 20.371 2.100 0.564 0.372 0.926 0.519 CB 1.478 8 residues pruned to eliminate duplicates L: 21 35.611 2.161 0.816 0.802 1.000 0.900 CB 1.559 21 residues pruned to eliminate duplicates M: 17 33.058 2.150 0.738 0.915 1.000 0.750 CA 1.563 17 residues pruned to eliminate duplicates N: 16 23.031 2.138 0.652 0.851 0.933 0.600 CB 1.335 O: 9 13.669 1.947 0.326 0.843 0.875 0.625 CA 1.593 8 residues pruned to eliminate duplicates P: 18 24.449 2.144 0.511 0.894 0.941 0.765 CB 1.395 16 residues pruned to eliminate duplicates Q: 24 21.254 2.028 0.686 0.485 0.957 0.435 CB 1.376 R: 11 10.893 1.516 0.358 0.890 1.000 0.600 CB 1.204 11 residues pruned to eliminate duplicates S: 12 16.672 2.089 0.724 0.807 0.909 0.636 CB 1.175 T: 8 7.550 1.675 0.452 0.815 0.857 0.714 CA 1.041 8 residues pruned to eliminate duplicates U: 21 35.338 2.190 0.648 0.917 1.000 0.900 CB 1.545 21 residues pruned to eliminate duplicates V: 22 30.227 2.116 0.708 0.890 0.905 0.571 CB 1.450 22 residues pruned to eliminate duplicates W: 15 15.628 1.960 0.214 0.888 1.000 0.929 CB 1.264 15 residues pruned to eliminate duplicates X: 21 31.902 2.204 0.605 0.900 1.000 0.550 CB 1.440 21 residues pruned to eliminate duplicates Y: 8 11.393 1.771 0.452 0.844 0.857 0.714 CA 1.455 10 residues pruned to eliminate duplicates Z: 11 13.996 1.980 0.427 0.898 0.900 0.900 CA 1.245 11 residues pruned to eliminate duplicates Z: 19 14.024 2.122 0.518 0.385 0.778 0.556 CB 1.491 13 residues pruned to eliminate duplicates Z: 57 37.364 2.071 0.502 0.649 0.964 0.732 CA 1.448 30 residues pruned to eliminate duplicates Z: 30 16.981 1.948 0.366 0.443 0.931 0.621 CB 1.349 Z: 52 36.114 2.090 0.625 0.621 0.922 0.627 CA 1.441 40 residues pruned to eliminate duplicates Z: 17 10.073 2.076 0.527 0.318 0.875 0.375 CB 1.109 17 residues pruned to eliminate duplicates Z: 16 10.136 1.838 0.533 0.324 0.867 0.600 CA 1.300 Z: 40 27.797 1.976 0.554 0.650 0.897 0.538 CB 1.404 40 residues pruned to eliminate duplicates Z: 21 27.818 2.060 0.482 0.886 1.000 0.900 CB 1.469 21 residues pruned to eliminate duplicates Z: 20 25.164 2.050 0.475 0.869 0.947 0.789 CA 1.472 20 residues pruned to eliminate duplicates Z: 16 18.480 1.931 0.370 0.901 1.000 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 10 10.630 1.713 0.358 0.873 1.000 0.778 CA 1.110 10 residues pruned to eliminate duplicates Z: 42 17.315 1.905 0.388 0.338 0.829 0.439 CB 1.471 Z: 13 14.708 1.907 0.614 0.753 0.833 0.583 CA 1.322 Z: 12 13.003 2.066 0.329 0.840 0.909 0.545 CB 1.172 12 residues pruned to eliminate duplicates Z: 7 11.656 1.913 0.457 0.808 1.000 0.500 CB 1.305 7 residues pruned to eliminate duplicates Z: 37 22.557 1.995 0.491 0.486 0.917 0.528 CA 1.398 16 residues pruned to eliminate duplicates Z: 21 40.635 2.237 0.854 0.906 1.000 0.650 CB 1.559 21 residues pruned to eliminate duplicates Z: 18 13.547 1.947 0.575 0.358 0.824 0.353 CA 1.517 Z: 11 14.804 2.088 0.306 0.883 1.000 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 21 32.157 2.154 0.620 0.882 1.000 0.750 CB 1.491 21 residues pruned to eliminate duplicates Z: 7 5.247 1.833 0.439 0.433 0.667 0.667 CB 1.306 7 residues pruned to eliminate duplicates Z: 28 14.826 1.890 0.333 0.468 0.852 0.519 CA 1.373 30 residues pruned to eliminate duplicates Z: 9 14.708 1.857 0.466 0.862 1.000 0.750 CA 1.402 9 residues pruned to eliminate duplicates Z: 22 41.921 2.084 0.963 0.940 1.000 0.952 CB 1.553 22 residues pruned to eliminate duplicates Z: 24 13.520 1.889 0.448 0.414 0.870 0.478 CB 1.296 Z: 41 15.189 1.908 0.411 0.323 0.775 0.425 CA 1.399 41 residues pruned to eliminate duplicates Z: 21 26.243 2.021 0.415 0.896 1.000 0.750 CB 1.470 18 residues pruned to eliminate duplicates Z: 12 7.151 2.063 0.154 0.460 0.818 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 20 26.626 2.026 0.558 0.900 0.947 0.737 CB 1.459 20 residues pruned to eliminate duplicates Z: 32 21.617 2.036 0.556 0.451 0.903 0.581 CB 1.427 24 residues pruned to eliminate duplicates Z: 17 18.725 2.087 0.306 0.840 0.938 0.688 CB 1.367 17 residues pruned to eliminate duplicates Z: 13 16.601 2.024 0.350 0.855 1.000 0.833 CB 1.295 10 residues pruned to eliminate duplicates Z: 30 17.335 2.122 0.602 0.313 0.931 0.414 CB 1.252 27 residues pruned to eliminate duplicates Z: 13 11.910 2.028 0.220 0.861 0.833 0.583 CB 1.226 13 residues pruned to eliminate duplicates Z: 13 7.615 1.836 0.447 0.465 0.750 0.417 CB 1.143 Z: 36 21.590 1.963 0.431 0.451 0.943 0.543 CA 1.449 38 residues pruned to eliminate duplicates Z: 13 17.411 2.054 0.363 0.881 1.000 0.583 CB 1.301 13 residues pruned to eliminate duplicates Z: 14 11.945 1.922 0.509 0.436 0.923 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 18 32.162 2.092 0.779 0.889 1.000 0.765 CA 1.509 18 residues pruned to eliminate duplicates Z: 23 18.121 2.057 0.599 0.349 0.955 0.409 CA 1.450 23 residues pruned to eliminate duplicates Z: 7 6.966 1.702 0.202 0.741 0.833 0.333 CA 1.344 7 residues pruned to eliminate duplicates Z: 21 13.982 1.766 0.474 0.496 0.850 0.750 CA 1.419 Z: 29 22.715 1.975 0.439 0.547 0.893 0.536 CA 1.616 29 residues pruned to eliminate duplicates Z: 47 24.086 2.017 0.353 0.476 0.935 0.565 CB 1.427 39 residues pruned to eliminate duplicates Z: 10 9.941 1.577 0.703 0.815 1.000 0.667 CB 0.938 10 residues pruned to eliminate duplicates Z: 18 11.058 1.775 0.295 0.414 1.000 0.471 CB 1.277 13 residues pruned to eliminate duplicates Z: 26 16.916 1.938 0.590 0.416 0.880 0.480 CB 1.362 9 residues pruned to eliminate duplicates Z: 18 9.366 1.864 0.124 0.383 0.882 0.471 CA 1.391 Z: 8 10.393 1.960 0.138 0.836 0.857 0.571 CB 1.537 9 residues pruned to eliminate duplicates Z: 14 7.925 1.903 0.079 0.343 1.000 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 7 6.032 2.176 0.172 0.405 0.833 0.667 CA 1.280 7 residues pruned to eliminate duplicates Z: 19 16.086 2.010 0.515 0.490 0.833 0.556 CA 1.510 29 residues pruned to eliminate duplicates Z: 33 20.395 1.974 0.833 0.427 0.844 0.469 CB 1.274 9 residues pruned to eliminate duplicates Z: 35 22.244 2.043 0.574 0.458 0.853 0.559 CA 1.452 35 residues pruned to eliminate duplicates Z: 89 37.874 2.051 0.521 0.492 0.886 0.523 CB 1.472 88 residues pruned to eliminate duplicates Z: 18 21.523 2.087 0.417 0.872 0.941 0.824 CB 1.367 17 residues pruned to eliminate duplicates Z: 10 11.121 2.005 0.616 0.632 1.000 0.667 CB 1.010 9 residues pruned to eliminate duplicates Z: 24 12.075 2.016 0.452 0.348 0.783 0.435 CB 1.295 24 residues pruned to eliminate duplicates Z: 16 25.152 2.055 0.554 0.852 1.000 0.600 CA 1.504 16 residues pruned to eliminate duplicates Z: 15 7.344 1.907 0.118 0.343 0.857 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 58 32.756 2.000 0.635 0.518 0.947 0.632 CB 1.376 55 residues pruned to eliminate duplicates Z: 12 10.482 2.051 0.495 0.357 0.727 0.364 N 1.654 12 residues pruned to eliminate duplicates Z: 9 3.946 1.579 0.098 0.315 0.875 0.500 C 1.128 9 residues pruned to eliminate duplicates Z: 22 35.172 2.079 0.786 0.903 1.000 0.762 CB 1.474 22 residues pruned to eliminate duplicates Z: 18 18.179 1.997 0.533 0.855 0.882 0.529 CB 1.204 18 residues pruned to eliminate duplicates Z: 12 10.412 1.899 0.632 0.495 0.818 0.545 CA 1.244 12 residues pruned to eliminate duplicates Z: 9 16.277 1.918 0.635 0.858 1.000 0.625 CA 1.351 9 residues pruned to eliminate duplicates Z: 21 19.697 1.949 0.381 0.883 1.000 0.800 CB 1.183 19 residues pruned to eliminate duplicates Z: 11 4.992 1.656 0.268 0.400 0.800 0.300 CA 1.044 11 residues pruned to eliminate duplicates Z: 10 8.686 1.974 0.154 0.403 1.000 0.556 CA 1.408 10 residues pruned to eliminate duplicates Z: 20 29.760 2.085 0.864 0.876 0.895 0.526 CB 1.427 20 residues pruned to eliminate duplicates Z: 14 14.003 1.885 0.621 0.453 0.846 0.538 CB 1.577 14 residues pruned to eliminate duplicates Z: 14 9.866 1.795 0.631 0.420 0.846 0.462 CB 1.201 14 residues pruned to eliminate duplicates Z: 15 17.888 2.078 0.792 0.382 1.000 0.500 CA 1.456 Z: 73 43.776 2.142 0.682 0.561 0.931 0.514 CB 1.451 77 residues pruned to eliminate duplicates Z: 22 43.967 2.143 1.034 0.918 0.952 0.667 CB 1.630 22 residues pruned to eliminate duplicates Z: 19 26.928 2.039 0.775 0.912 0.889 0.833 CA 1.398 19 residues pruned to eliminate duplicates Z: 12 13.699 1.894 0.499 0.549 0.818 0.818 CB 1.695 Z: 11 5.372 1.893 0.207 0.332 0.800 0.300 CB 1.117 11 residues pruned to eliminate duplicates Z: 15 14.701 1.995 0.289 0.559 1.000 0.714 CA 1.444 9 residues pruned to eliminate duplicates Z: 18 33.726 2.174 0.797 0.923 1.000 1.000 CA 1.471 18 residues pruned to eliminate duplicates Z: 21 14.743 1.796 0.800 0.418 0.800 0.600 CB 1.389 20 residues pruned to eliminate duplicates Z: 30 16.345 1.935 0.361 0.428 0.966 0.621 CB 1.286 30 residues pruned to eliminate duplicates Z: 13 13.671 1.849 0.743 0.621 0.833 0.583 CB 1.311 12 residues pruned to eliminate duplicates Z: 34 12.919 1.948 0.340 0.303 0.818 0.424 CB 1.312 24 residues pruned to eliminate duplicates Z: 13 8.753 2.023 0.352 0.413 0.833 0.500 CB 1.214 13 residues pruned to eliminate duplicates Z: 26 20.791 2.180 0.638 0.352 0.880 0.600 CB 1.554 26 residues pruned to eliminate duplicates Z: 13 22.560 2.176 0.360 0.896 1.000 0.833 CB 1.576 13 residues pruned to eliminate duplicates Z: 23 14.855 1.963 0.481 0.481 0.864 0.409 CA 1.286 23 residues pruned to eliminate duplicates Z: 21 26.344 2.009 0.364 0.903 1.000 0.800 CA 1.532 21 residues pruned to eliminate duplicates Z: 9 8.698 1.784 0.600 0.440 1.000 0.500 CA 1.147 9 residues pruned to eliminate duplicates Z: 40 18.033 1.946 0.334 0.379 0.897 0.538 CA 1.410 38 residues pruned to eliminate duplicates Z: 21 10.416 1.862 0.238 0.393 0.800 0.600 CA 1.413 21 residues pruned to eliminate duplicates Z: 11 18.288 2.193 0.367 0.845 1.000 0.800 CB 1.435 11 residues pruned to eliminate duplicates Z: 23 16.773 2.010 0.818 0.342 0.864 0.591 CA 1.346 23 residues pruned to eliminate duplicates Z: 16 6.828 1.747 0.274 0.190 0.867 0.267 CB 1.324 16 residues pruned to eliminate duplicates Z: 7 4.447 1.601 0.449 0.413 0.833 0.167 CA 1.028 Z: 26 10.718 1.930 0.363 0.396 0.760 0.400 CB 1.197 26 residues pruned to eliminate duplicates Z: 21 12.694 1.836 0.543 0.448 0.800 0.550 CB 1.322 21 residues pruned to eliminate duplicates Z: 17 13.325 1.957 0.569 0.450 0.938 0.562 CB 1.218 17 residues pruned to eliminate duplicates Z: 7 18.014 2.210 0.754 0.794 1.000 1.000 CB 1.466 7 residues pruned to eliminate duplicates Z: 8 10.344 1.799 0.218 0.887 1.000 1.000 CA 1.287 8 residues pruned to eliminate duplicates Z: 57 19.233 1.932 0.372 0.337 0.821 0.446 CB 1.410 51 residues pruned to eliminate duplicates Z: 8 10.408 1.836 0.476 0.786 0.857 0.429 CB 1.317 8 residues pruned to eliminate duplicates Z: 14 4.432 1.703 0.128 0.301 0.692 0.385 CB 1.154 14 residues pruned to eliminate duplicates Z: 27 26.417 1.977 0.680 0.633 0.962 0.500 CA 1.432 27 residues pruned to eliminate duplicates Z: 11 14.580 2.100 0.388 0.860 1.000 0.800 CB 1.163 11 residues pruned to eliminate duplicates Z: 15 13.466 1.861 0.425 0.457 1.000 0.571 CB 1.419 Z: 34 24.541 2.145 0.590 0.441 0.909 0.515 CB 1.464 34 residues pruned to eliminate duplicates Z: 12 13.438 2.001 0.532 0.554 0.909 0.545 CA 1.380 12 residues pruned to eliminate duplicates Z: 72 38.074 2.077 0.461 0.585 0.944 0.592 CA 1.454 72 residues pruned to eliminate duplicates Z: 17 5.834 1.804 0.079 0.380 0.812 0.562 CB 1.048 17 residues pruned to eliminate duplicates Z: 27 16.955 1.972 0.301 0.594 0.769 0.538 CA 1.540 27 residues pruned to eliminate duplicates Z: 15 4.415 1.482 0.572 0.258 0.643 0.357 N 1.039 Z: 19 20.346 1.989 0.562 0.850 0.944 0.833 CB 1.211 19 residues pruned to eliminate duplicates Z: 21 16.341 1.975 0.618 0.495 0.800 0.800 CB 1.436 21 residues pruned to eliminate duplicates Z: 6 2.972 1.530 0.285 0.361 0.800 0.400 N 0.980 Z: 10 14.849 1.807 0.516 0.909 1.000 0.556 CB 1.282 9 residues pruned to eliminate duplicates Z: 16 11.414 1.983 0.214 0.428 0.867 0.467 CB 1.523 16 residues pruned to eliminate duplicates Z: 17 11.128 2.043 0.356 0.369 0.812 0.438 CB 1.422 17 residues pruned to eliminate duplicates Z: 7 8.348 1.860 0.336 0.604 1.000 0.500 CB 1.242 7 residues pruned to eliminate duplicates Z: 20 22.932 1.947 0.513 0.844 1.000 0.895 CB 1.328 20 residues pruned to eliminate duplicates Z: 6 5.440 1.726 0.722 0.286 1.000 0.600 N 1.042 6 residues pruned to eliminate duplicates Z: 23 7.873 1.752 0.179 0.288 0.773 0.455 CB 1.334 9 residues pruned to eliminate duplicates Z: 14 9.045 1.941 0.478 0.387 0.769 0.538 CB 1.282 14 residues pruned to eliminate duplicates Z: 8 6.021 1.778 0.544 0.647 0.857 0.714 CB 0.843 5 residues pruned to eliminate duplicates Z: 16 6.900 1.880 0.495 0.272 0.600 0.333 CB 1.369 16 residues pruned to eliminate duplicates Z: 52 43.288 2.191 0.727 0.605 0.941 0.627 CB 1.541 52 residues pruned to eliminate duplicates Z: 22 33.028 2.137 0.648 0.898 1.000 0.857 CB 1.463 22 residues pruned to eliminate duplicates Z: 9 11.319 1.889 0.473 0.816 0.875 0.750 CA 1.249 13 residues pruned to eliminate duplicates Z: 22 15.995 1.998 0.438 0.485 0.905 0.619 CA 1.363 22 residues pruned to eliminate duplicates Z: 15 14.087 1.806 0.811 0.514 0.857 0.786 CB 1.325 14 residues pruned to eliminate duplicates Z: 33 20.405 2.055 0.369 0.473 0.875 0.469 CB 1.507 33 residues pruned to eliminate duplicates Z: 25 16.207 2.093 0.654 0.308 0.875 0.583 CB 1.352 25 residues pruned to eliminate duplicates Z: 10 4.520 1.441 0.475 0.250 0.889 0.333 N 1.064 10 residues pruned to eliminate duplicates Z: 6 12.670 2.085 0.642 0.645 0.800 0.800 CB 1.807 6 residues pruned to eliminate duplicates Z: 17 27.008 2.047 0.613 0.871 1.000 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 42 45.270 2.206 0.892 0.707 0.976 0.561 CB 1.439 42 residues pruned to eliminate duplicates Z: 13 20.376 2.048 0.585 0.817 1.000 0.750 CB 1.376 13 residues pruned to eliminate duplicates Z: 17 11.796 1.948 0.608 0.408 0.875 0.562 CB 1.184 17 residues pruned to eliminate duplicates Z: 9 15.263 1.867 0.528 0.877 1.000 0.875 CA 1.374 9 residues pruned to eliminate duplicates Z: 21 28.771 2.033 0.654 0.905 1.000 0.550 CB 1.362 21 residues pruned to eliminate duplicates Z: 7 4.195 1.620 0.302 0.435 0.833 0.500 CB 1.041 7 residues pruned to eliminate duplicates Z: 24 20.873 2.062 0.597 0.649 0.913 0.696 CB 1.260 24 residues pruned to eliminate duplicates Z: 9 12.942 1.932 0.587 0.826 0.875 0.625 CA 1.286 9 residues pruned to eliminate duplicates Z: 12 21.416 1.977 0.521 0.884 1.000 0.636 CA 1.552 12 residues pruned to eliminate duplicates Z: 21 36.002 2.020 0.964 0.940 1.000 0.750 CB 1.409 24 residues pruned to eliminate duplicates Z: 20 34.362 2.203 0.626 0.932 1.000 0.947 CB 1.537 20 residues pruned to eliminate duplicates Z: 12 12.365 1.881 0.381 0.523 1.000 0.818 CB 1.402 15 residues pruned to eliminate duplicates Z: 11 10.272 1.901 0.379 0.609 0.900 0.800 CA 1.241 Z: 7 12.154 2.099 0.406 0.844 0.833 0.667 CB 1.502 7 residues pruned to eliminate duplicates Z: 10 11.167 2.014 0.796 0.307 0.889 0.667 CA 1.435 10 residues pruned to eliminate duplicates Z: 6 5.079 1.698 0.183 0.479 0.800 0.600 CB 1.444 6 residues pruned to eliminate duplicates Z: 43 14.250 1.823 0.398 0.340 0.786 0.548 CB 1.307 45 residues pruned to eliminate duplicates Z: 30 14.007 1.964 0.315 0.439 0.862 0.655 CB 1.245 30 residues pruned to eliminate duplicates Z: 69 37.934 2.074 0.480 0.564 0.926 0.603 CB 1.520 73 residues pruned to eliminate duplicates Z: 12 9.071 2.071 0.181 0.374 0.909 0.727 CB 1.408 12 residues pruned to eliminate duplicates Z: 6 5.296 1.809 0.097 0.416 1.000 0.600 CB 1.303 6 residues pruned to eliminate duplicates Z: 9 6.533 1.767 0.281 0.263 1.000 0.625 CA 1.336 Z: 7 8.095 1.716 0.490 0.573 0.833 0.833 O 1.446 7 residues pruned to eliminate duplicates Z: 38 30.095 2.061 0.651 0.509 0.919 0.486 CB 1.568 38 residues pruned to eliminate duplicates Z: 55 33.065 2.055 0.553 0.586 0.907 0.685 CA 1.431 55 residues pruned to eliminate duplicates Z: 34 20.969 2.034 0.620 0.505 0.818 0.455 CB 1.348 34 residues pruned to eliminate duplicates Z: 17 31.866 2.105 0.752 0.906 1.000 0.688 CA 1.537 17 residues pruned to eliminate duplicates Z: 7 13.026 2.162 0.744 0.684 0.833 0.667 CB 1.430 7 residues pruned to eliminate duplicates Z: 6 2.878 1.578 0.066 0.474 0.800 0.600 CB 0.982 Z: 7 2.356 1.662 0.151 0.394 0.833 0.667 CB 0.675 7 residues pruned to eliminate duplicates Z: 20 10.216 1.848 0.488 0.435 0.789 0.579 CA 1.154 20 residues pruned to eliminate duplicates Z: 7 6.669 1.585 0.576 0.749 0.833 0.500 CB 1.047 7 residues pruned to eliminate duplicates Z: 19 27.942 2.080 0.448 0.905 1.000 0.667 CA 1.557 19 residues pruned to eliminate duplicates Z: 6 2.499 1.488 0.580 0.509 0.600 0.400 CA 0.785 6 residues pruned to eliminate duplicates 8 1.517 1.590 0.064 0.073 0.571 0.286 CB 1.036 ? Z: 48 19.066 1.983 0.435 0.372 0.830 0.617 CB 1.351 47 residues pruned to eliminate duplicates Z: 11 9.277 1.935 0.437 0.621 0.900 0.900 CA 1.046 11 residues pruned to eliminate duplicates Z: 21 14.168 1.796 0.515 0.498 0.900 0.700 CA 1.296 16 residues pruned to eliminate duplicates Z: 32 21.376 2.100 0.562 0.430 0.903 0.516 CB 1.394 29 residues pruned to eliminate duplicates Z: 11 4.843 1.610 0.467 0.464 0.900 0.500 CB 0.747 9 residues pruned to eliminate duplicates Z: 62 33.058 2.013 0.635 0.519 0.885 0.557 CB 1.426 62 residues pruned to eliminate duplicates Z: 17 21.922 1.951 0.507 0.853 1.000 0.812 CA 1.378 17 residues pruned to eliminate duplicates Z: 19 21.833 2.133 0.352 0.848 0.889 0.722 CB 1.490 19 residues pruned to eliminate duplicates Z: 16 6.805 2.058 0.186 0.271 0.800 0.333 CB 1.168 16 residues pruned to eliminate duplicates Z: 51 30.782 2.047 0.664 0.507 0.880 0.560 CB 1.443 51 residues pruned to eliminate duplicates Z: 24 17.926 1.915 0.573 0.537 0.913 0.739 CA 1.311 24 residues pruned to eliminate duplicates Z: 7 12.867 2.146 0.515 0.707 1.000 1.000 CA 1.338 7 residues pruned to eliminate duplicates Z: 36 15.682 1.927 0.416 0.385 0.829 0.400 CB 1.325 36 residues pruned to eliminate duplicates Z: 31 19.199 2.112 0.359 0.442 0.900 0.533 CA 1.441 31 residues pruned to eliminate duplicates Z: 35 17.041 1.692 0.481 0.510 0.912 0.588 CB 1.267 35 residues pruned to eliminate duplicates Z: 49 36.919 2.062 0.630 0.634 0.938 0.542 CB 1.491 49 residues pruned to eliminate duplicates Z: 37 20.977 2.024 0.326 0.455 0.944 0.500 CA 1.444 37 residues pruned to eliminate duplicates Z: 16 25.408 2.079 0.734 0.906 0.933 0.867 CB 1.387 16 residues pruned to eliminate duplicates Z: 30 16.034 1.941 0.495 0.406 0.862 0.517 CB 1.314 32 residues pruned to eliminate duplicates Z: 14 10.204 1.863 0.311 0.479 0.923 0.692 CB 1.282 Z: 47 25.693 1.999 0.489 0.473 0.848 0.609 CB 1.543 47 residues pruned to eliminate duplicates Z: 15 18.260 2.112 0.356 0.859 1.000 0.571 CA 1.254 15 residues pruned to eliminate duplicates Z: 13 10.161 1.854 0.450 0.497 0.917 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 41 35.163 2.142 0.635 0.621 0.925 0.675 CB 1.531 41 residues pruned to eliminate duplicates Z: 14 6.095 1.632 0.377 0.333 0.615 0.308 CB 1.467 14 residues pruned to eliminate duplicates Z: 19 17.903 1.864 0.651 0.553 0.889 0.667 CB 1.464 19 residues pruned to eliminate duplicates Z: 10 10.050 1.537 0.573 0.680 1.000 0.556 O 1.175 12 residues pruned to eliminate duplicates Z: 10 15.055 1.767 0.543 0.880 1.000 0.778 CA 1.333 10 residues pruned to eliminate duplicates Z: 21 17.160 1.988 0.443 0.429 0.950 0.450 CA 1.515 21 residues pruned to eliminate duplicates Z: 36 23.516 2.051 0.449 0.493 0.943 0.629 CB 1.428 36 residues pruned to eliminate duplicates Z: 16 8.775 1.730 0.411 0.460 0.800 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 7 6.770 1.761 0.034 0.731 1.000 0.667 CB 1.234 6 residues pruned to eliminate duplicates Z: 19 17.994 2.026 0.511 0.645 0.889 0.667 CB 1.361 19 residues pruned to eliminate duplicates Z: 9 3.613 1.651 0.289 0.248 0.750 0.500 CB 1.069 9 residues pruned to eliminate duplicates Z: 22 41.367 2.147 1.138 0.907 1.000 0.619 CB 1.398 22 residues pruned to eliminate duplicates Z: 16 24.614 2.055 0.514 0.889 1.000 0.733 CA 1.470 16 residues pruned to eliminate duplicates Z: 11 6.019 1.966 0.451 0.392 0.800 0.500 CB 0.935 11 residues pruned to eliminate duplicates Z: 19 12.250 2.017 0.618 0.305 0.778 0.500 CA 1.412 19 residues pruned to eliminate duplicates Z: 10 4.721 1.523 0.383 0.293 0.889 0.556 CA 1.060 10 residues pruned to eliminate duplicates Z: 9 5.749 1.542 0.335 0.550 0.875 0.625 CB 1.075 Z: 12 5.117 1.869 0.158 0.309 0.636 0.364 CA 1.385 12 residues pruned to eliminate duplicates Z: 28 16.351 1.908 0.299 0.468 0.889 0.630 CA 1.474 28 residues pruned to eliminate duplicates Z: 8 6.364 1.879 0.743 0.376 0.714 0.571 CB 1.174 Z: 7 8.272 1.647 0.775 0.790 0.833 0.667 CB 1.075 Z: 21 33.985 2.003 0.780 0.911 1.000 0.550 CA 1.511 21 residues pruned to eliminate duplicates Z: 21 24.797 2.056 0.553 0.889 0.900 0.550 CB 1.389 21 residues pruned to eliminate duplicates Z: 21 29.716 2.035 0.672 0.932 1.000 0.600 CB 1.364 21 residues pruned to eliminate duplicates Z: 21 14.340 1.924 0.410 0.478 0.900 0.550 CB 1.344 21 residues pruned to eliminate duplicates Z: 36 22.048 2.030 0.396 0.453 0.943 0.571 CA 1.464 36 residues pruned to eliminate duplicates Z: 9 6.714 1.786 0.490 0.643 0.875 0.750 CB 0.892 9 residues pruned to eliminate duplicates Z: 45 27.163 1.938 0.496 0.526 0.932 0.659 CA 1.478 45 residues pruned to eliminate duplicates Z: 6 2.696 1.380 0.194 0.602 0.800 0.400 N 0.830 5 residues pruned to eliminate duplicates Z: 9 10.136 1.714 0.483 0.887 1.000 0.875 CA 1.016 6 residues pruned to eliminate duplicates Z: 28 35.436 2.205 0.716 0.727 0.963 0.556 CB 1.526 28 residues pruned to eliminate duplicates Z: 15 9.222 1.858 0.438 0.444 0.857 0.714 CB 1.139 15 residues pruned to eliminate duplicates Z: 11 5.804 1.676 0.190 0.425 0.900 0.600 CB 1.105 11 residues pruned to eliminate duplicates Z: 26 18.902 1.860 0.695 0.520 0.920 0.560 CA 1.278 25 residues pruned to eliminate duplicates Z: 16 8.209 1.736 0.479 0.450 0.867 0.533 CB 1.002 16 residues pruned to eliminate duplicates Z: 8 12.818 2.196 0.584 0.428 1.000 0.714 CA 1.502 8 residues pruned to eliminate duplicates Z: 12 10.418 1.946 0.444 0.476 0.909 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 30 15.040 1.927 0.401 0.424 0.828 0.552 CA 1.354 30 residues pruned to eliminate duplicates Z: 28 13.360 1.857 0.377 0.469 0.852 0.556 CA 1.217 29 residues pruned to eliminate duplicates Z: 8 13.501 1.939 0.458 0.697 1.000 0.571 CA 1.508 9 residues pruned to eliminate duplicates Z: 8 9.152 1.766 0.550 0.678 0.857 0.714 CB 1.251 Z: 30 21.424 2.105 0.641 0.464 0.828 0.655 CB 1.444 30 residues pruned to eliminate duplicates Z: 13 7.451 1.655 0.448 0.386 0.750 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 13 18.167 2.180 0.787 0.758 0.833 0.417 CB 1.284 13 residues pruned to eliminate duplicates Z: 9 7.153 1.898 0.248 0.507 0.875 0.625 CA 1.212 9 residues pruned to eliminate duplicates Z: 10 5.114 1.765 0.231 0.350 0.778 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 34 14.569 1.914 0.515 0.354 0.758 0.455 CB 1.353 34 residues pruned to eliminate duplicates Z: 27 13.317 1.929 0.415 0.407 0.846 0.500 CB 1.247 27 residues pruned to eliminate duplicates Z: 19 22.422 2.079 0.285 0.889 0.889 0.722 CA 1.602 19 residues pruned to eliminate duplicates Z: 37 22.545 2.031 0.385 0.481 0.944 0.639 CA 1.442 37 residues pruned to eliminate duplicates Z: 6 5.554 1.864 0.094 0.515 0.800 0.400 CB 1.500 Z: 13 19.946 1.773 0.709 0.897 0.917 0.667 N 1.483 12 residues pruned to eliminate duplicates Z: 11 4.038 1.530 0.277 0.390 0.800 0.400 CB 0.918 7 residues pruned to eliminate duplicates Z: 21 15.812 2.090 0.526 0.396 0.900 0.550 CB 1.374 21 residues pruned to eliminate duplicates Z: 10 4.107 1.601 0.075 0.313 1.000 0.444 CA 0.978 9 residues pruned to eliminate duplicates Z: 35 23.076 2.105 0.558 0.414 0.882 0.559 CB 1.497 35 residues pruned to eliminate duplicates Z: 19 27.531 2.036 0.759 0.906 1.000 0.500 CB 1.288 20 residues pruned to eliminate duplicates Z: 12 5.972 1.782 0.482 0.283 0.727 0.455 CB 1.198 12 residues pruned to eliminate duplicates Z: 7 3.784 1.559 0.217 0.578 0.833 0.667 CB 0.906 Z: 18 18.367 2.195 0.760 0.359 0.882 0.588 CB 1.522 18 residues pruned to eliminate duplicates Z: 31 21.800 2.016 0.627 0.429 0.900 0.500 CA 1.451 27 residues pruned to eliminate duplicates Z: 21 27.976 1.981 0.595 0.857 1.000 0.400 CB 1.460 21 residues pruned to eliminate duplicates Z: 22 15.050 1.952 0.491 0.471 0.905 0.762 CB 1.283 22 residues pruned to eliminate duplicates Z: 8 6.873 1.661 0.546 0.555 0.857 0.571 CA 1.119 7 residues pruned to eliminate duplicates Z: 9 5.989 1.828 0.418 0.484 0.750 0.500 CB 1.107 9 residues pruned to eliminate duplicates Z: 12 8.778 1.722 0.712 0.326 1.000 0.636 CA 1.087 12 residues pruned to eliminate duplicates Z: 33 14.918 1.948 0.483 0.331 0.844 0.562 CB 1.301 33 residues pruned to eliminate duplicates Z: 8 4.585 1.625 0.660 0.464 0.714 0.571 CB 0.933 Z: 7 9.480 1.758 0.497 0.883 1.000 1.000 CA 1.063 7 residues pruned to eliminate duplicates Z: 22 15.576 1.988 0.309 0.539 0.952 0.524 CA 1.320 22 residues pruned to eliminate duplicates Z: 25 18.173 1.861 0.556 0.504 0.917 0.625 CA 1.392 24 residues pruned to eliminate duplicates Z: 7 3.216 1.479 -0.018 0.395 0.833 0.667 CA 1.212 Z: 37 17.932 1.964 0.474 0.384 0.833 0.500 CB 1.402 37 residues pruned to eliminate duplicates Z: 33 14.231 1.819 0.373 0.440 0.844 0.500 CA 1.270 33 residues pruned to eliminate duplicates Z: 21 12.423 1.874 0.666 0.427 0.750 0.600 CB 1.279 22 residues pruned to eliminate duplicates Z: 11 6.817 1.748 0.479 0.501 0.800 0.400 CA 1.041 Z: 24 17.016 2.034 0.624 0.335 0.913 0.565 CA 1.409 22 residues pruned to eliminate duplicates Z: 21 40.518 2.216 0.962 0.934 0.950 0.650 CB 1.530 21 residues pruned to eliminate duplicates Z: 13 6.850 1.781 0.180 0.247 0.917 0.333 CA 1.374 12 residues pruned to eliminate duplicates Z: 9 5.726 1.921 0.388 0.404 1.000 0.875 CB 0.840 9 residues pruned to eliminate duplicates Z: 6 9.044 1.647 0.528 0.812 1.000 0.800 CB 1.225 Z: 17 11.913 2.008 0.575 0.390 0.750 0.375 CA 1.410 17 residues pruned to eliminate duplicates Z: 22 29.318 1.953 0.657 0.906 1.000 0.714 CB 1.405 22 residues pruned to eliminate duplicates Z: 7 4.607 1.685 0.131 0.427 1.000 0.833 N 1.064 7 residues pruned to eliminate duplicates Z: 12 20.346 1.829 0.991 0.884 0.909 0.818 CB 1.339 13 residues pruned to eliminate duplicates Z: 9 7.204 1.850 0.389 0.511 0.750 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 30 21.341 1.997 0.824 0.401 0.862 0.586 CA 1.400 30 residues pruned to eliminate duplicates Z: 14 22.631 1.860 0.925 0.828 1.000 0.692 CA 1.320 14 residues pruned to eliminate duplicates Z: 34 23.266 2.016 0.508 0.482 0.939 0.576 CB 1.444 34 residues pruned to eliminate duplicates Z: 21 44.785 2.223 1.079 0.904 1.000 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 16 17.641 2.111 0.449 0.838 1.000 0.467 CB 1.113 16 residues pruned to eliminate duplicates Z: 27 12.500 1.804 0.375 0.339 0.885 0.423 CB 1.332 27 residues pruned to eliminate duplicates Z: 22 15.004 1.974 0.518 0.517 0.857 0.667 CA 1.254 22 residues pruned to eliminate duplicates Z: 9 12.946 1.899 0.369 0.881 0.875 0.500 CB 1.457 9 residues pruned to eliminate duplicates Z: 13 7.109 1.591 0.314 0.609 0.750 0.500 CB 1.180 13 residues pruned to eliminate duplicates Z: 22 13.164 1.869 0.518 0.445 0.857 0.524 CB 1.251 22 residues pruned to eliminate duplicates Z: 13 10.266 2.058 0.324 0.432 0.833 0.583 CA 1.400 13 residues pruned to eliminate duplicates Z: 11 5.779 1.644 0.667 0.269 0.900 0.500 CB 0.963 11 residues pruned to eliminate duplicates Z: 29 12.749 1.807 0.627 0.298 0.786 0.500 CA 1.307 29 residues pruned to eliminate duplicates Z: 14 13.086 2.006 0.680 0.430 0.846 0.615 CB 1.369 16 residues pruned to eliminate duplicates Z: 18 25.575 2.090 0.455 0.880 1.000 0.882 CA 1.478 18 residues pruned to eliminate duplicates Z: 21 15.014 1.991 0.349 0.417 0.950 0.600 CB 1.436 21 residues pruned to eliminate duplicates Z: 13 7.156 1.841 0.353 0.418 0.750 0.500 CA 1.205 13 residues pruned to eliminate duplicates Z: 25 24.316 2.018 0.265 0.725 1.000 0.792 CB 1.587 25 residues pruned to eliminate duplicates Z: 26 16.498 1.937 0.313 0.522 0.960 0.680 CA 1.322 26 residues pruned to eliminate duplicates Z: 7 2.928 1.584 0.735 0.412 0.667 0.333 CB 0.715 Z: 44 26.884 1.988 0.655 0.500 0.884 0.628 CB 1.411 44 residues pruned to eliminate duplicates Z: 8 8.559 1.798 0.767 0.517 0.857 0.571 CA 1.167 8 residues pruned to eliminate duplicates Z: 10 16.379 2.160 0.493 0.860 1.000 0.778 CB 1.245 10 residues pruned to eliminate duplicates Z: 9 5.376 1.633 -0.060 0.791 0.875 0.625 CB 1.096 Z: 9 7.854 1.646 0.593 0.438 0.875 0.750 CB 1.290 9 residues pruned to eliminate duplicates Z: 6 2.595 1.528 0.116 0.341 1.000 0.800 CB 0.809 Z: 6 2.235 1.212 0.130 0.860 1.000 0.800 CB 0.537 Z: 12 10.652 1.889 0.280 0.571 0.909 0.636 CB 1.364 12 residues pruned to eliminate duplicates Z: 29 19.045 2.077 0.700 0.299 0.929 0.464 CB 1.373 29 residues pruned to eliminate duplicates Z: 11 5.455 1.776 0.220 0.431 0.900 0.500 CB 0.950 12 residues pruned to eliminate duplicates Z: 46 27.497 2.024 0.647 0.453 0.911 0.556 CB 1.417 46 residues pruned to eliminate duplicates Z: 49 31.332 2.006 0.683 0.571 0.896 0.667 CB 1.397 49 residues pruned to eliminate duplicates Z: 6 4.328 2.175 0.425 0.744 0.800 0.600 CB 0.628 6 residues pruned to eliminate duplicates Z: 9 11.223 1.822 0.440 0.846 0.875 0.750 CA 1.284 16 residues pruned to eliminate duplicates Z: 11 16.150 2.105 0.624 0.867 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 16 9.747 1.844 0.339 0.323 1.000 0.467 CB 1.238 16 residues pruned to eliminate duplicates Z: 16 6.389 1.749 0.399 0.356 0.733 0.533 CB 1.073 16 residues pruned to eliminate duplicates Z: 9 7.030 1.738 0.853 0.648 0.875 0.750 CB 0.769 Z: 10 2.713 1.313 0.543 0.310 0.889 0.333 CB 0.620 Z: 12 21.437 2.095 0.593 0.785 1.000 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 9 14.941 1.888 0.785 0.827 0.875 0.250 CA 1.350 9 residues pruned to eliminate duplicates 6 1.397 1.528 -0.246 0.340 0.800 0.200 CB 0.808 ? Z: 13 10.571 1.844 0.326 0.515 0.917 0.667 CA 1.341 13 residues pruned to eliminate duplicates Z: 50 32.306 2.062 0.639 0.516 0.918 0.592 CB 1.463 54 residues pruned to eliminate duplicates Z: 7 5.086 1.657 0.433 0.525 0.667 0.667 CB 1.279 7 residues pruned to eliminate duplicates Z: 21 9.230 1.793 0.346 0.398 0.800 0.400 CB 1.191 21 residues pruned to eliminate duplicates 7 1.995 1.494 0.371 0.296 0.500 0.333 CA 0.999 ? Z: 7 5.744 1.567 0.507 0.647 1.000 0.500 CB 0.865 Z: 20 24.435 2.189 0.508 0.844 0.895 0.526 CB 1.412 20 residues pruned to eliminate duplicates Z: 22 19.203 1.996 0.675 0.404 0.952 0.524 CB 1.455 22 residues pruned to eliminate duplicates Z: 6 4.300 1.479 0.035 0.828 1.000 0.800 CA 0.946 6 residues pruned to eliminate duplicates Z: 15 21.757 2.099 0.941 0.856 0.857 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 22 12.771 1.975 0.346 0.440 0.857 0.381 CA 1.302 22 residues pruned to eliminate duplicates Z: 21 24.601 2.022 0.607 0.879 0.850 0.450 CB 1.445 21 residues pruned to eliminate duplicates Z: 10 4.572 1.697 -0.066 0.395 0.778 0.333 O 1.381 10 residues pruned to eliminate duplicates Z: 65 41.414 2.138 0.686 0.537 0.953 0.453 CB 1.453 65 residues pruned to eliminate duplicates Z: 14 7.567 1.733 0.131 0.409 0.846 0.231 CA 1.392 14 residues pruned to eliminate duplicates Z: 7 8.357 1.857 0.367 0.421 1.000 0.833 CA 1.459 8 residues pruned to eliminate duplicates 6 1.623 1.685 -0.137 0.325 1.000 0.200 CB 0.605 ? Z: 24 16.290 1.999 0.666 0.496 0.826 0.565 CB 1.240 24 residues pruned to eliminate duplicates Z: 11 7.345 1.840 0.418 0.415 1.000 0.400 CA 0.973 11 residues pruned to eliminate duplicates Z: 12 2.535 1.620 0.492 0.229 0.727 0.636 CB 0.597 Z: 13 5.411 1.593 0.340 0.288 0.833 0.333 CB 1.114 13 residues pruned to eliminate duplicates Z: 13 11.927 1.949 0.294 0.499 0.917 0.500 N 1.491 13 residues pruned to eliminate duplicates Z: 9 8.061 1.786 0.087 0.680 1.000 0.875 CA 1.244 9 residues pruned to eliminate duplicates Z: 18 21.190 1.910 0.662 0.856 0.882 0.471 CB 1.353 18 residues pruned to eliminate duplicates Z: 9 10.171 1.733 0.274 0.863 1.000 1.000 CA 1.194 9 residues pruned to eliminate duplicates Z: 9 3.607 1.669 0.342 0.461 0.625 0.500 CB 0.949 9 residues pruned to eliminate duplicates Z: 8 10.437 2.019 0.366 0.738 1.000 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 21 11.748 1.924 0.220 0.353 0.950 0.500 CB 1.381 21 residues pruned to eliminate duplicates Z: 21 13.752 1.892 0.191 0.535 1.000 0.750 CB 1.319 21 residues pruned to eliminate duplicates Z: 38 21.546 1.969 0.456 0.480 0.892 0.595 CA 1.413 38 residues pruned to eliminate duplicates Z: 10 7.092 1.633 0.779 0.439 0.778 0.556 CB 1.115 10 residues pruned to eliminate duplicates Z: 17 14.901 1.929 0.432 0.403 1.000 0.750 CA 1.492 17 residues pruned to eliminate duplicates Z: 15 18.113 2.007 0.727 0.456 1.000 0.643 CB 1.461 15 residues pruned to eliminate duplicates Z: 7 6.152 1.563 0.464 0.695 1.000 1.000 CB 0.919 Z: 11 4.471 1.723 0.308 0.203 0.700 0.600 CB 1.275 11 residues pruned to eliminate duplicates Z: 15 23.222 2.191 0.698 0.909 0.929 0.500 CB 1.275 15 residues pruned to eliminate duplicates Z: 15 13.980 1.833 0.454 0.472 1.000 0.714 CB 1.442 15 residues pruned to eliminate duplicates Z: 45 26.060 2.060 0.391 0.514 0.864 0.523 CB 1.565 45 residues pruned to eliminate duplicates Z: 6 3.583 1.329 0.961 0.393 0.800 0.800 CA 0.861 6 residues pruned to eliminate duplicates Z: 22 38.344 2.149 0.886 0.922 1.000 0.952 CB 1.452 22 residues pruned to eliminate duplicates Z: 32 18.607 2.009 0.624 0.358 0.871 0.581 CB 1.371 32 residues pruned to eliminate duplicates Z: 15 10.956 1.860 0.485 0.407 0.786 0.429 CA 1.488 15 residues pruned to eliminate duplicates Z: 10 4.420 1.483 0.331 0.364 0.778 0.333 CB 1.110 10 residues pruned to eliminate duplicates Z: 7 3.091 1.553 0.152 0.406 0.667 0.667 CB 1.167 Z: 22 16.134 2.126 0.311 0.403 0.810 0.381 CB 1.728 22 residues pruned to eliminate duplicates Z: 13 10.961 1.973 0.275 0.475 0.917 0.667 CA 1.407 13 residues pruned to eliminate duplicates Z: 9 5.439 1.746 0.461 0.267 0.750 0.750 CA 1.310 9 residues pruned to eliminate duplicates Z: 16 8.405 1.791 0.426 0.363 0.933 0.533 CB 1.055 16 residues pruned to eliminate duplicates Z: 6 3.242 1.482 0.177 0.605 1.000 0.800 CB 0.752 Z: 7 5.105 1.446 0.280 0.513 1.000 0.500 O 1.112 Z: 7 7.303 1.961 0.365 0.507 0.833 0.500 CB 1.327 7 residues pruned to eliminate duplicates Z: 31 14.796 1.918 0.359 0.430 0.867 0.567 CA 1.286 31 residues pruned to eliminate duplicates Z: 14 9.804 1.808 0.309 0.445 0.846 0.385 CA 1.437 14 residues pruned to eliminate duplicates Z: 12 12.089 1.951 0.351 0.518 1.000 0.727 CA 1.358 12 residues pruned to eliminate duplicates Z: 72 42.129 2.057 0.719 0.619 0.944 0.690 CB 1.340 72 residues pruned to eliminate duplicates Z: 7 2.284 1.622 0.014 0.261 0.833 0.333 CB 0.894 Z: 16 9.944 1.736 0.513 0.361 0.800 0.533 CB 1.419 16 residues pruned to eliminate duplicates Z: 7 2.626 1.434 0.039 0.385 0.833 0.500 CB 0.976 Z: 17 22.080 2.078 0.616 0.852 0.875 0.375 CB 1.390 17 residues pruned to eliminate duplicates Z: 36 16.786 1.986 0.365 0.357 0.886 0.429 CB 1.378 36 residues pruned to eliminate duplicates Z: 55 25.001 1.957 0.480 0.414 0.852 0.630 CB 1.509 55 residues pruned to eliminate duplicates Z: 19 13.942 2.098 0.473 0.326 0.833 0.611 CB 1.545 19 residues pruned to eliminate duplicates 7 1.659 1.413 0.137 0.456 0.500 0.500 O 0.882 ? Z: 45 21.847 2.003 0.427 0.361 0.864 0.545 CB 1.549 45 residues pruned to eliminate duplicates Z: 37 21.983 1.998 0.363 0.478 0.944 0.611 CA 1.456 37 residues pruned to eliminate duplicates Z: 16 9.991 1.917 0.558 0.412 0.867 0.400 CB 1.093 16 residues pruned to eliminate duplicates Z: 14 8.915 1.823 0.589 0.361 0.769 0.615 CB 1.289 14 residues pruned to eliminate duplicates Z: 9 17.571 1.880 0.850 0.887 0.875 0.500 CA 1.472 9 residues pruned to eliminate duplicates Z: 7 3.625 1.662 0.140 0.663 0.833 0.500 CB 0.806 7 residues pruned to eliminate duplicates Z: 11 19.757 2.135 0.527 0.847 1.000 0.900 CA 1.423 11 residues pruned to eliminate duplicates Z: 47 27.349 1.996 0.405 0.586 0.935 0.652 CA 1.417 47 residues pruned to eliminate duplicates Z: 8 5.065 1.709 0.233 0.467 0.857 0.429 CB 1.097 8 residues pruned to eliminate duplicates Z: 9 2.646 1.490 0.198 0.278 0.750 0.500 CB 0.899 9 residues pruned to eliminate duplicates Z: 8 5.319 1.541 0.326 0.703 0.857 0.571 CA 0.954 Z: 8 2.707 1.372 0.342 0.372 0.857 0.286 CB 0.744 Z: 18 27.886 2.038 0.863 0.904 1.000 0.706 CB 1.268 18 residues pruned to eliminate duplicates Z: 6 7.869 1.646 0.513 0.682 1.000 0.800 CB 1.196 Z: 21 9.750 1.618 0.290 0.475 0.950 0.500 CB 1.127 13 residues pruned to eliminate duplicates Z: 15 8.887 1.661 0.662 0.361 0.786 0.429 CA 1.272 15 residues pruned to eliminate duplicates Z: 10 4.131 1.516 0.063 0.528 1.000 0.556 CB 0.831 Z: 21 7.240 1.781 0.463 0.223 0.750 0.450 CA 1.145 21 residues pruned to eliminate duplicates Z: 22 15.684 1.958 0.413 0.461 0.857 0.571 CA 1.502 22 residues pruned to eliminate duplicates Z: 15 12.719 1.924 0.124 0.484 1.000 0.571 CA 1.598 15 residues pruned to eliminate duplicates Z: 45 38.950 2.127 0.825 0.639 0.932 0.500 CB 1.425 45 residues pruned to eliminate duplicates Z: 32 17.665 2.007 0.429 0.394 0.903 0.613 CA 1.370 32 residues pruned to eliminate duplicates Z: 10 17.579 2.157 0.434 0.901 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 10 7.618 1.522 0.962 0.416 1.000 0.556 CA 0.929 Z: 23 15.722 1.967 0.418 0.431 0.909 0.682 CB 1.420 23 residues pruned to eliminate duplicates Z: 8 8.360 1.850 0.408 0.517 0.714 0.571 CA 1.669 8 residues pruned to eliminate duplicates Z: 7 3.482 1.323 1.057 0.380 0.667 0.667 N 0.890 7 residues pruned to eliminate duplicates Z: 7 6.128 1.334 0.472 0.752 1.000 0.667 O 1.018 7 residues pruned to eliminate duplicates Z: 7 6.102 1.701 0.248 0.534 1.000 1.000 CB 1.134 7 residues pruned to eliminate duplicates Z: 7 2.292 1.289 0.958 0.243 0.667 0.333 CB 0.749 7 1.812 1.561 0.091 0.094 0.833 0.667 N 0.877 ? Z: 9 5.079 1.559 0.772 0.285 0.625 0.375 CB 1.325 9 residues pruned to eliminate duplicates Z: 16 24.781 2.133 0.485 0.931 1.000 0.667 CB 1.412 16 residues pruned to eliminate duplicates 6 1.880 1.478 0.004 0.351 0.800 0.400 CA 0.832 ? Z: 6 5.252 1.822 0.632 0.588 1.000 0.400 CA 0.726 6 residues pruned to eliminate duplicates Z: 6 2.723 1.589 0.231 0.313 0.800 0.400 CB 0.957 6 1.975 1.287 0.525 0.790 0.800 0.800 CA 0.436 ? Z: 22 10.224 1.810 0.281 0.309 0.905 0.429 CB 1.314 22 residues pruned to eliminate duplicates Z: 28 35.161 2.182 0.766 0.699 0.963 0.630 CA 1.521 28 residues pruned to eliminate duplicates Z: 13 13.853 1.865 0.513 0.786 1.000 0.833 CB 1.102 13 residues pruned to eliminate duplicates Z: 26 20.397 2.127 0.702 0.343 0.880 0.600 CB 1.518 26 residues pruned to eliminate duplicates Z: 15 13.736 1.901 0.570 0.513 0.929 0.786 CB 1.307 15 residues pruned to eliminate duplicates Z: 11 7.505 1.802 0.308 0.507 0.800 0.300 CA 1.250 11 residues pruned to eliminate duplicates Z: 8 6.000 1.733 0.561 0.328 0.857 0.571 CA 1.181 8 residues pruned to eliminate duplicates Z: 8 4.106 1.575 0.032 0.668 1.000 0.571 CB 0.818 8 residues pruned to eliminate duplicates 7 1.878 1.291 0.461 0.331 0.833 0.500 CB 0.587 ? Z: 20 14.517 1.961 0.401 0.442 0.895 0.474 CB 1.438 20 residues pruned to eliminate duplicates Z: 27 17.358 1.865 0.547 0.520 0.885 0.615 CB 1.307 25 residues pruned to eliminate duplicates Z: 58 40.511 2.063 0.681 0.619 0.947 0.544 CA 1.460 58 residues pruned to eliminate duplicates Z: 6 3.276 1.681 -0.379 0.836 1.000 1.000 C 1.051 Z: 21 9.523 1.824 0.429 0.323 0.800 0.550 CB 1.241 21 residues pruned to eliminate duplicates Z: 18 29.201 2.043 0.594 0.865 1.000 0.529 CA 1.593 18 residues pruned to eliminate duplicates Z: 9 9.831 1.651 0.427 0.788 0.875 0.750 CA 1.309 9 residues pruned to eliminate duplicates Z: 7 9.488 1.803 0.780 0.746 1.000 0.833 CB 0.968 7 residues pruned to eliminate duplicates Z: 9 5.476 1.573 0.205 0.564 0.875 0.375 CB 1.097 Z: 6 2.921 1.231 0.429 0.470 1.000 0.400 C 0.766 Z: 7 6.461 2.104 0.022 0.665 1.000 0.833 CA 1.052 7 residues pruned to eliminate duplicates Z: 6 3.839 1.807 0.629 0.439 0.600 0.200 CA 1.035 6 residues pruned to eliminate duplicates Z: 11 10.029 1.939 0.094 0.524 1.000 1.000 CA 1.459 11 residues pruned to eliminate duplicates Z: 72 45.716 2.078 0.732 0.619 0.986 0.606 CB 1.367 72 residues pruned to eliminate duplicates 6 1.906 1.322 0.053 0.303 0.800 0.800 N 0.952 ? Z: 13 11.828 1.895 0.221 0.480 1.000 0.667 CA 1.507 13 residues pruned to eliminate duplicates Z: 25 16.597 1.913 0.414 0.544 0.917 0.583 CA 1.309 28 residues pruned to eliminate duplicates Z: 12 4.094 1.709 0.416 0.262 0.636 0.545 CB 1.052 12 residues pruned to eliminate duplicates Z: 12 5.176 1.802 0.419 0.226 0.636 0.364 N 1.320 12 residues pruned to eliminate duplicates Z: 19 18.570 1.968 0.754 0.490 0.889 0.722 CB 1.441 19 residues pruned to eliminate duplicates Z: 6 2.962 1.199 1.018 0.716 0.600 0.600 CB 0.751 Z: 14 5.840 1.551 0.326 0.368 0.846 0.692 CB 1.072 14 residues pruned to eliminate duplicates Z: 11 10.867 2.044 0.644 0.353 0.800 0.400 N 1.500 11 residues pruned to eliminate duplicates Z: 6 2.530 1.495 0.446 0.152 0.800 0.400 CB 1.003 Z: 61 32.688 1.965 0.599 0.569 0.900 0.467 CB 1.396 61 residues pruned to eliminate duplicates Z: 17 22.767 2.050 0.670 0.902 0.938 0.375 CB 1.266 17 residues pruned to eliminate duplicates Z: 33 27.223 1.971 0.581 0.649 0.938 0.688 CB 1.434 33 residues pruned to eliminate duplicates Z: 10 7.130 1.632 0.545 0.393 0.889 0.667 CA 1.187 10 residues pruned to eliminate duplicates Z: 23 14.074 1.834 0.690 0.374 0.773 0.636 CB 1.433 23 residues pruned to eliminate duplicates Z: 7 3.792 1.641 0.162 0.352 0.833 0.500 CA 1.143 Z: 8 3.039 1.709 -0.150 0.176 0.857 0.286 O 1.365 Z: 6 2.506 1.234 -0.076 0.580 1.000 0.800 C 0.910 Z: 6 2.071 1.662 -0.396 0.606 1.000 0.600 CB 0.834 Z: 12 7.212 1.427 0.950 0.525 1.000 0.636 CB 0.763 Z: 16 9.348 1.728 0.334 0.389 0.933 0.533 CB 1.262 Z: 14 7.082 1.675 0.412 0.329 0.846 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 54 35.663 2.048 0.522 0.604 0.943 0.585 CB 1.509 54 residues pruned to eliminate duplicates Z: 21 36.799 2.180 0.796 0.910 1.000 0.650 CB 1.491 21 residues pruned to eliminate duplicates Z: 22 19.544 2.165 0.358 0.534 0.952 0.667 CB 1.473 22 residues pruned to eliminate duplicates Z: 20 16.506 1.920 0.530 0.385 0.895 0.579 CB 1.629 20 residues pruned to eliminate duplicates Z: 17 8.868 1.765 0.504 0.403 0.812 0.688 CA 1.138 17 residues pruned to eliminate duplicates Z: 30 15.396 1.855 0.311 0.467 0.931 0.586 CA 1.306 30 residues pruned to eliminate duplicates Z: 8 6.737 1.774 0.762 0.601 0.714 0.429 CB 1.037 8 residues pruned to eliminate duplicates Z: 15 17.937 1.961 0.523 0.604 1.000 0.571 CB 1.454 15 residues pruned to eliminate duplicates Z: 26 13.662 1.824 0.433 0.432 0.880 0.480 CA 1.274 25 residues pruned to eliminate duplicates Z: 10 12.938 1.822 0.749 0.549 1.000 0.889 CA 1.289 10 residues pruned to eliminate duplicates Z: 6 3.400 1.518 0.299 0.337 1.000 0.800 CB 0.922 Z: 17 5.432 1.970 0.284 0.243 0.688 0.375 CB 1.051 17 residues pruned to eliminate duplicates Z: 31 16.061 1.798 0.396 0.491 0.967 0.533 CA 1.221 33 residues pruned to eliminate duplicates 8 1.814 1.422 0.205 0.400 0.857 0.429 CB 0.518 ? Z: 6 3.736 1.685 0.204 0.351 0.800 0.400 CB 1.210 Z: 27 16.069 1.850 0.455 0.500 0.962 0.462 CA 1.218 27 residues pruned to eliminate duplicates Z: 7 3.225 1.482 0.247 0.288 0.833 0.500 CA 1.084 Z: 22 35.416 2.177 0.816 0.853 0.952 0.762 CB 1.518 22 residues pruned to eliminate duplicates Z: 7 2.836 1.373 0.298 0.463 1.000 0.667 CB 0.675 Z: 13 7.927 1.844 0.560 0.389 0.667 0.500 CB 1.343 13 residues pruned to eliminate duplicates Z: 10 9.472 1.833 0.516 0.643 0.889 0.778 CB 1.118 10 residues pruned to eliminate duplicates Z: 19 14.565 1.895 0.527 0.428 0.889 0.611 CA 1.438 19 residues pruned to eliminate duplicates Z: 6 6.195 1.758 0.723 0.637 1.000 0.800 N 0.805 Z: 29 14.890 1.947 0.391 0.413 0.929 0.393 CB 1.225 29 residues pruned to eliminate duplicates Z: 6 6.031 1.487 0.784 0.742 1.000 1.000 CA 0.819 Z: 7 2.016 1.493 0.025 0.528 0.667 0.500 C 0.784 6 residues pruned to eliminate duplicates Z: 6 6.730 1.621 0.238 0.645 1.000 0.600 O 1.311 Z: 20 13.461 1.961 0.475 0.524 0.842 0.632 CB 1.238 20 residues pruned to eliminate duplicates Z: 18 5.893 1.704 0.303 0.273 0.765 0.353 CB 1.089 18 residues pruned to eliminate duplicates Z: 11 11.490 1.800 0.678 0.569 0.900 0.600 CA 1.251 11 residues pruned to eliminate duplicates Z: 7 3.572 1.382 0.312 0.291 1.000 0.667 CB 1.016 Z: 20 25.790 2.043 0.680 0.923 0.842 0.526 CB 1.438 20 residues pruned to eliminate duplicates Z: 46 38.565 2.113 0.686 0.645 0.956 0.511 CB 1.476 46 residues pruned to eliminate duplicates Z: 11 13.564 1.835 0.675 0.849 0.800 0.600 CB 1.293 11 residues pruned to eliminate duplicates Z: 33 17.535 1.911 0.376 0.478 0.875 0.562 CA 1.378 31 residues pruned to eliminate duplicates Z: 10 4.633 1.711 0.229 0.438 0.667 0.333 CB 1.174 10 residues pruned to eliminate duplicates 6 1.832 1.285 0.701 0.678 1.000 0.800 CB 0.318 ? Z: 38 19.681 1.943 0.411 0.382 0.919 0.541 CB 1.456 38 residues pruned to eliminate duplicates Z: 14 8.879 1.933 0.314 0.458 0.846 0.692 CA 1.197 14 residues pruned to eliminate duplicates Z: 12 7.219 1.511 0.810 0.373 1.000 0.545 CB 0.911 12 residues pruned to eliminate duplicates Z: 10 2.895 1.600 0.040 0.452 0.778 0.556 CB 0.783 Z: 10 4.260 1.515 0.326 0.455 0.889 0.444 CB 0.833 Z: 16 11.438 1.849 0.240 0.400 0.933 0.533 CB 1.533 16 residues pruned to eliminate duplicates Z: 6 3.246 1.814 0.007 0.392 0.800 0.400 CB 1.114 Z: 8 7.189 1.725 0.425 0.708 0.857 0.857 CB 1.067 8 residues pruned to eliminate duplicates Z: 7 6.960 1.722 0.640 0.519 0.833 0.667 CB 1.185 7 residues pruned to eliminate duplicates Z: 29 14.968 1.813 0.376 0.473 0.929 0.536 CA 1.255 29 residues pruned to eliminate duplicates Z: 7 5.457 1.662 0.119 0.463 1.000 0.500 N 1.244 7 residues pruned to eliminate duplicates Z: 21 34.112 2.050 0.818 0.939 1.000 0.700 CB 1.422 21 residues pruned to eliminate duplicates Z: 25 18.090 1.998 0.413 0.439 0.958 0.583 CA 1.453 25 residues pruned to eliminate duplicates 6 1.290 1.158 0.268 0.467 0.600 0.600 N 0.677 ? Z: 8 3.856 1.322 0.239 0.467 0.857 0.571 N 1.073 Z: 12 6.268 1.782 0.316 0.501 0.909 0.455 CB 0.885 12 residues pruned to eliminate duplicates Z: 12 12.191 1.879 0.403 0.818 1.000 0.545 CA 1.057 12 residues pruned to eliminate duplicates Z: 27 19.109 2.097 0.504 0.363 0.808 0.538 CB 1.704 27 residues pruned to eliminate duplicates Z: 33 19.215 2.105 0.594 0.358 0.844 0.500 CB 1.399 33 residues pruned to eliminate duplicates Z: 6 2.265 1.402 0.358 0.384 0.600 0.600 N 1.003 Z: 9 8.733 1.973 0.447 0.413 0.875 0.500 CB 1.355 9 residues pruned to eliminate duplicates Z: 8 3.113 1.583 0.440 0.253 0.571 0.286 CA 1.200 Z: 7 6.336 1.635 0.244 0.638 1.000 0.333 CB 1.118 6 residues pruned to eliminate duplicates Z: 7 4.273 1.462 0.559 0.229 1.000 0.333 CB 1.050 Z: 12 6.176 1.754 -0.011 0.404 0.909 0.545 CA 1.306 12 residues pruned to eliminate duplicates Z: 24 12.285 1.708 0.488 0.460 0.913 0.522 CA 1.150 24 residues pruned to eliminate duplicates Z: 13 8.381 1.891 0.208 0.798 0.917 0.667 CB 0.890 13 residues pruned to eliminate duplicates Z: 7 2.276 1.094 0.951 0.426 0.667 0.333 CA 0.705 Z: 39 23.874 2.085 0.575 0.468 0.895 0.500 CB 1.362 39 residues pruned to eliminate duplicates Z: 8 3.809 1.563 0.356 0.391 0.714 0.286 CB 1.067 8 residues pruned to eliminate duplicates Z: 24 16.665 1.938 0.384 0.496 0.913 0.696 CA 1.425 24 residues pruned to eliminate duplicates Z: 8 2.099 1.467 0.160 0.211 0.857 0.571 CB 0.765 Z: 29 17.917 1.963 0.389 0.422 1.000 0.536 CB 1.347 29 residues pruned to eliminate duplicates Z: 27 14.488 1.857 0.371 0.409 0.923 0.615 CB 1.330 27 residues pruned to eliminate duplicates Z: 9 5.131 1.584 0.500 0.472 0.750 0.500 CA 1.048 8 residues pruned to eliminate duplicates Z: 10 4.285 1.347 0.469 0.315 0.889 0.333 CA 0.996 Z: 83 36.458 2.030 0.536 0.526 0.866 0.561 CA 1.452 83 residues pruned to eliminate duplicates Z: 8 5.399 1.444 0.357 0.456 1.000 0.429 CB 1.090 7 residues pruned to eliminate duplicates Z: 7 5.393 1.327 0.895 0.626 0.833 0.667 CB 0.933 Z: 31 15.088 1.772 0.417 0.493 0.867 0.667 CA 1.275 31 residues pruned to eliminate duplicates Z: 16 5.232 1.502 0.501 0.232 0.733 0.333 CA 1.116 16 residues pruned to eliminate duplicates Z: 13 8.323 1.894 0.222 0.425 0.833 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 6 3.050 1.511 0.764 0.299 0.600 0.600 CB 1.068 Z: 15 25.946 2.188 0.924 0.899 1.000 0.429 CB 1.178 15 residues pruned to eliminate duplicates Z: 7 2.992 1.413 -0.098 0.480 1.000 0.833 CB 0.977 Z: 10 4.576 1.757 0.241 0.274 0.778 0.444 CA 1.162 10 residues pruned to eliminate duplicates Z: 19 17.658 1.965 0.526 0.525 1.000 0.722 CB 1.354 19 residues pruned to eliminate duplicates Z: 14 24.391 2.239 0.868 0.869 0.923 0.692 CB 1.280 14 residues pruned to eliminate duplicates Z: 9 4.258 1.710 -0.114 0.518 1.000 0.375 CA 0.976 9 residues pruned to eliminate duplicates Z: 7 3.170 1.424 0.348 0.418 0.667 0.500 CB 1.103 Z: 26 15.486 1.873 0.356 0.505 0.920 0.600 CA 1.318 27 residues pruned to eliminate duplicates Z: 13 7.097 1.767 0.296 0.439 0.917 0.250 CB 1.039 13 residues pruned to eliminate duplicates Z: 42 29.155 2.074 0.614 0.562 0.902 0.439 CB 1.419 42 residues pruned to eliminate duplicates Z: 9 2.768 1.551 0.720 0.264 0.750 0.625 CB 0.640 9 residues pruned to eliminate duplicates Z: 7 5.005 1.636 0.599 0.386 1.000 0.667 CA 0.882 7 residues pruned to eliminate duplicates Z: 6 3.934 1.537 0.752 0.626 0.800 0.600 CA 0.725 7 1.168 1.091 0.425 0.187 0.667 0.333 CA 0.669 ? Z: 29 14.051 1.948 0.311 0.441 0.893 0.607 CB 1.237 29 residues pruned to eliminate duplicates Z: 8 4.851 1.632 0.670 0.526 0.714 0.714 CB 0.918 8 residues pruned to eliminate duplicates Z: 6 5.719 1.525 0.513 0.820 1.000 0.600 CB 0.840 6 residues pruned to eliminate duplicates Z: 7 9.280 1.824 0.640 0.677 1.000 0.833 CA 1.076 8 residues pruned to eliminate duplicates Z: 24 13.533 1.881 0.452 0.354 0.913 0.565 CA 1.325 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 6.839 1.911 0.617 0.498 0.714 0.571 CB 1.174 8 residues pruned to eliminate duplicates Z: 6 6.966 1.783 0.712 0.670 0.800 0.800 N 1.090 6 residues pruned to eliminate duplicates Z: 7 8.573 1.790 0.977 0.580 1.000 0.667 CB 0.916 7 residues pruned to eliminate duplicates Z: 6 7.551 1.889 0.810 0.583 0.800 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 12 6.572 1.670 0.479 0.458 0.818 0.273 CB 1.024 12 residues pruned to eliminate duplicates Z: 10 6.876 1.745 0.402 0.371 0.889 0.333 CA 1.210 9 residues pruned to eliminate duplicates Z: 6 3.266 1.507 0.269 0.441 1.000 0.400 CA 0.812 6 residues pruned to eliminate duplicates Z: 12 7.598 1.518 0.696 0.453 0.909 0.364 CA 1.027 11 residues pruned to eliminate duplicates Z: 7 2.866 1.796 0.699 0.340 0.667 0.333 CA 0.685 7 residues pruned to eliminate duplicates Z: 20 11.543 1.847 0.460 0.432 0.947 0.526 CB 1.113 18 residues pruned to eliminate duplicates Z: 6 2.340 1.500 0.209 0.261 1.000 0.400 CA 0.758 6 residues pruned to eliminate duplicates Z: 17 11.042 1.905 0.643 0.420 0.812 0.500 CB 1.180 17 residues pruned to eliminate duplicates Z: 13 9.716 1.853 0.358 0.483 0.917 0.583 CB 1.238 13 residues pruned to eliminate duplicates Z: 14 8.090 1.818 0.317 0.425 0.769 0.385 CB 1.317 14 residues pruned to eliminate duplicates Z: 12 7.137 1.905 0.330 0.534 0.636 0.455 CB 1.291 12 residues pruned to eliminate duplicates Z: 15 10.312 1.786 0.358 0.413 1.000 0.643 CB 1.245 15 residues pruned to eliminate duplicates Z: 13 8.647 1.877 0.218 0.472 1.000 0.417 CB 1.124 13 residues pruned to eliminate duplicates Z: 15 8.860 1.845 0.147 0.394 1.000 0.357 CB 1.251 15 residues pruned to eliminate duplicates Z: 13 10.068 1.918 0.360 0.435 1.000 0.500 CB 1.191 13 residues pruned to eliminate duplicates Z: 14 7.856 1.829 0.325 0.406 0.923 0.615 CB 1.075 14 residues pruned to eliminate duplicates Z: 13 7.215 1.782 0.553 0.374 0.750 0.417 CB 1.147 11 residues pruned to eliminate duplicates Z: 7 7.206 1.596 0.717 0.731 0.833 0.333 CA 1.047 6 residues pruned to eliminate duplicates Z: 6 7.130 1.949 0.639 0.556 0.800 0.400 CB 1.182 6 residues pruned to eliminate duplicates Z: 12 8.205 1.824 0.584 0.328 0.818 0.182 CB 1.264 12 residues pruned to eliminate duplicates Z: 7 5.815 1.720 0.487 0.421 0.667 0.333 CA 1.513 7 residues pruned to eliminate duplicates Z: 12 8.404 1.859 0.361 0.305 0.909 0.364 CB 1.369 12 residues pruned to eliminate duplicates Z: 9 7.782 2.020 0.242 0.311 0.875 0.500 CB 1.545 9 residues pruned to eliminate duplicates Z: 10 9.548 1.947 0.478 0.348 0.889 0.222 CB 1.467 10 residues pruned to eliminate duplicates Z: 21 18.105 1.917 0.722 0.462 0.900 0.500 CB 1.417 21 residues pruned to eliminate duplicates Z: 8 5.708 1.845 0.368 0.483 0.714 0.143 CB 1.217 8 residues pruned to eliminate duplicates Z: 21 16.966 1.911 0.524 0.398 0.950 0.700 CB 1.528 21 residues pruned to eliminate duplicates Z: 26 19.830 1.964 0.591 0.511 0.920 0.560 CA 1.365 26 residues pruned to eliminate duplicates Z: 14 9.983 1.853 0.471 0.387 0.846 0.385 N 1.354 14 residues pruned to eliminate duplicates Z: 27 19.286 1.943 0.546 0.442 0.962 0.538 CB 1.390 27 residues pruned to eliminate duplicates Z: 26 17.135 1.882 0.584 0.437 0.920 0.680 CA 1.333 26 residues pruned to eliminate duplicates Z: 24 16.845 1.959 0.491 0.382 0.957 0.609 CA 1.425 24 residues pruned to eliminate duplicates Z: 25 16.863 1.925 0.580 0.425 0.917 0.583 CA 1.335 25 residues pruned to eliminate duplicates Z: 26 13.259 1.902 0.481 0.368 0.840 0.440 CA 1.292 26 residues pruned to eliminate duplicates Z: 25 19.017 1.988 0.477 0.477 0.958 0.583 CA 1.412 25 residues pruned to eliminate duplicates Z: 17 19.125 2.016 0.640 0.449 1.000 0.625 CB 1.524 17 residues pruned to eliminate duplicates Z: 24 19.012 2.008 0.661 0.368 0.913 0.478 CB 1.500 24 residues pruned to eliminate duplicates Z: 22 12.061 1.903 0.542 0.280 0.857 0.476 CA 1.341 22 residues pruned to eliminate duplicates Z: 24 17.865 1.994 0.643 0.393 0.870 0.609 CB 1.464 24 residues pruned to eliminate duplicates Z: 20 18.124 1.967 0.674 0.442 0.947 0.632 CB 1.414 20 residues pruned to eliminate duplicates Z: 29 14.909 1.869 0.497 0.411 0.857 0.429 CB 1.290 29 residues pruned to eliminate duplicates Z: 27 18.200 1.918 0.584 0.424 0.923 0.615 CB 1.377 27 residues pruned to eliminate duplicates Z: 27 17.911 1.887 0.583 0.433 0.923 0.500 CB 1.365 27 residues pruned to eliminate duplicates Z: 19 15.049 2.027 0.602 0.341 0.889 0.778 CB 1.461 19 residues pruned to eliminate duplicates Z: 6 4.203 1.916 0.183 0.287 0.800 0.200 CA 1.317 6 residues pruned to eliminate duplicates Z: 30 13.547 1.778 0.594 0.393 0.793 0.483 CB 1.253 30 residues pruned to eliminate duplicates Z: 26 19.129 1.969 0.506 0.434 0.920 0.560 CB 1.502 26 residues pruned to eliminate duplicates Z: 27 14.545 1.876 0.430 0.418 0.923 0.538 CB 1.255 27 residues pruned to eliminate duplicates Z: 9 11.154 1.870 0.550 0.675 0.875 0.500 CB 1.323 9 residues pruned to eliminate duplicates Z: 9 6.857 1.638 1.008 0.495 0.750 0.500 CB 0.987 9 residues pruned to eliminate duplicates Z: 8 6.418 1.670 0.679 0.485 0.857 0.571 CA 1.024 8 residues pruned to eliminate duplicates Z: 9 10.852 1.853 0.920 0.414 0.875 0.375 CA 1.348 9 residues pruned to eliminate duplicates Z: 9 4.644 1.726 0.391 0.516 0.750 0.625 CB 0.898 9 residues pruned to eliminate duplicates Z: 17 12.066 1.870 0.457 0.439 0.875 0.750 CA 1.348 17 residues pruned to eliminate duplicates Z: 38 22.909 2.010 0.481 0.479 0.892 0.595 CB 1.449 38 residues pruned to eliminate duplicates Z: 38 23.614 2.035 0.444 0.481 0.946 0.595 CB 1.424 38 residues pruned to eliminate duplicates Z: 36 23.021 2.079 0.411 0.480 0.886 0.543 CA 1.529 36 residues pruned to eliminate duplicates Z: 39 23.843 1.992 0.475 0.504 0.947 0.579 CA 1.383 39 residues pruned to eliminate duplicates Z: 37 22.100 2.034 0.418 0.456 0.917 0.472 CB 1.456 37 residues pruned to eliminate duplicates Z: 29 18.723 1.993 0.440 0.422 0.964 0.464 CA 1.386 29 residues pruned to eliminate duplicates Z: 36 19.706 1.840 0.601 0.435 0.914 0.429 CB 1.323 36 residues pruned to eliminate duplicates Z: 36 21.281 2.080 0.430 0.442 0.914 0.657 CA 1.405 36 residues pruned to eliminate duplicates Z: 16 12.057 1.841 0.551 0.392 0.933 0.467 CA 1.310 16 residues pruned to eliminate duplicates Z: 28 16.236 2.043 0.350 0.469 0.852 0.556 CA 1.373 28 residues pruned to eliminate duplicates Z: 38 21.360 2.003 0.452 0.456 0.892 0.568 CA 1.416 37 residues pruned to eliminate duplicates Z: 37 23.871 2.023 0.510 0.487 0.944 0.639 CA 1.397 37 residues pruned to eliminate duplicates Z: 36 21.029 2.080 0.390 0.443 0.886 0.514 CA 1.472 36 residues pruned to eliminate duplicates Z: 26 13.777 2.076 0.362 0.450 0.800 0.520 CA 1.282 26 residues pruned to eliminate duplicates Z: 39 23.626 1.994 0.433 0.480 0.921 0.579 CA 1.486 39 residues pruned to eliminate duplicates Z: 25 15.627 2.122 0.388 0.492 0.792 0.542 CB 1.379 25 residues pruned to eliminate duplicates Z: 28 14.824 2.006 0.405 0.416 0.815 0.444 CB 1.357 28 residues pruned to eliminate duplicates Z: 36 22.526 2.074 0.475 0.451 0.914 0.543 CA 1.431 36 residues pruned to eliminate duplicates Z: 25 13.715 2.029 0.303 0.447 0.792 0.500 CB 1.412 25 residues pruned to eliminate duplicates Z: 22 18.061 2.132 0.382 0.531 1.000 0.667 CA 1.297 22 residues pruned to eliminate duplicates Z: 40 20.501 1.960 0.416 0.440 0.897 0.590 CA 1.402 40 residues pruned to eliminate duplicates Z: 24 15.967 2.035 0.368 0.490 0.957 0.652 CA 1.263 24 residues pruned to eliminate duplicates Z: 37 24.957 2.037 0.483 0.500 0.944 0.722 CA 1.458 37 residues pruned to eliminate duplicates Z: 27 16.458 2.086 0.471 0.444 0.808 0.462 CA 1.380 27 residues pruned to eliminate duplicates Z: 38 21.919 1.982 0.435 0.475 0.919 0.568 CB 1.414 36 residues pruned to eliminate duplicates Z: 24 17.349 2.140 0.429 0.499 0.826 0.522 CA 1.434 25 residues pruned to eliminate duplicates Z: 36 22.668 2.073 0.454 0.467 0.886 0.600 CA 1.484 36 residues pruned to eliminate duplicates Z: 18 8.401 1.786 0.431 0.399 0.882 0.647 CB 1.005 9 residues pruned to eliminate duplicates Z: 20 16.919 2.073 0.445 0.560 0.947 0.632 CB 1.291 28 residues pruned to eliminate duplicates Z: 10 14.854 2.046 0.923 0.622 1.000 0.778 CB 1.122 10 residues pruned to eliminate duplicates Z: 24 18.792 2.051 0.501 0.506 0.913 0.696 CB 1.385 24 residues pruned to eliminate duplicates Z: 36 24.559 2.092 0.522 0.479 0.886 0.571 CA 1.503 37 residues pruned to eliminate duplicates Z: 25 17.306 2.018 0.369 0.494 0.958 0.583 CA 1.342 25 residues pruned to eliminate duplicates Z: 8 3.723 1.585 0.603 0.362 0.714 0.429 N 0.899 8 residues pruned to eliminate duplicates Z: 8 4.568 1.861 0.487 0.283 0.714 0.286 CA 1.116 8 residues pruned to eliminate duplicates Z: 9 3.892 1.761 0.322 0.334 0.875 0.375 CA 0.810 9 residues pruned to eliminate duplicates Z: 12 3.601 1.564 0.364 0.219 0.818 0.273 CA 0.865 12 residues pruned to eliminate duplicates Z: 9 7.227 1.834 0.652 0.368 0.875 0.375 CA 1.111 17 residues pruned to eliminate duplicates Z: 8 7.779 1.684 0.845 0.527 1.000 0.857 CA 0.922 8 residues pruned to eliminate duplicates Z: 15 10.692 2.008 0.361 0.398 0.857 0.500 CB 1.358 15 residues pruned to eliminate duplicates Z: 23 11.861 1.962 0.403 0.309 0.818 0.409 CB 1.389 23 residues pruned to eliminate duplicates Z: 18 10.575 1.945 0.343 0.379 0.882 0.471 CB 1.266 18 residues pruned to eliminate duplicates Z: 22 10.086 1.825 0.430 0.371 0.762 0.476 CB 1.270 22 residues pruned to eliminate duplicates Z: 17 11.283 2.028 0.625 0.300 0.750 0.562 CB 1.427 17 residues pruned to eliminate duplicates Z: 13 11.513 2.129 0.522 0.370 0.917 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 7 2.650 1.616 0.269 0.171 0.667 0.333 CA 1.179 7 residues pruned to eliminate duplicates Z: 25 14.884 2.004 0.592 0.361 0.833 0.500 CB 1.328 25 residues pruned to eliminate duplicates Z: 27 12.365 1.965 0.495 0.301 0.769 0.538 CB 1.340 27 residues pruned to eliminate duplicates Z: 11 9.510 1.953 0.642 0.369 0.800 0.500 CA 1.349 11 residues pruned to eliminate duplicates Z: 13 8.856 1.722 0.864 0.333 0.750 0.417 CB 1.275 13 residues pruned to eliminate duplicates Z: 11 8.847 2.010 0.558 0.389 0.700 0.500 CB 1.435 11 residues pruned to eliminate duplicates Z: 60 35.510 2.070 0.455 0.599 0.932 0.644 CA 1.498 60 residues pruned to eliminate duplicates Z: 76 35.173 2.045 0.459 0.555 0.893 0.547 CA 1.444 76 residues pruned to eliminate duplicates Z: 13 7.861 1.830 0.588 0.364 0.750 0.417 CA 1.205 13 residues pruned to eliminate duplicates Z: 54 33.822 2.064 0.417 0.619 0.962 0.755 CA 1.475 54 residues pruned to eliminate duplicates Z: 76 38.584 2.079 0.471 0.544 0.960 0.613 CA 1.454 76 residues pruned to eliminate duplicates Z: 44 27.498 2.028 0.391 0.625 0.930 0.698 CA 1.421 44 residues pruned to eliminate duplicates Z: 74 38.605 2.085 0.490 0.549 0.945 0.712 CA 1.467 74 residues pruned to eliminate duplicates Z: 84 32.529 2.058 0.344 0.545 0.867 0.614 CA 1.424 84 residues pruned to eliminate duplicates Z: 43 19.188 2.005 0.459 0.366 0.810 0.524 CB 1.445 43 residues pruned to eliminate duplicates Z: 28 18.753 2.031 0.312 0.576 0.926 0.630 CA 1.359 28 residues pruned to eliminate duplicates Z: 58 30.245 2.017 0.545 0.508 0.912 0.561 CA 1.398 58 residues pruned to eliminate duplicates Z: 52 34.372 2.069 0.408 0.616 0.980 0.647 CA 1.509 52 residues pruned to eliminate duplicates Z: 34 22.220 2.086 0.387 0.609 0.909 0.667 CA 1.326 34 residues pruned to eliminate duplicates Z: 85 37.119 2.063 0.473 0.530 0.905 0.571 CA 1.429 84 residues pruned to eliminate duplicates Z: 20 25.859 2.099 0.422 0.828 1.000 0.789 CA 1.498 20 residues pruned to eliminate duplicates Z: 21 9.315 1.872 0.431 0.329 0.750 0.500 CA 1.250 21 residues pruned to eliminate duplicates Z: 41 17.927 1.945 0.305 0.478 0.925 0.625 CB 1.235 41 residues pruned to eliminate duplicates Z: 49 26.582 2.022 0.483 0.572 0.854 0.667 CA 1.397 49 residues pruned to eliminate duplicates Z: 73 33.562 2.040 0.504 0.514 0.889 0.528 CA 1.430 73 residues pruned to eliminate duplicates Z: 79 40.404 2.066 0.559 0.535 0.923 0.615 CA 1.486 79 residues pruned to eliminate duplicates Z: 54 35.530 2.074 0.453 0.625 0.962 0.660 CA 1.496 54 residues pruned to eliminate duplicates Z: 77 41.315 2.069 0.560 0.541 0.921 0.579 CA 1.531 77 residues pruned to eliminate duplicates Z: 41 35.105 2.093 0.589 0.675 0.975 0.725 CA 1.457 41 residues pruned to eliminate duplicates Z: 43 32.096 2.090 0.496 0.663 0.929 0.643 CA 1.467 43 residues pruned to eliminate duplicates Z: 43 36.472 2.084 0.584 0.688 0.952 0.619 CA 1.507 43 residues pruned to eliminate duplicates Z: 46 29.773 2.068 0.466 0.613 0.956 0.511 CA 1.377 46 residues pruned to eliminate duplicates Z: 50 34.154 2.096 0.512 0.564 0.939 0.633 CB 1.542 50 residues pruned to eliminate duplicates Z: 73 39.787 2.073 0.520 0.567 0.944 0.625 CA 1.478 73 residues pruned to eliminate duplicates Z: 44 25.660 2.009 0.480 0.539 0.907 0.558 CA 1.396 44 residues pruned to eliminate duplicates Z: 68 39.853 2.095 0.576 0.561 0.940 0.507 CA 1.478 68 residues pruned to eliminate duplicates Z: 75 38.755 2.048 0.602 0.551 0.905 0.568 CA 1.443 75 residues pruned to eliminate duplicates Z: 29 28.637 2.053 0.599 0.711 0.964 0.393 CB 1.412 29 residues pruned to eliminate duplicates Z: 34 26.982 2.101 0.415 0.613 0.909 0.697 CA 1.561 34 residues pruned to eliminate duplicates Z: 64 34.178 2.062 0.490 0.548 0.905 0.683 CA 1.479 64 residues pruned to eliminate duplicates Z: 38 23.311 2.036 0.657 0.356 0.865 0.541 CA 1.533 38 residues pruned to eliminate duplicates Z: 73 39.042 2.061 0.597 0.556 0.889 0.542 CB 1.490 73 residues pruned to eliminate duplicates Z: 43 28.138 2.052 0.524 0.551 0.905 0.595 CB 1.459 43 residues pruned to eliminate duplicates Z: 41 29.774 2.072 0.667 0.473 0.950 0.575 CA 1.474 41 residues pruned to eliminate duplicates Z: 86 41.058 2.053 0.586 0.544 0.906 0.553 CA 1.446 86 residues pruned to eliminate duplicates Z: 79 41.044 2.067 0.587 0.526 0.910 0.487 CA 1.516 79 residues pruned to eliminate duplicates Z: 37 30.821 2.037 0.602 0.674 0.917 0.417 CB 1.463 37 residues pruned to eliminate duplicates Z: 83 38.533 2.063 0.495 0.539 0.902 0.573 CA 1.472 83 residues pruned to eliminate duplicates Z: 57 38.723 2.114 0.635 0.584 0.893 0.500 CA 1.548 57 residues pruned to eliminate duplicates Z: 78 39.480 2.061 0.492 0.525 0.935 0.545 CA 1.526 78 residues pruned to eliminate duplicates Z: 9 9.654 2.036 0.363 0.635 0.875 0.500 CA 1.238 9 residues pruned to eliminate duplicates Z: 42 30.000 2.039 0.622 0.494 0.951 0.634 CA 1.498 42 residues pruned to eliminate duplicates Z: 21 16.357 1.967 0.420 0.601 0.950 0.700 CB 1.252 21 residues pruned to eliminate duplicates Z: 45 26.185 2.024 0.657 0.448 0.886 0.432 CB 1.401 45 residues pruned to eliminate duplicates Z: 67 42.070 2.079 0.641 0.566 0.955 0.576 CB 1.493 67 residues pruned to eliminate duplicates Z: 46 29.160 2.044 0.571 0.495 0.956 0.511 CB 1.424 46 residues pruned to eliminate duplicates Z: 58 38.422 2.089 0.656 0.573 0.912 0.439 CA 1.502 58 residues pruned to eliminate duplicates Z: 68 41.966 2.071 0.607 0.556 0.970 0.552 CA 1.504 68 residues pruned to eliminate duplicates Z: 77 36.883 2.049 0.523 0.524 0.882 0.539 CA 1.503 77 residues pruned to eliminate duplicates Z: 21 19.773 2.158 0.620 0.343 0.950 0.550 CA 1.580 21 residues pruned to eliminate duplicates Z: 40 26.889 2.087 0.498 0.480 0.949 0.513 CB 1.482 40 residues pruned to eliminate duplicates Z: 39 26.293 2.088 0.491 0.471 0.974 0.553 CA 1.449 39 residues pruned to eliminate duplicates Z: 46 23.363 2.000 0.429 0.452 0.911 0.489 CA 1.406 46 residues pruned to eliminate duplicates Z: 78 38.963 2.062 0.544 0.504 0.909 0.494 CA 1.528 78 residues pruned to eliminate duplicates Z: 41 26.511 2.037 0.569 0.448 0.950 0.525 CB 1.455 41 residues pruned to eliminate duplicates Z: 23 14.783 2.025 0.578 0.315 0.818 0.409 CA 1.478 23 residues pruned to eliminate duplicates Z: 24 15.016 1.977 0.455 0.451 0.870 0.522 CA 1.316 24 residues pruned to eliminate duplicates Z: 27 19.576 2.074 0.641 0.306 0.885 0.538 CB 1.581 27 residues pruned to eliminate duplicates Z: 46 27.184 2.013 0.500 0.515 0.933 0.556 CA 1.417 46 residues pruned to eliminate duplicates Z: 27 17.713 2.006 0.599 0.329 0.885 0.385 CB 1.478 27 residues pruned to eliminate duplicates Z: 25 14.909 2.001 0.508 0.377 0.833 0.417 CA 1.381 25 residues pruned to eliminate duplicates Z: 67 41.911 2.100 0.566 0.559 0.955 0.545 CB 1.553 67 residues pruned to eliminate duplicates Z: 32 18.955 2.010 0.541 0.354 0.903 0.452 CB 1.425 32 residues pruned to eliminate duplicates Z: 26 13.534 1.996 0.465 0.348 0.800 0.440 CA 1.364 26 residues pruned to eliminate duplicates Z: 50 25.327 1.998 0.621 0.439 0.918 0.429 CB 1.296 50 residues pruned to eliminate duplicates Z: 30 18.108 1.997 0.660 0.285 0.828 0.448 CA 1.561 30 residues pruned to eliminate duplicates Z: 45 28.775 2.060 0.564 0.498 0.932 0.591 CA 1.448 45 residues pruned to eliminate duplicates Z: 46 25.692 2.047 0.476 0.469 0.889 0.467 CA 1.473 46 residues pruned to eliminate duplicates Z: 46 27.289 2.053 0.552 0.486 0.911 0.578 CA 1.421 46 residues pruned to eliminate duplicates Z: 34 18.133 2.012 0.479 0.368 0.879 0.515 CA 1.391 34 residues pruned to eliminate duplicates Z: 47 22.635 1.963 0.350 0.514 0.891 0.565 CB 1.394 47 residues pruned to eliminate duplicates Z: 83 41.049 2.053 0.594 0.545 0.878 0.537 CA 1.510 83 residues pruned to eliminate duplicates Z: 76 37.474 2.066 0.469 0.546 0.947 0.533 CA 1.440 76 residues pruned to eliminate duplicates Z: 23 15.694 2.026 0.351 0.502 0.909 0.682 CA 1.342 23 residues pruned to eliminate duplicates Z: 49 28.456 2.028 0.526 0.455 0.938 0.500 CB 1.483 49 residues pruned to eliminate duplicates Z: 6 2.902 1.974 0.088 0.100 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 11 5.447 1.616 0.349 0.439 0.800 0.200 CA 1.052 7 residues pruned to eliminate duplicates Z: 7 2.284 1.310 0.619 0.390 0.833 0.500 CA 0.593 7 residues pruned to eliminate duplicates Z: 19 10.947 1.901 0.369 0.381 0.889 0.444 CA 1.266 19 residues pruned to eliminate duplicates Z: 11 8.489 1.809 0.791 0.260 1.000 0.400 CA 1.089 11 residues pruned to eliminate duplicates Z: 9 5.887 1.927 0.338 0.219 0.875 0.500 CA 1.282 9 residues pruned to eliminate duplicates Z: 11 7.946 1.911 0.550 0.272 0.900 0.500 CA 1.221 11 residues pruned to eliminate duplicates Z: 29 17.215 2.052 0.554 0.318 0.929 0.607 CA 1.343 29 residues pruned to eliminate duplicates Z: 12 8.573 1.907 0.759 0.269 0.909 0.545 CA 1.101 12 residues pruned to eliminate duplicates Z: 49 21.175 2.003 0.471 0.378 0.854 0.562 CB 1.384 49 residues pruned to eliminate duplicates Z: 12 7.854 1.914 0.676 0.243 0.909 0.364 CA 1.093 12 residues pruned to eliminate duplicates Z: 38 16.602 1.932 0.533 0.341 0.838 0.486 CB 1.309 38 residues pruned to eliminate duplicates Z: 54 24.103 1.972 0.454 0.454 0.906 0.604 CB 1.336 54 residues pruned to eliminate duplicates Z: 29 17.209 2.055 0.555 0.331 0.857 0.536 CA 1.429 29 residues pruned to eliminate duplicates Z: 29 11.615 1.964 0.361 0.283 0.786 0.536 CB 1.335 29 residues pruned to eliminate duplicates Z: 39 19.612 1.938 0.372 0.445 0.868 0.553 CB 1.458 39 residues pruned to eliminate duplicates Z: 30 13.938 1.937 0.418 0.309 0.897 0.517 CB 1.299 30 residues pruned to eliminate duplicates Z: 32 14.513 2.001 0.513 0.310 0.742 0.516 CA 1.432 32 residues pruned to eliminate duplicates Z: 51 19.709 1.940 0.396 0.410 0.860 0.540 CB 1.315 51 residues pruned to eliminate duplicates Z: 23 12.748 1.986 0.342 0.385 0.864 0.636 CB 1.334 23 residues pruned to eliminate duplicates Z: 33 15.384 2.000 0.456 0.331 0.781 0.594 CB 1.437 33 residues pruned to eliminate duplicates Z: 31 14.583 2.003 0.460 0.361 0.833 0.600 CB 1.269 31 residues pruned to eliminate duplicates Z: 29 18.040 2.037 0.656 0.319 0.857 0.464 CA 1.440 34 residues pruned to eliminate duplicates Z: 8 7.857 1.719 0.525 0.508 0.857 0.429 CA 1.311 8 residues pruned to eliminate duplicates Z: 20 15.354 1.855 0.549 0.508 1.000 0.526 CB 1.216 20 residues pruned to eliminate duplicates Z: 14 10.794 1.874 0.346 0.474 0.923 0.538 CB 1.321 14 residues pruned to eliminate duplicates Z: 37 15.555 1.913 0.268 0.453 0.861 0.611 CB 1.302 37 residues pruned to eliminate duplicates Z: 21 12.067 1.878 0.282 0.506 0.850 0.650 CB 1.310 21 residues pruned to eliminate duplicates Z: 23 14.693 1.862 0.420 0.484 0.909 0.682 CB 1.325 23 residues pruned to eliminate duplicates Z: 32 14.395 1.856 0.355 0.407 0.839 0.581 CB 1.352 32 residues pruned to eliminate duplicates Z: 16 12.157 1.869 0.399 0.457 0.867 0.667 CB 1.447 16 residues pruned to eliminate duplicates Z: 32 14.328 1.867 0.325 0.415 0.871 0.548 CB 1.305 32 residues pruned to eliminate duplicates Z: 30 12.879 1.850 0.344 0.409 0.793 0.552 CB 1.335 30 residues pruned to eliminate duplicates Z: 12 8.537 1.886 0.521 0.448 0.909 0.455 CB 1.042 12 residues pruned to eliminate duplicates Z: 18 10.408 1.886 0.398 0.420 0.765 0.529 CB 1.360 18 residues pruned to eliminate duplicates Z: 17 12.126 1.853 0.441 0.453 0.812 0.500 CB 1.466 17 residues pruned to eliminate duplicates Z: 19 11.338 1.826 0.352 0.448 0.944 0.611 CB 1.208 19 residues pruned to eliminate duplicates Z: 20 15.308 1.921 0.405 0.521 0.947 0.737 CB 1.346 20 residues pruned to eliminate duplicates Z: 19 11.602 1.913 0.263 0.437 0.944 0.611 CB 1.279 19 residues pruned to eliminate duplicates Z: 26 13.059 1.976 0.390 0.383 0.840 0.520 CB 1.282 26 residues pruned to eliminate duplicates Z: 23 14.973 1.855 0.463 0.442 0.955 0.500 CB 1.308 23 residues pruned to eliminate duplicates Z: 9 5.026 1.803 0.352 0.366 0.750 0.375 CB 1.122 9 residues pruned to eliminate duplicates Z: 53 18.314 1.943 0.285 0.389 0.827 0.538 CB 1.383 53 residues pruned to eliminate duplicates Z: 16 13.539 2.063 0.419 0.419 0.867 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 25 11.583 1.932 0.432 0.363 0.833 0.583 CB 1.188 25 residues pruned to eliminate duplicates Z: 25 16.710 1.925 0.500 0.424 0.917 0.667 CB 1.394 25 residues pruned to eliminate duplicates Z: 48 14.514 1.861 0.403 0.358 0.745 0.468 CB 1.269 48 residues pruned to eliminate duplicates Z: 16 14.639 1.970 0.516 0.505 0.933 0.667 CB 1.349 16 residues pruned to eliminate duplicates Z: 19 16.876 1.990 0.567 0.474 0.944 0.556 CB 1.387 19 residues pruned to eliminate duplicates Z: 30 14.318 1.916 0.430 0.353 0.862 0.517 CB 1.320 30 residues pruned to eliminate duplicates Z: 21 12.875 1.932 0.554 0.438 0.800 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 39 15.610 1.886 0.362 0.381 0.816 0.526 CB 1.371 39 residues pruned to eliminate duplicates Z: 13 16.116 1.974 0.631 0.576 1.000 0.833 CB 1.343 13 residues pruned to eliminate duplicates Z: 13 14.890 2.046 0.542 0.544 1.000 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 22 14.008 2.001 0.462 0.409 0.905 0.619 CB 1.270 22 residues pruned to eliminate duplicates Z: 49 22.091 1.925 0.556 0.401 0.875 0.542 CB 1.350 49 residues pruned to eliminate duplicates Z: 33 18.040 1.934 0.583 0.410 0.844 0.500 CB 1.357 33 residues pruned to eliminate duplicates Z: 71 23.916 2.004 0.469 0.349 0.829 0.543 CB 1.380 71 residues pruned to eliminate duplicates Z: 101 44.878 2.086 0.665 0.517 0.880 0.580 CB 1.444 110 residues pruned to eliminate duplicates Z: 7 5.861 1.560 0.674 0.491 0.833 0.500 O 1.109 7 residues pruned to eliminate duplicates Z: 121 48.422 2.073 0.601 0.491 0.925 0.600 CB 1.454 118 residues pruned to eliminate duplicates Z: 9 8.543 1.668 0.528 0.456 0.875 0.625 N 1.417 9 residues pruned to eliminate duplicates Z: 25 17.121 2.030 0.643 0.428 0.875 0.708 CB 1.290 25 residues pruned to eliminate duplicates Z: 13 9.939 2.064 0.392 0.378 0.833 0.500 CA 1.366 13 residues pruned to eliminate duplicates Z: 9 4.135 1.799 0.129 0.375 0.750 0.250 CB 1.096 9 residues pruned to eliminate duplicates Z: 27 16.003 2.029 0.514 0.401 0.808 0.654 CB 1.403 27 residues pruned to eliminate duplicates Z: 46 39.470 2.157 0.623 0.703 0.956 0.644 CB 1.462 46 residues pruned to eliminate duplicates Z: 44 42.299 2.194 0.599 0.716 0.977 0.674 CB 1.549 44 residues pruned to eliminate duplicates Z: 31 40.875 2.200 0.749 0.740 1.000 0.700 CB 1.564 31 residues pruned to eliminate duplicates Z: 34 41.886 2.194 0.802 0.683 1.000 0.758 CA 1.559 34 residues pruned to eliminate duplicates Z: 46 40.757 2.144 0.749 0.683 0.911 0.667 CA 1.503 46 residues pruned to eliminate duplicates Z: 39 29.902 2.169 0.511 0.572 0.921 0.579 CA 1.498 39 residues pruned to eliminate duplicates Z: 75 42.287 2.169 0.641 0.530 0.959 0.527 CB 1.398 75 residues pruned to eliminate duplicates Z: 73 40.966 2.097 0.598 0.582 0.958 0.681 CB 1.390 73 residues pruned to eliminate duplicates Z: 33 35.899 2.136 0.719 0.662 1.000 0.625 CB 1.487 33 residues pruned to eliminate duplicates Z: 35 29.397 2.191 0.477 0.575 0.941 0.529 CB 1.540 35 residues pruned to eliminate duplicates Z: 29 35.622 2.253 0.595 0.754 0.964 0.750 CB 1.549 29 residues pruned to eliminate duplicates Z: 41 32.616 2.086 0.659 0.602 0.950 0.625 CB 1.423 41 residues pruned to eliminate duplicates Z: 69 41.051 2.112 0.590 0.590 0.926 0.647 CB 1.469 69 residues pruned to eliminate duplicates Z: 51 39.029 2.112 0.686 0.654 0.940 0.640 CB 1.429 51 residues pruned to eliminate duplicates Z: 40 40.799 2.186 0.572 0.743 1.000 0.744 CA 1.529 40 residues pruned to eliminate duplicates Z: 51 39.645 2.112 0.566 0.668 0.980 0.740 CB 1.481 51 residues pruned to eliminate duplicates Z: 55 38.864 2.161 0.643 0.575 0.926 0.648 CB 1.497 55 residues pruned to eliminate duplicates Z: 44 38.837 2.177 0.618 0.698 0.977 0.628 CB 1.437 44 residues pruned to eliminate duplicates Z: 67 38.740 2.090 0.654 0.540 0.955 0.621 CB 1.389 67 residues pruned to eliminate duplicates Z: 33 35.067 2.204 0.651 0.688 0.969 0.688 CB 1.480 33 residues pruned to eliminate duplicates Z: 98 47.374 2.114 0.609 0.558 0.928 0.660 CB 1.441 100 residues pruned to eliminate duplicates Z: 21 38.588 2.265 0.750 0.921 1.000 0.650 CB 1.533 21 residues pruned to eliminate duplicates Z: 45 39.001 2.133 0.660 0.692 0.977 0.614 CB 1.425 45 residues pruned to eliminate duplicates Z: 43 44.140 2.162 0.797 0.726 0.952 0.571 CA 1.501 43 residues pruned to eliminate duplicates Z: 45 45.931 2.154 0.861 0.733 0.932 0.659 CB 1.504 45 residues pruned to eliminate duplicates Z: 45 34.951 2.122 0.560 0.690 0.932 0.614 CB 1.435 45 residues pruned to eliminate duplicates Z: 77 45.701 2.131 0.680 0.566 0.961 0.553 CB 1.430 77 residues pruned to eliminate duplicates Z: 38 31.676 2.115 0.730 0.593 0.946 0.541 CB 1.377 38 residues pruned to eliminate duplicates Z: 72 43.373 2.092 0.701 0.586 0.944 0.549 CB 1.412 72 residues pruned to eliminate duplicates Z: 43 34.451 2.177 0.465 0.702 0.929 0.595 CA 1.494 43 residues pruned to eliminate duplicates Z: 26 25.638 2.139 0.976 0.635 0.800 0.440 CB 1.336 26 residues pruned to eliminate duplicates Z: 53 41.002 2.150 0.786 0.640 0.904 0.596 CB 1.436 53 residues pruned to eliminate duplicates Z: 52 47.063 2.128 0.823 0.669 0.980 0.608 CB 1.482 52 residues pruned to eliminate duplicates Z: 51 41.128 2.128 0.722 0.664 0.960 0.520 CB 1.421 51 residues pruned to eliminate duplicates Z: 62 43.368 2.158 0.741 0.592 0.951 0.459 CB 1.423 62 residues pruned to eliminate duplicates Z: 74 47.579 2.168 0.753 0.575 0.918 0.521 CB 1.485 74 residues pruned to eliminate duplicates Z: 45 43.088 2.202 0.719 0.688 0.977 0.591 CB 1.479 45 residues pruned to eliminate duplicates Z: 43 44.368 2.178 0.776 0.719 1.000 0.619 CB 1.452 43 residues pruned to eliminate duplicates Z: 59 46.658 2.209 0.793 0.576 0.983 0.483 CB 1.463 59 residues pruned to eliminate duplicates Z: 75 48.101 2.181 0.727 0.575 0.946 0.527 CB 1.460 75 residues pruned to eliminate duplicates Z: 13 19.838 2.126 0.559 0.801 0.917 0.500 CB 1.449 13 residues pruned to eliminate duplicates Z: 52 46.548 2.211 0.753 0.645 0.961 0.529 CB 1.529 52 residues pruned to eliminate duplicates Z: 28 19.752 2.165 0.703 0.332 0.889 0.444 CB 1.393 28 residues pruned to eliminate duplicates Z: 30 24.047 2.178 0.733 0.438 0.897 0.552 CB 1.406 30 residues pruned to eliminate duplicates Z: 30 26.731 2.164 0.826 0.430 0.931 0.621 CB 1.451 30 residues pruned to eliminate duplicates Z: 8 9.495 1.631 0.557 0.612 1.000 0.714 N 1.271 8 residues pruned to eliminate duplicates Z: 24 19.979 2.215 0.707 0.316 0.957 0.478 CB 1.413 24 residues pruned to eliminate duplicates Z: 24 18.834 2.165 0.749 0.306 0.870 0.391 CB 1.481 24 residues pruned to eliminate duplicates Z: 73 51.055 2.195 0.818 0.589 0.944 0.528 CB 1.466 73 residues pruned to eliminate duplicates Z: 32 25.839 2.174 0.682 0.453 0.968 0.548 CB 1.376 32 residues pruned to eliminate duplicates Z: 27 17.244 2.181 0.681 0.340 0.769 0.500 CB 1.427 27 residues pruned to eliminate duplicates Z: 32 24.835 2.152 0.654 0.448 0.935 0.484 CB 1.413 32 residues pruned to eliminate duplicates Z: 29 19.849 2.102 0.661 0.321 0.893 0.536 CB 1.465 29 residues pruned to eliminate duplicates Z: 30 25.760 2.184 0.727 0.434 0.897 0.552 CB 1.515 30 residues pruned to eliminate duplicates Z: 19 19.923 2.094 0.789 0.392 0.889 0.500 CB 1.580 19 residues pruned to eliminate duplicates Z: 21 20.185 2.131 0.831 0.503 0.850 0.600 CB 1.356 21 residues pruned to eliminate duplicates Z: 16 13.768 2.116 0.679 0.349 0.933 0.533 CB 1.262 16 residues pruned to eliminate duplicates Z: 58 30.981 2.116 0.727 0.500 0.860 0.404 CB 1.307 58 residues pruned to eliminate duplicates Z: 29 24.227 2.157 0.734 0.411 0.857 0.429 CB 1.567 29 residues pruned to eliminate duplicates Z: 23 18.891 2.080 0.678 0.421 0.909 0.455 CB 1.379 23 residues pruned to eliminate duplicates Z: 24 17.428 2.188 0.648 0.320 0.913 0.348 CB 1.346 24 residues pruned to eliminate duplicates Z: 30 17.727 2.100 0.528 0.377 0.828 0.483 CB 1.414 30 residues pruned to eliminate duplicates Z: 31 23.057 2.176 0.665 0.375 0.900 0.433 CB 1.475 31 residues pruned to eliminate duplicates Z: 32 25.820 2.123 0.756 0.400 0.968 0.452 CB 1.428 32 residues pruned to eliminate duplicates Z: 23 19.723 2.111 0.815 0.453 0.864 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 76 46.186 2.168 0.766 0.564 0.880 0.507 CB 1.488 76 residues pruned to eliminate duplicates Z: 84 50.581 2.166 0.774 0.569 0.928 0.542 CB 1.457 84 residues pruned to eliminate duplicates Z: 8 5.136 1.511 0.534 0.199 1.000 0.429 O 1.199 5 residues pruned to eliminate duplicates Z: 10 9.504 1.842 0.609 0.506 0.778 0.333 CB 1.366 10 residues pruned to eliminate duplicates Z: 31 24.434 2.149 0.887 0.420 0.867 0.533 CB 1.379 31 residues pruned to eliminate duplicates Z: 23 13.039 1.758 0.583 0.445 0.818 0.455 CB 1.292 23 residues pruned to eliminate duplicates Z: 18 12.358 1.914 0.466 0.420 0.882 0.471 CA 1.316 18 residues pruned to eliminate duplicates Z: 33 14.007 1.792 0.376 0.382 0.875 0.469 CA 1.301 33 residues pruned to eliminate duplicates Z: 12 13.823 2.024 0.338 0.490 1.000 0.636 CA 1.555 12 residues pruned to eliminate duplicates Z: 33 18.973 1.925 0.490 0.472 0.844 0.594 CA 1.426 31 residues pruned to eliminate duplicates Z: 8 4.135 1.443 -0.015 0.420 1.000 0.429 C 1.194 8 residues pruned to eliminate duplicates Z: 12 12.392 1.955 0.290 0.501 1.000 0.455 CA 1.481 12 residues pruned to eliminate duplicates Z: 34 15.518 1.878 0.319 0.444 0.879 0.515 CA 1.314 34 residues pruned to eliminate duplicates Z: 32 16.093 1.899 0.368 0.461 0.871 0.710 CA 1.329 32 residues pruned to eliminate duplicates Z: 20 10.809 1.822 0.392 0.413 0.842 0.474 CA 1.272 20 residues pruned to eliminate duplicates Z: 32 18.817 1.877 0.473 0.513 0.903 0.516 CA 1.335 32 residues pruned to eliminate duplicates 6 1.247 1.537 0.916 0.458 0.800 0.600 CA 0.247 ? Z: 16 10.822 1.908 0.443 0.498 0.867 0.667 CA 1.173 16 residues pruned to eliminate duplicates Z: 34 18.173 1.853 0.514 0.399 0.909 0.424 CA 1.379 34 residues pruned to eliminate duplicates Z: 36 17.515 1.818 0.452 0.444 0.857 0.514 CA 1.386 36 residues pruned to eliminate duplicates Z: 33 17.452 1.928 0.335 0.456 0.875 0.531 CA 1.433 33 residues pruned to eliminate duplicates Z: 15 7.980 1.783 0.364 0.393 0.786 0.500 CA 1.249 15 residues pruned to eliminate duplicates Z: 11 10.085 1.974 0.474 0.463 0.800 0.700 CA 1.423 11 residues pruned to eliminate duplicates Z: 13 9.045 1.953 0.352 0.411 0.750 0.667 CA 1.447 13 residues pruned to eliminate duplicates Z: 14 10.017 1.944 0.271 0.451 0.846 0.615 CA 1.397 14 residues pruned to eliminate duplicates Z: 14 11.148 1.900 0.318 0.470 0.923 0.692 CA 1.379 14 residues pruned to eliminate duplicates Z: 11 11.529 1.987 0.308 0.548 0.900 0.600 CA 1.488 11 residues pruned to eliminate duplicates Z: 30 17.989 1.947 0.416 0.465 0.897 0.483 CA 1.400 31 residues pruned to eliminate duplicates Z: 8 3.895 1.423 0.728 0.355 0.857 0.571 CA 0.817 8 residues pruned to eliminate duplicates Z: 6 3.735 1.844 0.523 0.173 0.800 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 9 5.238 1.758 0.351 0.241 0.875 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 5.110 1.816 0.451 0.273 0.857 0.286 CB 1.106 8 residues pruned to eliminate duplicates Z: 11 9.888 1.823 0.494 0.291 1.000 0.400 N 1.452 8 residues pruned to eliminate duplicates Z: 8 2.412 1.772 0.140 0.295 0.571 0.286 CA 0.993 8 residues pruned to eliminate duplicates Z: 18 9.524 1.784 0.608 0.362 0.824 0.471 CB 1.134 20 residues pruned to eliminate duplicates Z: 8 5.997 1.563 0.966 0.417 0.714 0.571 CB 1.126 22 residues pruned to eliminate duplicates Z: 6 2.173 1.395 0.378 0.231 0.600 0.200 C 1.153 6 residues pruned to eliminate duplicates Z: 11 13.565 1.958 0.787 0.533 0.900 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 10 18.658 2.003 0.830 0.515 1.000 0.667 C 1.672 10 residues pruned to eliminate duplicates Z: 29 15.928 1.862 0.491 0.409 0.821 0.571 CB 1.453 29 residues pruned to eliminate duplicates Z: 37 19.434 1.984 0.354 0.433 0.889 0.639 CB 1.454 37 residues pruned to eliminate duplicates Z: 45 18.028 1.981 0.178 0.388 0.864 0.523 CB 1.518 45 residues pruned to eliminate duplicates Z: 15 10.319 1.933 0.255 0.317 0.857 0.429 CA 1.624 15 residues pruned to eliminate duplicates Z: 12 17.232 2.103 0.510 0.498 1.000 0.818 CB 1.640 12 residues pruned to eliminate duplicates Z: 25 15.625 1.981 0.334 0.489 0.917 0.667 CA 1.330 25 residues pruned to eliminate duplicates Z: 11 18.693 2.181 0.521 0.562 1.000 0.500 CB 1.679 11 residues pruned to eliminate duplicates Z: 53 21.256 1.953 0.260 0.435 0.846 0.558 CA 1.515 53 residues pruned to eliminate duplicates Z: 39 22.483 1.987 0.470 0.437 0.921 0.632 CB 1.447 39 residues pruned to eliminate duplicates Z: 101 38.124 2.035 0.462 0.473 0.900 0.570 CB 1.464 101 residues pruned to eliminate duplicates Z: 35 22.207 2.018 0.404 0.519 0.882 0.647 CA 1.496 38 residues pruned to eliminate duplicates Z: 6 3.660 1.572 0.420 0.457 0.800 0.400 O 0.958 Z: 24 16.749 2.003 0.247 0.549 0.957 0.652 CA 1.393 24 residues pruned to eliminate duplicates Z: 47 18.842 1.847 0.415 0.401 0.891 0.500 CB 1.324 47 residues pruned to eliminate duplicates Z: 25 16.601 1.984 0.488 0.479 0.875 0.625 CB 1.340 31 residues pruned to eliminate duplicates Z: 42 16.291 1.963 0.241 0.430 0.829 0.585 CB 1.354 42 residues pruned to eliminate duplicates Z: 43 18.257 1.902 0.317 0.434 0.881 0.500 CB 1.367 43 residues pruned to eliminate duplicates Z: 30 16.079 1.946 0.370 0.402 0.862 0.690 CA 1.440 30 residues pruned to eliminate duplicates Z: 12 8.381 1.882 0.508 0.504 0.909 0.727 CA 0.975 12 residues pruned to eliminate duplicates Z: 27 14.919 1.868 0.410 0.429 0.885 0.500 CA 1.352 27 residues pruned to eliminate duplicates Z: 27 15.958 2.020 0.318 0.442 0.846 0.654 CB 1.475 27 residues pruned to eliminate duplicates Z: 21 7.822 1.943 0.060 0.306 0.800 0.550 CB 1.317 21 residues pruned to eliminate duplicates Z: 49 20.327 1.958 0.394 0.377 0.875 0.604 CA 1.400 49 residues pruned to eliminate duplicates Z: 27 13.332 1.889 0.183 0.412 0.923 0.577 CB 1.389 27 residues pruned to eliminate duplicates Z: 26 9.749 1.826 0.290 0.304 0.920 0.520 CB 1.119 26 residues pruned to eliminate duplicates Z: 15 10.774 1.971 0.602 0.351 0.786 0.500 CA 1.363 15 residues pruned to eliminate duplicates Z: 22 10.119 1.905 0.247 0.290 0.857 0.524 CB 1.373 22 residues pruned to eliminate duplicates Z: 31 15.604 1.877 0.411 0.384 0.867 0.567 CA 1.404 31 residues pruned to eliminate duplicates Z: 22 14.818 1.857 0.395 0.380 0.905 0.524 CA 1.569 22 residues pruned to eliminate duplicates Z: 22 10.726 1.924 0.286 0.314 0.857 0.667 CB 1.356 22 residues pruned to eliminate duplicates Z: 18 7.522 1.808 0.341 0.253 0.824 0.529 CB 1.214 18 residues pruned to eliminate duplicates Z: 19 15.879 1.822 0.526 0.476 0.889 0.611 CA 1.551 19 residues pruned to eliminate duplicates Z: 10 5.878 1.922 -0.025 0.335 0.889 0.444 CB 1.409 10 residues pruned to eliminate duplicates Z: 24 10.884 1.894 0.335 0.324 0.826 0.522 CB 1.319 24 residues pruned to eliminate duplicates Z: 15 8.160 1.988 0.163 0.247 0.857 0.429 CB 1.474 15 residues pruned to eliminate duplicates Z: 22 9.725 1.902 0.432 0.261 0.857 0.619 CB 1.194 22 residues pruned to eliminate duplicates Z: 31 12.991 1.822 0.453 0.308 0.800 0.400 CB 1.387 31 residues pruned to eliminate duplicates Z: 38 15.022 1.920 0.253 0.333 0.865 0.378 CB 1.425 38 residues pruned to eliminate duplicates Z: 32 14.746 1.892 0.481 0.333 0.871 0.484 CA 1.303 32 residues pruned to eliminate duplicates Z: 15 11.006 1.668 0.532 0.440 0.929 0.571 CA 1.318 15 residues pruned to eliminate duplicates Z: 44 23.327 1.952 0.547 0.404 0.884 0.581 CA 1.475 44 residues pruned to eliminate duplicates Z: 20 13.132 1.869 0.353 0.411 0.895 0.421 CB 1.462 20 residues pruned to eliminate duplicates Z: 21 11.998 1.817 0.282 0.376 0.850 0.550 CA 1.548 21 residues pruned to eliminate duplicates Z: 38 18.230 1.958 0.438 0.359 0.865 0.432 CB 1.434 38 residues pruned to eliminate duplicates Z: 39 17.005 1.930 0.275 0.354 0.921 0.500 CB 1.426 39 residues pruned to eliminate duplicates Z: 21 8.097 1.839 0.340 0.247 0.750 0.300 CA 1.311 21 residues pruned to eliminate duplicates Z: 41 15.051 1.862 0.402 0.339 0.875 0.400 CB 1.242 41 residues pruned to eliminate duplicates Z: 18 12.817 1.947 0.337 0.315 0.941 0.412 CA 1.557 18 residues pruned to eliminate duplicates Z: 8 4.315 1.742 0.253 0.258 0.857 0.286 CA 1.150 8 residues pruned to eliminate duplicates Z: 26 14.554 1.886 0.414 0.369 0.920 0.480 CB 1.365 26 residues pruned to eliminate duplicates Z: 43 17.669 1.897 0.356 0.324 0.929 0.595 CB 1.385 43 residues pruned to eliminate duplicates Z: 30 11.137 1.852 0.327 0.308 0.862 0.379 CA 1.209 30 residues pruned to eliminate duplicates Z: 23 9.198 1.823 0.400 0.316 0.818 0.455 CA 1.151 23 residues pruned to eliminate duplicates Z: 25 12.293 1.862 0.379 0.334 0.917 0.500 CA 1.278 25 residues pruned to eliminate duplicates Z: 22 13.587 1.871 0.442 0.364 1.000 0.476 CB 1.271 22 residues pruned to eliminate duplicates Z: 22 11.322 1.847 0.281 0.361 0.905 0.476 CB 1.339 22 residues pruned to eliminate duplicates Z: 14 10.614 1.940 0.276 0.464 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 29 10.444 1.820 0.226 0.303 0.857 0.357 CB 1.285 29 residues pruned to eliminate duplicates Z: 21 10.104 1.869 0.328 0.351 0.900 0.550 CB 1.189 21 residues pruned to eliminate duplicates Z: 12 12.612 1.961 0.313 0.479 1.000 0.727 N 1.507 12 residues pruned to eliminate duplicates Z: 12 7.722 1.895 0.424 0.281 0.909 0.455 CA 1.215 12 residues pruned to eliminate duplicates Z: 19 12.325 1.940 0.407 0.307 1.000 0.556 CA 1.318 19 residues pruned to eliminate duplicates Z: 22 12.845 1.852 0.455 0.376 0.952 0.476 CB 1.247 22 residues pruned to eliminate duplicates Z: 11 10.319 2.080 0.430 0.383 0.900 0.700 CA 1.382 11 residues pruned to eliminate duplicates Z: 46 17.671 1.976 0.446 0.330 0.778 0.467 CA 1.427 46 residues pruned to eliminate duplicates Z: 25 13.971 1.950 0.322 0.377 0.917 0.542 CA 1.377 25 residues pruned to eliminate duplicates Z: 32 17.737 1.976 0.523 0.386 0.806 0.484 CA 1.482 32 residues pruned to eliminate duplicates Z: 29 17.048 2.030 0.574 0.392 0.786 0.571 CA 1.438 29 residues pruned to eliminate duplicates Z: 47 18.897 1.894 0.561 0.332 0.870 0.391 CB 1.303 47 residues pruned to eliminate duplicates Z: 42 17.478 1.948 0.414 0.357 0.854 0.415 CB 1.355 42 residues pruned to eliminate duplicates Z: 30 14.628 1.985 0.411 0.354 0.828 0.483 CA 1.372 30 residues pruned to eliminate duplicates Z: 21 7.719 1.878 0.464 0.261 0.700 0.450 CB 1.179 21 residues pruned to eliminate duplicates Z: 67 23.362 1.970 0.471 0.334 0.833 0.530 CA 1.428 67 residues pruned to eliminate duplicates Z: 26 14.570 1.994 0.485 0.369 0.800 0.560 CB 1.416 26 residues pruned to eliminate duplicates Z: 13 10.166 2.103 0.511 0.389 0.750 0.417 CB 1.384 13 residues pruned to eliminate duplicates Z: 17 10.694 1.976 0.435 0.387 0.812 0.562 CB 1.308 17 residues pruned to eliminate duplicates Z: 15 9.654 2.017 0.445 0.360 0.643 0.429 CB 1.601 15 residues pruned to eliminate duplicates Z: 12 10.420 2.096 0.454 0.421 0.818 0.545 CB 1.368 12 residues pruned to eliminate duplicates Z: 14 9.700 2.029 0.308 0.298 0.846 0.538 CB 1.503 14 residues pruned to eliminate duplicates Z: 43 31.183 2.098 0.442 0.533 0.929 0.571 CB 1.658 43 residues pruned to eliminate duplicates Z: 48 25.305 2.055 0.349 0.490 0.851 0.532 CA 1.579 48 residues pruned to eliminate duplicates Z: 23 9.235 2.019 0.248 0.254 0.773 0.273 CB 1.341 23 residues pruned to eliminate duplicates Z: 64 27.775 1.990 0.466 0.454 0.810 0.492 CA 1.553 64 residues pruned to eliminate duplicates Z: 46 27.407 2.027 0.394 0.520 0.867 0.578 CB 1.635 46 residues pruned to eliminate duplicates Z: 8 5.799 1.859 0.341 0.416 0.714 0.286 CB 1.345 8 residues pruned to eliminate duplicates Z: 10 10.874 2.006 0.578 0.421 0.778 0.444 N 1.598 10 residues pruned to eliminate duplicates Z: 31 27.997 2.082 0.556 0.582 0.867 0.567 CA 1.683 31 residues pruned to eliminate duplicates Z: 42 31.034 2.053 0.465 0.525 0.927 0.512 CB 1.696 42 residues pruned to eliminate duplicates Z: 45 18.893 1.933 0.439 0.295 0.841 0.477 CB 1.531 45 residues pruned to eliminate duplicates Z: 47 26.106 2.076 0.380 0.510 0.848 0.543 CB 1.570 47 residues pruned to eliminate duplicates Z: 57 25.847 2.023 0.384 0.464 0.839 0.607 CB 1.525 57 residues pruned to eliminate duplicates Z: 51 27.117 2.095 0.462 0.440 0.900 0.520 CB 1.481 51 residues pruned to eliminate duplicates Z: 26 25.578 2.143 0.344 0.615 0.920 0.760 CA 1.731 26 residues pruned to eliminate duplicates Z: 29 24.503 2.056 0.502 0.523 0.857 0.607 CB 1.710 29 residues pruned to eliminate duplicates Z: 36 22.534 1.966 0.379 0.532 0.857 0.600 CA 1.589 36 residues pruned to eliminate duplicates Z: 61 30.599 2.037 0.435 0.479 0.867 0.533 CA 1.593 61 residues pruned to eliminate duplicates Z: 31 26.798 2.115 0.424 0.591 0.867 0.567 CB 1.718 31 residues pruned to eliminate duplicates Z: 21 18.975 2.040 0.394 0.685 0.950 0.750 CB 1.326 21 residues pruned to eliminate duplicates Z: 32 25.026 2.066 0.372 0.602 0.871 0.613 CB 1.653 32 residues pruned to eliminate duplicates Z: 51 27.650 2.061 0.515 0.464 0.880 0.500 CB 1.476 51 residues pruned to eliminate duplicates Z: 33 25.679 2.109 0.521 0.548 0.844 0.562 CB 1.601 33 residues pruned to eliminate duplicates Z: 30 30.414 2.140 0.463 0.655 0.897 0.655 CB 1.742 30 residues pruned to eliminate duplicates Z: 35 20.140 1.864 0.539 0.518 0.853 0.500 CB 1.385 35 residues pruned to eliminate duplicates Z: 31 27.304 2.059 0.603 0.617 0.833 0.533 CA 1.623 31 residues pruned to eliminate duplicates Z: 49 33.096 2.150 0.568 0.505 0.896 0.562 CB 1.573 32 residues pruned to eliminate duplicates Z: 17 25.461 2.114 0.764 0.858 1.000 0.688 CB 1.257 14 residues pruned to eliminate duplicates Z: 14 22.604 2.232 0.575 0.920 1.000 0.692 CB 1.256 14 residues pruned to eliminate duplicates Z: 66 35.831 2.129 0.482 0.495 0.892 0.446 CB 1.586 35 residues pruned to eliminate duplicates Z: 18 20.738 2.064 0.541 0.849 0.941 0.706 CB 1.246 18 residues pruned to eliminate duplicates Z: 21 22.539 2.048 0.769 0.676 0.800 0.450 CB 1.478 21 residues pruned to eliminate duplicates Z: 53 28.105 2.005 0.535 0.464 0.904 0.500 CB 1.453 53 residues pruned to eliminate duplicates Z: 65 37.607 2.086 0.555 0.525 0.922 0.547 CB 1.534 65 residues pruned to eliminate duplicates Z: 39 31.849 2.043 0.634 0.563 0.868 0.526 CB 1.675 39 residues pruned to eliminate duplicates Z: 34 24.636 2.170 0.477 0.464 0.879 0.606 CB 1.579 34 residues pruned to eliminate duplicates Z: 6 7.369 1.960 0.250 0.587 0.800 0.400 CA 1.547 6 residues pruned to eliminate duplicates Z: 35 27.815 2.150 0.551 0.470 0.941 0.529 CB 1.567 35 residues pruned to eliminate duplicates Z: 10 7.287 1.818 0.466 0.660 0.667 0.333 CB 1.179 Z: 33 22.877 2.110 0.521 0.477 0.875 0.562 CB 1.473 33 residues pruned to eliminate duplicates Z: 32 27.072 2.130 0.646 0.504 0.903 0.548 CB 1.530 32 residues pruned to eliminate duplicates Z: 32 25.442 2.199 0.555 0.514 0.871 0.613 CB 1.514 32 residues pruned to eliminate duplicates Z: 61 35.470 2.095 0.607 0.503 0.917 0.417 CB 1.480 71 residues pruned to eliminate duplicates Z: 6 5.798 1.668 1.005 0.443 1.000 0.400 CA 0.822 6 residues pruned to eliminate duplicates Z: 46 29.979 2.102 0.658 0.518 0.844 0.444 CB 1.492 46 residues pruned to eliminate duplicates Z: 72 32.036 2.079 0.608 0.445 0.803 0.479 CB 1.500 72 residues pruned to eliminate duplicates Z: 6 7.602 2.000 0.765 0.317 1.000 0.000 CB 1.178 6 residues pruned to eliminate duplicates Z: 34 25.886 2.128 0.591 0.446 0.909 0.545 CB 1.548 34 residues pruned to eliminate duplicates Z: 29 17.768 2.123 0.426 0.350 0.893 0.464 CB 1.461 29 residues pruned to eliminate duplicates Z: 29 22.275 2.141 0.585 0.426 0.893 0.500 CB 1.501 29 residues pruned to eliminate duplicates Z: 35 26.140 2.115 0.533 0.449 0.971 0.441 CB 1.501 35 residues pruned to eliminate duplicates Z: 27 23.277 2.180 0.634 0.428 0.923 0.462 CB 1.495 26 residues pruned to eliminate duplicates Z: 6 3.770 1.705 0.584 0.358 0.800 0.200 CA 0.910 6 residues pruned to eliminate duplicates Z: 57 37.527 2.139 0.694 0.485 0.875 0.500 CB 1.606 57 residues pruned to eliminate duplicates Z: 16 12.002 2.189 0.507 0.378 0.733 0.667 CB 1.459 16 residues pruned to eliminate duplicates Z: 20 20.064 2.217 0.422 0.564 0.895 0.632 CB 1.535 20 residues pruned to eliminate duplicates Z: 31 20.315 2.117 0.581 0.361 0.900 0.533 CB 1.431 31 residues pruned to eliminate duplicates Z: 27 21.710 2.169 0.687 0.325 0.923 0.462 CB 1.528 27 residues pruned to eliminate duplicates Z: 30 26.917 2.214 0.636 0.447 0.931 0.517 CB 1.565 30 residues pruned to eliminate duplicates Z: 32 26.239 2.179 0.681 0.420 0.935 0.516 CB 1.495 33 residues pruned to eliminate duplicates Z: 9 13.920 1.885 0.564 0.853 1.000 0.625 CA 1.233 9 residues pruned to eliminate duplicates Z: 13 17.073 2.089 0.553 0.698 0.917 0.750 CB 1.384 13 residues pruned to eliminate duplicates Z: 13 15.213 2.028 0.653 0.607 0.917 0.667 CB 1.291 13 residues pruned to eliminate duplicates Z: 10 14.266 1.994 0.548 0.601 1.000 0.889 CB 1.400 10 residues pruned to eliminate duplicates Z: 13 19.299 2.082 0.720 0.696 0.833 0.500 CB 1.561 13 residues pruned to eliminate duplicates Z: 7 13.852 2.005 0.723 0.871 0.833 0.333 CA 1.433 7 residues pruned to eliminate duplicates Z: 10 14.967 1.762 0.864 0.814 0.889 0.333 CA 1.301 10 residues pruned to eliminate duplicates Z: 15 11.905 2.059 0.479 0.408 0.857 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 8 6.262 1.876 0.633 0.582 0.714 0.429 CB 1.000 6 residues pruned to eliminate duplicates Z: 6 4.928 1.588 0.904 0.246 0.800 0.600 C 1.220 6 residues pruned to eliminate duplicates Z: 15 12.689 1.998 0.701 0.381 0.786 0.500 CA 1.441 15 residues pruned to eliminate duplicates Z: 17 14.060 1.997 0.766 0.430 0.875 0.500 CB 1.225 17 residues pruned to eliminate duplicates Z: 6 4.328 1.919 0.460 0.362 1.000 0.600 CA 0.802 6 residues pruned to eliminate duplicates Z: 15 10.845 2.140 0.778 0.324 0.714 0.571 CB 1.295 15 residues pruned to eliminate duplicates Z: 14 13.784 1.731 0.851 0.653 0.923 0.538 CB 1.121 14 residues pruned to eliminate duplicates Z: 13 9.731 1.918 0.602 0.563 1.000 0.750 CB 0.860 13 residues pruned to eliminate duplicates Z: 13 10.033 1.779 0.916 0.406 0.833 0.583 CB 1.126 13 residues pruned to eliminate duplicates Z: 57 32.642 2.009 0.745 0.511 0.946 0.625 CB 1.301 57 residues pruned to eliminate duplicates Z: 27 21.013 1.928 0.916 0.400 0.923 0.538 CB 1.343 27 residues pruned to eliminate duplicates Z: 55 35.243 2.045 0.734 0.531 0.926 0.574 CB 1.417 55 residues pruned to eliminate duplicates Z: 43 28.139 2.066 0.639 0.456 0.905 0.571 CA 1.482 43 residues pruned to eliminate duplicates Z: 44 28.676 2.083 0.778 0.437 0.884 0.628 CB 1.425 44 residues pruned to eliminate duplicates Z: 23 14.536 1.983 0.678 0.285 0.818 0.500 CB 1.451 23 residues pruned to eliminate duplicates Z: 20 14.513 2.101 0.491 0.354 0.842 0.526 CA 1.479 20 residues pruned to eliminate duplicates Z: 58 29.644 2.028 0.597 0.484 0.877 0.579 CA 1.404 58 residues pruned to eliminate duplicates Z: 48 29.546 2.035 0.798 0.501 0.894 0.574 CB 1.316 48 residues pruned to eliminate duplicates Z: 62 36.071 2.033 0.673 0.610 0.885 0.672 CB 1.381 16 residues pruned to eliminate duplicates Z: 6 6.486 1.626 0.692 0.460 0.800 0.600 CB 1.374 Z: 6 7.773 1.694 0.941 0.489 1.000 1.000 CA 1.070 Z: 18 13.311 1.878 0.722 0.437 0.824 0.529 CA 1.293 18 residues pruned to eliminate duplicates Z: 64 34.902 1.972 0.697 0.549 0.889 0.524 CB 1.409 53 residues pruned to eliminate duplicates Z: 6 3.536 1.711 0.379 0.394 0.600 0.400 N 1.248 6 residues pruned to eliminate duplicates Z: 28 28.067 2.054 0.601 0.699 0.963 0.741 CB 1.423 28 residues pruned to eliminate duplicates Z: 15 9.728 1.848 0.278 0.416 0.857 0.643 CB 1.402 15 residues pruned to eliminate duplicates Z: 54 27.852 2.034 0.614 0.443 0.906 0.509 CB 1.365 54 residues pruned to eliminate duplicates Z: 51 31.094 2.026 0.694 0.521 0.880 0.540 CB 1.426 51 residues pruned to eliminate duplicates Z: 44 29.426 1.973 0.546 0.685 0.907 0.651 CB 1.369 44 residues pruned to eliminate duplicates Z: 19 14.801 2.029 0.605 0.534 0.833 0.667 CB 1.244 19 residues pruned to eliminate duplicates Z: 64 31.588 1.936 0.698 0.545 0.873 0.667 CB 1.327 64 residues pruned to eliminate duplicates Z: 26 27.532 2.076 0.594 0.701 0.960 0.720 CB 1.443 26 residues pruned to eliminate duplicates Z: 35 23.164 1.981 0.488 0.587 0.882 0.471 CB 1.405 35 residues pruned to eliminate duplicates Z: 46 28.604 2.055 0.682 0.477 0.844 0.400 CB 1.494 46 residues pruned to eliminate duplicates Z: 28 23.210 2.008 0.575 0.673 0.926 0.519 CB 1.301 28 residues pruned to eliminate duplicates Z: 37 24.576 1.990 0.596 0.575 0.833 0.528 CB 1.440 37 residues pruned to eliminate duplicates Z: 25 27.492 2.018 0.746 0.687 0.917 0.583 CB 1.464 25 residues pruned to eliminate duplicates Z: 28 25.975 1.993 0.795 0.635 0.926 0.593 CA 1.329 28 residues pruned to eliminate duplicates Z: 62 37.372 1.982 0.704 0.572 0.934 0.557 CB 1.415 62 residues pruned to eliminate duplicates Z: 54 33.801 1.935 0.667 0.649 0.943 0.660 CB 1.328 54 residues pruned to eliminate duplicates Z: 30 29.486 2.059 0.733 0.728 0.897 0.621 CB 1.394 30 residues pruned to eliminate duplicates Z: 35 23.675 2.003 0.538 0.609 0.853 0.529 CB 1.393 35 residues pruned to eliminate duplicates Z: 61 27.097 1.943 0.613 0.499 0.883 0.517 CB 1.265 61 residues pruned to eliminate duplicates Z: 38 23.169 1.956 0.709 0.577 0.838 0.541 CB 1.263 38 residues pruned to eliminate duplicates Z: 45 27.677 1.964 0.620 0.669 0.864 0.614 CB 1.299 32 residues pruned to eliminate duplicates Z: 12 13.838 1.861 0.911 0.763 0.727 0.545 CB 1.277 12 residues pruned to eliminate duplicates Z: 32 30.893 2.046 0.798 0.683 0.968 0.548 CB 1.317 32 residues pruned to eliminate duplicates Z: 18 13.179 1.735 0.858 0.523 0.824 0.529 CB 1.177 18 residues pruned to eliminate duplicates Z: 7 5.753 1.896 0.388 0.183 0.833 0.333 CA 1.568 7 residues pruned to eliminate duplicates Z: 62 32.088 2.009 0.647 0.480 0.934 0.492 CB 1.356 62 residues pruned to eliminate duplicates Z: 42 29.357 1.974 0.686 0.635 0.902 0.732 CB 1.345 42 residues pruned to eliminate duplicates Z: 22 16.395 1.774 0.729 0.651 0.952 0.667 CB 1.064 15 residues pruned to eliminate duplicates Z: 24 13.184 1.762 0.303 0.680 0.913 0.696 CB 1.110 24 residues pruned to eliminate duplicates Z: 11 13.977 1.774 0.446 0.894 1.000 0.500 CB 1.236 11 residues pruned to eliminate duplicates Z: 11 15.009 1.824 0.480 0.888 1.000 0.700 CA 1.267 11 residues pruned to eliminate duplicates Z: 11 13.639 1.844 0.436 0.862 1.000 0.900 CB 1.196 11 residues pruned to eliminate duplicates Z: 12 13.091 1.894 0.547 0.716 0.909 0.727 CB 1.219 12 residues pruned to eliminate duplicates Z: 47 30.799 1.976 0.661 0.655 0.913 0.630 CB 1.312 47 residues pruned to eliminate duplicates Z: 15 23.835 1.917 0.861 0.762 1.000 0.714 CB 1.415 15 residues pruned to eliminate duplicates Z: 33 16.376 1.937 0.287 0.451 0.969 0.594 CB 1.260 33 residues pruned to eliminate duplicates Z: 30 17.880 1.979 0.329 0.440 0.966 0.586 CB 1.391 30 residues pruned to eliminate duplicates Z: 29 16.908 1.973 0.357 0.436 0.964 0.607 CB 1.322 29 residues pruned to eliminate duplicates Z: 31 18.542 1.964 0.362 0.445 1.000 0.700 CB 1.339 31 residues pruned to eliminate duplicates Z: 30 15.858 1.969 0.328 0.453 0.966 0.655 CB 1.224 30 residues pruned to eliminate duplicates Z: 30 17.873 1.952 0.406 0.446 0.931 0.724 CB 1.372 30 residues pruned to eliminate duplicates Z: 31 17.113 1.945 0.376 0.446 0.933 0.600 CB 1.322 31 residues pruned to eliminate duplicates Z: 31 16.953 1.969 0.399 0.448 0.900 0.500 CB 1.317 31 residues pruned to eliminate duplicates Z: 30 17.809 1.944 0.436 0.420 0.966 0.379 CB 1.334 30 residues pruned to eliminate duplicates Z: 20 11.736 1.910 0.317 0.298 1.000 0.526 CB 1.342 20 residues pruned to eliminate duplicates Z: 34 16.776 1.910 0.294 0.397 0.970 0.424 CB 1.358 34 residues pruned to eliminate duplicates Z: 30 17.224 1.981 0.349 0.439 0.966 0.621 CB 1.320 30 residues pruned to eliminate duplicates Z: 24 13.868 1.982 0.385 0.422 0.870 0.522 CB 1.314 24 residues pruned to eliminate duplicates Z: 30 16.281 1.943 0.464 0.430 0.862 0.655 CB 1.327 30 residues pruned to eliminate duplicates Z: 30 17.158 1.969 0.333 0.442 0.931 0.621 CB 1.383 30 residues pruned to eliminate duplicates Z: 25 13.715 1.934 0.322 0.426 0.958 0.542 CB 1.234 25 residues pruned to eliminate duplicates Z: 29 16.120 1.978 0.326 0.434 0.929 0.607 CB 1.339 29 residues pruned to eliminate duplicates Z: 30 16.518 1.970 0.291 0.425 1.000 0.552 CB 1.304 30 residues pruned to eliminate duplicates Z: 28 15.511 2.000 0.262 0.406 0.963 0.481 CB 1.356 28 residues pruned to eliminate duplicates Z: 29 15.904 1.956 0.345 0.441 0.964 0.679 CB 1.260 29 residues pruned to eliminate duplicates Z: 30 15.678 1.957 0.277 0.434 0.897 0.621 CB 1.391 30 residues pruned to eliminate duplicates Z: 30 15.650 1.959 0.352 0.402 0.897 0.552 CB 1.356 30 residues pruned to eliminate duplicates Z: 19 12.944 1.885 0.431 0.536 0.889 0.611 CA 1.228 19 residues pruned to eliminate duplicates Z: 30 18.329 1.949 0.503 0.415 0.931 0.621 CB 1.364 30 residues pruned to eliminate duplicates Z: 31 18.621 1.978 0.302 0.442 1.000 0.500 CB 1.403 31 residues pruned to eliminate duplicates Z: 57 17.795 1.905 0.227 0.369 0.839 0.500 CA 1.395 51 residues pruned to eliminate duplicates Z: 9 5.299 1.449 0.205 0.529 0.875 0.250 CA 1.191 9 residues pruned to eliminate duplicates Z: 19 11.108 1.905 0.284 0.359 0.778 0.444 CA 1.602 19 residues pruned to eliminate duplicates Z: 18 10.431 1.947 0.177 0.396 0.882 0.471 CA 1.395 18 residues pruned to eliminate duplicates Z: 49 19.843 1.933 0.308 0.381 0.917 0.521 CA 1.404 49 residues pruned to eliminate duplicates Z: 23 9.684 1.868 0.252 0.336 0.773 0.364 CA 1.367 23 residues pruned to eliminate duplicates Z: 15 9.466 1.907 0.149 0.436 0.857 0.500 N 1.440 15 residues pruned to eliminate duplicates Z: 21 9.309 1.881 0.076 0.325 0.850 0.500 CA 1.467 21 residues pruned to eliminate duplicates Z: 17 12.294 1.990 0.181 0.412 0.938 0.500 CA 1.529 17 residues pruned to eliminate duplicates Z: 24 11.476 1.902 0.145 0.345 0.870 0.348 CA 1.495 24 residues pruned to eliminate duplicates Z: 18 9.853 1.950 0.264 0.378 0.824 0.529 CA 1.342 18 residues pruned to eliminate duplicates Z: 18 9.798 1.918 0.163 0.349 0.882 0.529 CA 1.421 18 residues pruned to eliminate duplicates Z: 18 10.174 1.988 0.244 0.376 0.824 0.529 CA 1.383 18 residues pruned to eliminate duplicates Z: 24 12.285 1.927 0.143 0.364 0.913 0.522 CA 1.475 25 residues pruned to eliminate duplicates 726 residues left after pruning, divided into chains as follows: A: 8 B: 8 C: 12 D: 20 E: 10 F: 8 G: 26 H: 7 I: 38 J: 108 K: 147 L: 28 M: 18 N: 145 O: 7 P: 17 Q: 63 R: 56 CC for partial structure against native data = 26.32 % ------------------------------------------------------------------------------ Global autotracing cycle 19 = 0.300, Contrast = 0.382, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.439, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.519, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.527, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.537, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.543, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.548, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.551, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6696 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1292 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 14.283 1.880 0.467 0.388 0.767 0.533 CB 1.389 B: 56 19.847 1.919 0.421 0.368 0.873 0.509 CB 1.296 31 residues pruned to eliminate duplicates C: 63 23.806 1.928 0.366 0.407 0.919 0.581 CB 1.376 D: 30 19.441 1.978 0.446 0.460 0.862 0.483 CB 1.525 28 residues pruned to eliminate duplicates E: 15 23.643 2.211 0.496 0.892 1.000 0.643 CB 1.372 F: 22 36.476 2.169 0.755 0.932 1.000 0.810 CB 1.460 G: 20 26.327 2.042 0.538 0.838 0.947 0.632 CB 1.518 H: 6 7.635 1.921 0.027 0.857 0.800 0.600 CA 1.594 I: 6 6.808 1.869 0.109 0.799 0.800 0.600 CA 1.413 7 residues pruned to eliminate duplicates J: 17 24.361 2.006 0.676 0.878 0.875 0.500 CA 1.503 17 residues pruned to eliminate duplicates K: 35 22.313 2.019 0.631 0.415 0.882 0.529 CB 1.440 6 residues pruned to eliminate duplicates L: 19 34.645 2.292 0.617 0.876 1.000 0.833 CB 1.601 19 residues pruned to eliminate duplicates M: 10 8.477 1.979 0.278 0.567 0.778 0.556 CB 1.347 N: 16 21.438 2.030 0.631 0.857 0.867 0.533 CA 1.421 16 residues pruned to eliminate duplicates O: 16 23.733 2.046 0.594 0.846 0.867 0.533 CA 1.611 16 residues pruned to eliminate duplicates P: 18 30.098 2.262 0.429 0.875 1.000 0.882 CB 1.643 18 residues pruned to eliminate duplicates Q: 37 21.597 1.986 0.471 0.457 0.917 0.500 CB 1.405 37 residues pruned to eliminate duplicates R: 20 22.349 2.057 0.366 0.907 0.947 0.842 CB 1.369 S: 19 17.701 1.784 0.358 0.861 0.944 0.889 CA 1.340 19 residues pruned to eliminate duplicates T: 20 25.600 1.943 0.535 0.918 0.947 0.842 CA 1.466 20 residues pruned to eliminate duplicates U: 12 13.435 1.864 0.492 0.892 1.000 0.909 CB 1.047 V: 30 16.707 1.972 0.269 0.446 0.966 0.586 CB 1.357 W: 11 13.497 1.973 0.475 0.778 0.800 0.700 CB 1.434 12 residues pruned to eliminate duplicates X: 31 25.427 2.162 0.853 0.435 0.833 0.567 CB 1.487 Y: 32 22.464 2.120 0.653 0.400 0.871 0.548 CB 1.468 32 residues pruned to eliminate duplicates Z: 20 17.184 2.098 0.493 0.530 0.895 0.632 CB 1.366 Z: 21 32.437 2.164 0.691 0.853 0.950 0.650 CB 1.542 21 residues pruned to eliminate duplicates Z: 15 10.909 1.957 0.370 0.427 0.857 0.500 CA 1.369 11 residues pruned to eliminate duplicates Z: 32 21.334 2.144 0.550 0.390 0.903 0.484 CB 1.435 32 residues pruned to eliminate duplicates Z: 9 8.733 1.813 0.626 0.737 0.750 0.375 CB 1.128 9 residues pruned to eliminate duplicates Z: 20 18.597 2.035 0.625 0.585 0.895 0.474 CB 1.329 11 residues pruned to eliminate duplicates Z: 10 8.794 1.475 0.497 0.884 1.000 0.889 CA 0.959 7 residues pruned to eliminate duplicates Z: 16 27.202 2.173 0.640 0.901 1.000 0.733 CB 1.407 14 residues pruned to eliminate duplicates Z: 21 34.846 2.215 0.677 0.882 1.000 0.550 CB 1.517 22 residues pruned to eliminate duplicates Z: 16 16.032 2.113 0.289 0.886 0.867 0.533 CB 1.265 16 residues pruned to eliminate duplicates Z: 47 20.365 1.972 0.445 0.334 0.848 0.457 CA 1.490 20 residues pruned to eliminate duplicates Z: 21 40.129 2.191 0.929 0.913 1.000 0.700 CB 1.503 21 residues pruned to eliminate duplicates Z: 21 26.801 2.033 0.464 0.888 1.000 0.750 CB 1.450 19 residues pruned to eliminate duplicates Z: 22 33.451 2.167 0.623 0.918 1.000 1.000 CB 1.463 22 residues pruned to eliminate duplicates Z: 18 11.392 1.951 0.263 0.431 0.824 0.529 CB 1.462 18 residues pruned to eliminate duplicates Z: 14 9.497 1.897 0.278 0.427 0.923 0.462 CA 1.270 14 residues pruned to eliminate duplicates Z: 63 40.410 2.003 0.728 0.612 0.919 0.581 CA 1.451 22 residues pruned to eliminate duplicates Z: 9 13.527 1.766 0.483 0.854 1.000 0.625 CA 1.348 9 residues pruned to eliminate duplicates Z: 111 39.794 2.004 0.531 0.433 0.918 0.482 CB 1.444 112 residues pruned to eliminate duplicates Z: 12 13.661 2.033 0.211 0.852 0.909 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 39 21.739 1.981 0.452 0.456 0.921 0.605 CA 1.391 24 residues pruned to eliminate duplicates Z: 22 30.991 1.964 0.683 0.893 1.000 0.667 CB 1.470 22 residues pruned to eliminate duplicates Z: 17 21.436 2.121 0.200 0.882 1.000 0.875 CB 1.524 17 residues pruned to eliminate duplicates Z: 15 23.345 2.178 0.462 0.888 1.000 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 21 26.630 2.030 0.449 0.911 0.950 0.750 CB 1.510 21 residues pruned to eliminate duplicates Z: 52 35.660 1.939 0.763 0.650 0.980 0.667 CB 1.296 38 residues pruned to eliminate duplicates Z: 12 10.235 2.074 0.310 0.437 0.909 0.545 CB 1.333 Z: 21 9.876 1.701 0.340 0.430 0.900 0.450 CB 1.158 Z: 11 9.807 2.012 0.617 0.371 0.900 0.600 CB 1.215 8 residues pruned to eliminate duplicates Z: 79 36.648 2.041 0.509 0.514 0.897 0.551 CA 1.481 40 residues pruned to eliminate duplicates Z: 54 32.980 1.996 0.751 0.517 0.887 0.434 CB 1.437 54 residues pruned to eliminate duplicates Z: 14 15.165 1.898 0.365 0.772 1.000 0.692 CB 1.276 Z: 22 30.976 2.139 0.844 0.896 0.857 0.619 CB 1.432 22 residues pruned to eliminate duplicates Z: 21 14.872 1.910 0.488 0.540 0.900 0.500 CB 1.250 21 residues pruned to eliminate duplicates Z: 15 8.821 1.975 0.196 0.441 0.929 0.500 CB 1.142 11 residues pruned to eliminate duplicates Z: 9 14.852 1.948 0.372 0.873 1.000 0.750 CA 1.431 9 residues pruned to eliminate duplicates Z: 12 9.475 1.930 0.257 0.428 0.909 0.364 CB 1.395 12 residues pruned to eliminate duplicates Z: 24 14.081 2.009 0.353 0.392 0.870 0.652 CA 1.392 24 residues pruned to eliminate duplicates Z: 21 39.597 2.201 0.932 0.921 1.000 0.750 CB 1.466 22 residues pruned to eliminate duplicates Z: 9 11.275 1.829 0.271 0.830 0.875 0.625 N 1.474 12 residues pruned to eliminate duplicates Z: 17 16.826 2.110 0.020 0.907 1.000 0.812 CB 1.388 17 residues pruned to eliminate duplicates Z: 12 8.024 2.073 0.205 0.450 0.909 0.636 CB 1.121 12 residues pruned to eliminate duplicates Z: 14 11.332 1.892 0.421 0.455 0.846 0.462 CB 1.447 15 residues pruned to eliminate duplicates Z: 12 15.885 2.005 0.437 0.766 1.000 0.545 CB 1.314 12 residues pruned to eliminate duplicates Z: 19 23.061 1.985 0.424 0.897 0.944 0.611 CB 1.457 19 residues pruned to eliminate duplicates Z: 21 14.634 2.122 0.566 0.322 0.850 0.500 CA 1.409 21 residues pruned to eliminate duplicates Z: 9 5.715 1.889 0.309 0.331 0.750 0.250 CB 1.311 9 residues pruned to eliminate duplicates Z: 9 9.837 1.853 0.686 0.819 0.750 0.500 CA 1.126 9 residues pruned to eliminate duplicates Z: 17 22.542 2.033 0.330 0.864 0.938 0.750 CA 1.630 17 residues pruned to eliminate duplicates Z: 27 12.082 1.897 0.319 0.363 0.808 0.423 CA 1.359 27 residues pruned to eliminate duplicates Z: 22 28.883 2.112 0.526 0.893 1.000 0.810 CB 1.403 21 residues pruned to eliminate duplicates Z: 16 22.243 2.170 0.347 0.905 1.000 0.800 CB 1.399 16 residues pruned to eliminate duplicates Z: 32 25.561 2.158 0.493 0.458 0.968 0.548 CA 1.537 32 residues pruned to eliminate duplicates Z: 30 18.878 2.110 0.514 0.414 0.862 0.483 CB 1.393 30 residues pruned to eliminate duplicates Z: 22 12.817 1.878 0.245 0.378 1.000 0.571 CB 1.363 22 residues pruned to eliminate duplicates Z: 27 13.778 1.974 0.360 0.395 0.769 0.462 CB 1.461 27 residues pruned to eliminate duplicates Z: 14 8.345 1.851 0.328 0.355 0.846 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 15 26.074 2.102 0.807 0.905 0.929 0.714 CA 1.407 15 residues pruned to eliminate duplicates Z: 14 14.978 1.948 0.427 0.738 0.923 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 23 16.153 1.923 0.500 0.482 0.864 0.636 CB 1.408 23 residues pruned to eliminate duplicates Z: 37 20.021 2.005 0.354 0.497 0.889 0.611 CA 1.387 37 residues pruned to eliminate duplicates Z: 21 37.026 2.239 0.668 0.908 1.000 0.850 CB 1.574 22 residues pruned to eliminate duplicates Z: 36 22.971 1.892 0.711 0.475 0.829 0.400 CA 1.484 36 residues pruned to eliminate duplicates Z: 78 32.742 2.015 0.527 0.468 0.883 0.506 CA 1.419 78 residues pruned to eliminate duplicates Z: 35 24.227 1.974 0.271 0.591 0.912 0.559 CA 1.665 35 residues pruned to eliminate duplicates Z: 12 11.382 2.018 0.415 0.830 0.818 0.727 CB 1.104 12 residues pruned to eliminate duplicates Z: 31 17.046 1.948 0.379 0.445 0.867 0.567 CA 1.414 31 residues pruned to eliminate duplicates Z: 15 9.761 1.928 0.222 0.372 1.000 0.786 CB 1.269 15 residues pruned to eliminate duplicates Z: 10 10.318 1.770 0.346 0.777 0.889 0.778 CA 1.272 10 residues pruned to eliminate duplicates Z: 22 12.229 1.943 0.472 0.368 0.762 0.619 CB 1.411 24 residues pruned to eliminate duplicates Z: 20 14.308 1.950 0.498 0.424 0.789 0.632 CA 1.541 20 residues pruned to eliminate duplicates Z: 12 11.586 1.950 0.228 0.536 1.000 0.636 CA 1.409 Z: 23 16.378 2.047 0.486 0.463 0.773 0.636 CB 1.542 12 residues pruned to eliminate duplicates Z: 13 13.348 1.924 0.428 0.740 0.917 0.667 CA 1.234 13 residues pruned to eliminate duplicates Z: 7 3.964 1.812 0.436 0.319 0.667 0.333 N 1.139 7 residues pruned to eliminate duplicates Z: 15 16.935 2.074 0.834 0.837 0.714 0.357 CB 1.246 15 residues pruned to eliminate duplicates Z: 21 23.697 1.956 0.395 0.877 1.000 0.900 CB 1.411 21 residues pruned to eliminate duplicates Z: 11 18.656 2.117 0.697 0.879 1.000 0.800 CB 1.191 11 residues pruned to eliminate duplicates Z: 22 12.274 1.954 0.275 0.424 0.810 0.524 CA 1.437 22 residues pruned to eliminate duplicates Z: 13 23.587 2.261 0.616 0.914 1.000 0.500 CB 1.318 13 residues pruned to eliminate duplicates Z: 22 40.257 2.159 0.874 0.909 1.000 0.810 CB 1.541 22 residues pruned to eliminate duplicates Z: 17 27.224 1.981 0.915 0.879 0.938 0.688 CA 1.388 17 residues pruned to eliminate duplicates Z: 19 20.520 1.976 0.398 0.890 0.944 0.944 CB 1.333 19 residues pruned to eliminate duplicates Z: 12 10.061 1.816 0.666 0.452 0.818 0.455 CB 1.287 11 residues pruned to eliminate duplicates Z: 30 17.016 2.082 0.634 0.321 0.828 0.483 CB 1.366 30 residues pruned to eliminate duplicates Z: 18 11.922 1.976 0.651 0.348 0.765 0.412 CA 1.367 18 residues pruned to eliminate duplicates Z: 11 7.433 1.890 0.223 0.429 0.800 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 10 7.319 2.069 0.100 0.402 0.778 0.778 CB 1.528 10 residues pruned to eliminate duplicates Z: 10 13.374 1.935 0.818 0.606 0.889 0.667 CB 1.289 12 residues pruned to eliminate duplicates Z: 6 4.914 1.748 0.324 0.470 0.800 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 14 11.951 1.977 0.333 0.442 0.846 0.615 CA 1.577 14 residues pruned to eliminate duplicates Z: 7 11.651 2.062 0.521 0.604 1.000 0.833 CB 1.373 7 residues pruned to eliminate duplicates Z: 7 9.047 1.878 0.225 0.850 1.000 1.000 CA 1.189 7 residues pruned to eliminate duplicates Z: 20 26.079 1.953 0.512 0.883 1.000 0.789 CA 1.465 20 residues pruned to eliminate duplicates Z: 34 22.942 2.026 0.632 0.424 0.879 0.364 CB 1.488 34 residues pruned to eliminate duplicates Z: 24 19.489 2.162 0.480 0.345 0.957 0.565 CB 1.571 24 residues pruned to eliminate duplicates Z: 20 16.532 1.867 0.768 0.366 0.895 0.632 CA 1.482 20 residues pruned to eliminate duplicates Z: 24 12.290 1.888 0.490 0.349 0.783 0.478 CB 1.371 24 residues pruned to eliminate duplicates Z: 19 17.063 1.938 0.529 0.520 1.000 0.667 CB 1.331 19 residues pruned to eliminate duplicates Z: 8 7.870 1.751 0.229 0.566 1.000 1.000 CA 1.296 7 residues pruned to eliminate duplicates Z: 11 12.479 1.871 0.786 0.694 0.800 0.600 CB 1.237 11 residues pruned to eliminate duplicates Z: 13 14.171 2.121 0.857 0.440 0.750 0.667 CB 1.473 Z: 45 18.473 1.873 0.380 0.443 0.818 0.591 CB 1.397 45 residues pruned to eliminate duplicates Z: 30 17.162 1.956 0.325 0.441 0.931 0.586 CA 1.404 30 residues pruned to eliminate duplicates Z: 17 13.435 1.960 0.335 0.504 0.938 0.750 CB 1.364 17 residues pruned to eliminate duplicates Z: 23 19.614 2.076 0.487 0.542 0.909 0.773 CB 1.430 25 residues pruned to eliminate duplicates Z: 10 15.377 1.799 0.606 0.908 1.000 0.556 CA 1.260 10 residues pruned to eliminate duplicates Z: 33 21.822 2.109 0.499 0.449 0.875 0.562 CB 1.469 33 residues pruned to eliminate duplicates Z: 46 17.580 1.937 0.423 0.407 0.889 0.533 CB 1.179 46 residues pruned to eliminate duplicates Z: 22 24.009 1.913 0.389 0.884 0.952 0.857 CA 1.496 22 residues pruned to eliminate duplicates Z: 23 12.345 1.933 0.354 0.411 0.864 0.500 CB 1.278 16 residues pruned to eliminate duplicates Z: 12 15.427 1.867 0.624 0.833 1.000 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 20 26.544 2.022 0.572 0.918 0.947 0.842 CA 1.427 20 residues pruned to eliminate duplicates Z: 7 5.455 1.577 0.936 0.350 0.833 0.333 CB 1.029 Z: 18 21.585 2.097 0.205 0.918 1.000 0.824 CB 1.461 18 residues pruned to eliminate duplicates Z: 29 18.362 1.920 0.505 0.484 0.893 0.643 CA 1.367 Z: 7 9.903 1.985 0.315 0.669 1.000 0.500 CB 1.325 7 residues pruned to eliminate duplicates Z: 10 10.247 1.948 0.892 0.389 0.889 0.333 CB 1.172 10 residues pruned to eliminate duplicates Z: 19 11.310 1.815 0.295 0.365 0.944 0.556 CB 1.389 14 residues pruned to eliminate duplicates Z: 22 9.643 1.848 0.200 0.377 0.810 0.476 CB 1.335 22 residues pruned to eliminate duplicates Z: 20 15.146 1.929 0.674 0.454 0.895 0.526 CB 1.261 10 residues pruned to eliminate duplicates Z: 29 18.594 2.020 0.737 0.372 0.893 0.500 CA 1.286 29 residues pruned to eliminate duplicates Z: 30 19.978 2.055 0.585 0.409 0.862 0.517 CB 1.454 30 residues pruned to eliminate duplicates Z: 13 4.803 1.558 0.556 0.237 0.750 0.417 CB 1.034 13 residues pruned to eliminate duplicates Z: 8 9.741 1.998 0.542 0.616 0.857 0.714 CA 1.249 Z: 21 27.860 1.993 0.509 0.902 1.000 0.600 CB 1.478 21 residues pruned to eliminate duplicates Z: 9 12.485 1.778 0.486 0.857 1.000 0.750 CA 1.232 9 residues pruned to eliminate duplicates Z: 21 36.259 2.187 0.850 0.919 0.950 0.550 CB 1.486 20 residues pruned to eliminate duplicates Z: 12 10.750 2.138 0.734 0.356 0.818 0.545 CB 1.249 12 residues pruned to eliminate duplicates Z: 11 19.028 2.123 0.573 0.864 1.000 0.600 CB 1.321 11 residues pruned to eliminate duplicates Z: 63 30.890 1.994 0.597 0.494 0.871 0.484 CA 1.423 63 residues pruned to eliminate duplicates Z: 13 6.729 1.791 0.455 0.527 0.917 0.667 CB 0.792 13 residues pruned to eliminate duplicates Z: 16 9.440 1.886 0.272 0.399 0.800 0.667 CA 1.413 16 residues pruned to eliminate duplicates Z: 34 15.111 1.833 0.567 0.346 0.848 0.606 CA 1.276 20 residues pruned to eliminate duplicates Z: 30 16.261 1.881 0.518 0.443 0.828 0.586 CA 1.356 30 residues pruned to eliminate duplicates Z: 11 16.146 2.052 0.781 0.886 0.900 0.800 CB 1.120 11 residues pruned to eliminate duplicates Z: 12 7.894 1.854 0.091 0.471 0.909 0.636 CA 1.333 12 residues pruned to eliminate duplicates Z: 20 26.651 2.026 0.670 0.848 0.895 0.737 CA 1.498 20 residues pruned to eliminate duplicates Z: 7 7.013 1.832 0.263 0.610 0.833 0.833 CA 1.337 7 residues pruned to eliminate duplicates Z: 7 8.902 1.885 0.424 0.582 0.833 0.500 O 1.501 7 residues pruned to eliminate duplicates Z: 35 33.685 2.071 0.647 0.637 0.941 0.529 CA 1.582 35 residues pruned to eliminate duplicates Z: 23 15.861 1.980 0.310 0.445 0.909 0.455 CA 1.517 23 residues pruned to eliminate duplicates Z: 32 19.681 1.960 0.671 0.389 0.839 0.516 CB 1.447 32 residues pruned to eliminate duplicates Z: 12 13.931 1.818 0.523 0.597 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 9 9.701 1.959 0.415 0.616 0.875 0.625 CA 1.267 9 residues pruned to eliminate duplicates Z: 21 26.295 2.033 0.395 0.895 1.000 0.700 CB 1.486 21 residues pruned to eliminate duplicates Z: 63 32.849 1.953 0.584 0.576 0.903 0.629 CB 1.388 31 residues pruned to eliminate duplicates Z: 25 18.669 2.156 0.611 0.390 0.875 0.542 CB 1.408 25 residues pruned to eliminate duplicates Z: 12 8.667 1.959 0.451 0.392 0.818 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 48 27.242 2.003 0.538 0.492 0.894 0.511 CA 1.456 42 residues pruned to eliminate duplicates 6 1.789 1.325 0.156 0.435 0.600 0.600 CA 0.931 ? Z: 17 22.266 1.895 0.530 0.887 0.938 0.938 CB 1.476 17 residues pruned to eliminate duplicates Z: 14 9.379 1.836 0.569 0.380 0.846 0.538 CB 1.212 14 residues pruned to eliminate duplicates Z: 22 30.052 1.960 0.760 0.920 0.952 0.619 CB 1.405 22 residues pruned to eliminate duplicates Z: 21 38.237 2.214 0.702 0.897 1.000 0.700 CB 1.624 21 residues pruned to eliminate duplicates Z: 8 7.329 1.826 0.622 0.302 0.714 0.286 CA 1.633 8 residues pruned to eliminate duplicates Z: 11 9.097 1.868 0.490 0.525 0.800 0.600 CB 1.262 11 residues pruned to eliminate duplicates Z: 7 11.700 2.056 0.482 0.692 0.833 0.667 CA 1.578 7 residues pruned to eliminate duplicates Z: 38 19.809 1.953 0.570 0.420 0.892 0.486 CB 1.294 38 residues pruned to eliminate duplicates Z: 10 6.557 1.690 0.100 0.540 0.778 0.778 CA 1.454 10 residues pruned to eliminate duplicates Z: 6 5.078 1.344 0.550 0.463 1.000 0.400 CA 1.133 Z: 6 5.686 1.868 0.206 0.725 0.800 0.800 CB 1.152 6 residues pruned to eliminate duplicates Z: 23 16.441 2.091 0.295 0.518 0.909 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 31 18.487 1.933 0.432 0.439 0.867 0.600 CA 1.498 31 residues pruned to eliminate duplicates Z: 27 22.916 1.897 0.594 0.597 0.885 0.500 CB 1.532 27 residues pruned to eliminate duplicates Z: 77 37.339 2.053 0.559 0.527 0.921 0.553 CA 1.415 77 residues pruned to eliminate duplicates Z: 31 15.123 1.942 0.369 0.422 0.900 0.433 CB 1.251 31 residues pruned to eliminate duplicates Z: 10 18.426 1.844 0.868 0.890 1.000 0.556 CA 1.283 10 residues pruned to eliminate duplicates Z: 15 8.480 1.942 0.349 0.331 0.786 0.571 CB 1.326 15 residues pruned to eliminate duplicates Z: 29 17.844 2.130 0.677 0.296 0.893 0.464 CB 1.328 29 residues pruned to eliminate duplicates Z: 22 27.754 2.128 0.795 0.900 0.952 0.571 CB 1.189 22 residues pruned to eliminate duplicates Z: 11 8.653 1.696 0.486 0.519 0.900 0.600 CA 1.184 Z: 11 5.652 1.481 0.328 0.273 1.000 0.500 CB 1.175 Z: 8 7.953 1.844 0.174 0.701 1.000 0.429 CB 1.157 8 residues pruned to eliminate duplicates Z: 19 26.486 2.014 0.393 0.905 1.000 0.778 CB 1.583 19 residues pruned to eliminate duplicates Z: 6 4.614 1.307 0.259 0.701 1.000 0.600 O 1.044 6 residues pruned to eliminate duplicates Z: 18 10.624 1.847 0.271 0.514 0.882 0.588 CB 1.226 18 residues pruned to eliminate duplicates Z: 21 33.962 2.211 0.590 0.889 1.000 0.750 CB 1.556 21 residues pruned to eliminate duplicates Z: 12 14.851 1.961 0.430 0.822 0.909 0.727 CA 1.329 12 residues pruned to eliminate duplicates 6 0.970 1.397 0.511 0.386 0.600 0.400 CB 0.387 ? Z: 11 8.793 2.062 0.402 0.463 0.800 0.400 CB 1.248 11 residues pruned to eliminate duplicates Z: 44 27.231 2.015 0.468 0.594 0.907 0.605 CB 1.415 44 residues pruned to eliminate duplicates Z: 10 10.602 1.712 0.473 0.799 0.889 0.556 CA 1.214 10 residues pruned to eliminate duplicates Z: 30 15.683 1.886 0.687 0.300 0.897 0.483 CA 1.277 30 residues pruned to eliminate duplicates Z: 15 20.084 2.182 0.406 0.928 1.000 0.929 CB 1.226 15 residues pruned to eliminate duplicates Z: 10 10.095 1.648 0.177 0.910 1.000 1.000 CA 1.230 10 residues pruned to eliminate duplicates Z: 20 21.489 2.026 0.334 0.877 0.895 0.526 CB 1.480 20 residues pruned to eliminate duplicates Z: 17 11.199 1.941 0.402 0.467 0.812 0.438 CB 1.309 15 residues pruned to eliminate duplicates Z: 13 16.586 2.206 0.451 0.869 0.833 0.583 CB 1.311 13 residues pruned to eliminate duplicates Z: 25 15.248 1.945 0.375 0.444 0.875 0.625 CB 1.409 25 residues pruned to eliminate duplicates Z: 19 5.066 1.679 0.272 0.266 0.722 0.500 CB 1.010 19 residues pruned to eliminate duplicates Z: 6 3.913 1.837 0.318 0.434 0.600 0.600 CA 1.290 6 residues pruned to eliminate duplicates Z: 39 18.380 1.934 0.440 0.414 0.842 0.447 CB 1.391 39 residues pruned to eliminate duplicates Z: 22 13.272 1.871 0.475 0.418 0.857 0.381 CA 1.335 22 residues pruned to eliminate duplicates Z: 29 12.617 1.894 0.294 0.365 0.786 0.464 CB 1.431 29 residues pruned to eliminate duplicates Z: 20 27.104 1.997 0.671 0.893 0.947 0.684 CB 1.412 20 residues pruned to eliminate duplicates Z: 18 7.404 1.675 0.462 0.336 0.765 0.294 CB 1.148 Z: 26 15.612 2.025 0.325 0.419 0.880 0.600 CA 1.439 27 residues pruned to eliminate duplicates 6 1.492 1.567 0.519 0.100 0.400 0.200 CA 1.168 ? Z: 67 25.276 1.945 0.529 0.400 0.894 0.530 CA 1.301 67 residues pruned to eliminate duplicates Z: 66 32.417 1.968 0.526 0.578 0.892 0.600 CB 1.393 49 residues pruned to eliminate duplicates Z: 9 12.061 1.768 0.590 0.882 1.000 0.875 CA 1.098 9 residues pruned to eliminate duplicates Z: 17 9.552 1.761 0.430 0.444 0.812 0.562 CB 1.236 17 residues pruned to eliminate duplicates Z: 30 26.263 2.020 0.710 0.542 0.931 0.655 CA 1.456 30 residues pruned to eliminate duplicates Z: 26 15.574 1.886 0.428 0.474 0.920 0.600 CB 1.291 26 residues pruned to eliminate duplicates Z: 11 6.832 1.707 0.470 0.308 0.800 0.400 N 1.332 11 residues pruned to eliminate duplicates Z: 9 3.912 1.547 0.531 0.205 0.875 0.500 CA 0.946 Z: 13 9.047 1.928 0.868 0.396 0.833 0.667 CA 0.971 13 residues pruned to eliminate duplicates Z: 26 18.845 1.966 0.449 0.482 0.960 0.560 CB 1.404 20 residues pruned to eliminate duplicates Z: 12 8.458 1.994 0.402 0.416 0.818 0.636 CB 1.217 12 residues pruned to eliminate duplicates Z: 15 13.011 1.743 0.703 0.490 0.929 0.429 CB 1.275 11 residues pruned to eliminate duplicates Z: 11 3.384 1.629 0.107 0.249 0.800 0.600 CB 0.990 11 residues pruned to eliminate duplicates Z: 20 21.327 2.060 0.575 0.629 1.000 0.579 CB 1.336 20 residues pruned to eliminate duplicates Z: 31 15.692 1.863 0.489 0.465 0.833 0.500 CA 1.284 31 residues pruned to eliminate duplicates Z: 12 15.457 2.009 0.763 0.719 1.000 0.818 CB 1.079 12 residues pruned to eliminate duplicates Z: 21 38.255 2.053 1.020 0.949 1.000 0.650 CB 1.422 21 residues pruned to eliminate duplicates Z: 11 5.582 1.621 0.546 0.392 0.700 0.400 CA 1.128 6 residues pruned to eliminate duplicates Z: 83 46.267 2.105 0.682 0.578 0.939 0.659 CB 1.426 76 residues pruned to eliminate duplicates Z: 11 9.383 1.958 0.402 0.566 0.800 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 11 13.036 2.102 0.382 0.792 0.800 0.700 CA 1.373 11 residues pruned to eliminate duplicates Z: 6 2.881 1.539 0.146 0.313 0.800 0.400 O 1.123 7 1.344 1.489 -0.407 0.364 0.667 0.500 CB 1.080 ? Z: 7 10.614 1.950 0.268 0.712 1.000 0.833 CB 1.446 7 residues pruned to eliminate duplicates Z: 20 31.471 2.078 0.721 0.912 1.000 0.579 CB 1.429 20 residues pruned to eliminate duplicates Z: 7 3.160 1.727 -0.398 0.706 1.000 0.500 CB 1.028 Z: 21 23.761 1.970 0.638 0.843 0.850 0.400 CA 1.442 21 residues pruned to eliminate duplicates Z: 34 20.530 2.115 0.506 0.432 0.818 0.636 CB 1.472 34 residues pruned to eliminate duplicates Z: 7 7.619 1.581 0.768 0.726 1.000 1.000 CB 0.908 Z: 24 15.830 1.974 0.581 0.466 0.826 0.609 CB 1.325 24 residues pruned to eliminate duplicates Z: 12 5.035 1.766 0.074 0.431 0.727 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 56 21.698 1.873 0.387 0.421 0.927 0.491 CB 1.319 57 residues pruned to eliminate duplicates Z: 21 27.015 2.014 0.480 0.897 1.000 0.600 CB 1.451 21 residues pruned to eliminate duplicates Z: 7 6.048 1.880 0.120 0.468 0.833 0.833 CA 1.455 7 residues pruned to eliminate duplicates Z: 11 6.043 1.459 0.368 0.407 1.000 0.300 C 1.055 Z: 8 9.163 1.930 0.137 0.826 0.857 0.571 CA 1.389 8 residues pruned to eliminate duplicates Z: 8 3.330 1.518 0.172 0.408 0.857 0.429 CA 0.909 Z: 45 34.160 2.111 0.552 0.654 0.977 0.659 CB 1.395 45 residues pruned to eliminate duplicates Z: 22 12.046 1.784 0.517 0.338 0.905 0.476 CB 1.281 22 residues pruned to eliminate duplicates Z: 23 16.627 2.018 0.656 0.480 0.818 0.727 CB 1.323 23 residues pruned to eliminate duplicates Z: 34 23.881 2.075 0.439 0.491 0.939 0.636 CB 1.495 34 residues pruned to eliminate duplicates Z: 7 9.060 1.905 0.577 0.789 0.833 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 7 3.870 1.518 0.615 0.518 0.833 0.667 CB 0.759 7 residues pruned to eliminate duplicates Z: 9 12.011 1.785 0.595 0.769 0.875 0.500 CA 1.343 9 residues pruned to eliminate duplicates Z: 21 9.963 1.933 0.308 0.297 0.850 0.500 CB 1.301 21 residues pruned to eliminate duplicates Z: 26 10.249 1.786 0.375 0.456 0.960 0.480 CB 0.910 26 residues pruned to eliminate duplicates Z: 11 7.127 1.766 0.545 0.398 0.800 0.500 CB 1.150 Z: 6 4.777 2.093 0.456 0.690 0.800 0.600 CB 0.736 6 residues pruned to eliminate duplicates Z: 22 9.620 1.815 0.331 0.269 0.905 0.429 CA 1.250 22 residues pruned to eliminate duplicates Z: 6 2.835 1.388 0.192 0.798 1.000 0.800 CB 0.590 Z: 16 11.454 1.684 0.519 0.434 0.933 0.400 N 1.326 15 residues pruned to eliminate duplicates Z: 12 9.811 1.888 0.330 0.561 0.909 0.545 CB 1.221 12 residues pruned to eliminate duplicates Z: 21 18.205 2.021 0.513 0.578 0.900 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 9 14.632 1.790 0.566 0.867 1.000 0.750 CA 1.351 11 residues pruned to eliminate duplicates Z: 20 34.699 2.181 0.915 0.873 0.895 0.421 CB 1.552 20 residues pruned to eliminate duplicates Z: 6 6.224 1.756 0.687 0.371 1.000 0.600 CB 1.079 Z: 7 5.675 1.841 0.494 0.402 0.667 0.667 CA 1.400 7 residues pruned to eliminate duplicates Z: 18 11.507 1.831 0.626 0.400 0.824 0.529 CA 1.266 18 residues pruned to eliminate duplicates Z: 13 25.504 2.282 0.718 0.919 1.000 0.833 CB 1.324 13 residues pruned to eliminate duplicates Z: 11 5.653 1.624 0.491 0.363 0.800 0.300 CA 1.069 11 residues pruned to eliminate duplicates Z: 12 12.257 2.027 0.493 0.474 0.909 0.545 CB 1.378 12 residues pruned to eliminate duplicates Z: 17 30.110 2.182 0.645 0.931 1.000 0.688 CB 1.466 17 residues pruned to eliminate duplicates Z: 8 7.412 1.663 0.296 0.864 0.857 0.571 CA 1.111 8 residues pruned to eliminate duplicates Z: 9 10.447 1.722 0.292 0.807 1.000 0.875 CA 1.270 8 residues pruned to eliminate duplicates Z: 18 22.372 2.052 0.585 0.861 0.882 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 19 11.214 1.795 0.245 0.375 1.000 0.611 CB 1.350 19 residues pruned to eliminate duplicates Z: 13 5.723 1.773 0.208 0.309 0.833 0.667 CB 1.144 13 residues pruned to eliminate duplicates Z: 6 2.131 1.524 0.177 0.322 0.600 0.400 C 1.077 6 residues pruned to eliminate duplicates Z: 14 11.636 1.950 0.565 0.400 0.846 0.615 CA 1.388 14 residues pruned to eliminate duplicates Z: 8 4.419 1.598 -0.132 0.659 0.857 0.571 C 1.212 Z: 44 21.740 1.947 0.405 0.479 0.860 0.628 CB 1.438 44 residues pruned to eliminate duplicates Z: 33 16.016 1.963 0.659 0.264 0.812 0.406 CB 1.399 33 residues pruned to eliminate duplicates Z: 8 6.363 1.765 0.000 0.666 0.857 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 44 21.938 2.019 0.501 0.351 0.907 0.558 CB 1.430 44 residues pruned to eliminate duplicates Z: 9 8.450 1.979 0.161 0.507 0.875 0.500 CA 1.476 9 residues pruned to eliminate duplicates Z: 11 5.284 1.703 0.535 0.483 0.700 0.500 CB 0.929 Z: 23 15.082 2.016 0.368 0.531 0.909 0.636 CA 1.243 23 residues pruned to eliminate duplicates Z: 14 10.970 2.071 0.427 0.444 0.846 0.538 CB 1.290 14 residues pruned to eliminate duplicates Z: 9 5.067 1.627 0.280 0.566 0.750 0.625 CB 1.076 9 residues pruned to eliminate duplicates Z: 22 14.458 1.864 0.623 0.384 0.905 0.524 CA 1.303 22 residues pruned to eliminate duplicates Z: 13 7.104 1.869 0.320 0.483 0.833 0.750 CA 1.015 13 residues pruned to eliminate duplicates Z: 21 11.860 1.906 0.297 0.389 0.850 0.550 CA 1.420 21 residues pruned to eliminate duplicates Z: 11 6.756 1.580 0.340 0.528 0.800 0.800 CB 1.227 Z: 30 15.094 1.892 0.423 0.469 0.828 0.655 CA 1.298 30 residues pruned to eliminate duplicates Z: 23 14.167 2.073 0.221 0.507 0.909 0.591 CB 1.304 23 residues pruned to eliminate duplicates Z: 26 28.920 2.175 0.490 0.717 1.000 0.760 CA 1.467 26 residues pruned to eliminate duplicates Z: 14 10.267 1.933 0.294 0.378 0.923 0.538 CA 1.405 14 residues pruned to eliminate duplicates Z: 25 12.788 1.905 0.524 0.356 0.833 0.375 CB 1.261 25 residues pruned to eliminate duplicates Z: 12 12.052 2.176 0.213 0.468 1.000 0.636 CA 1.422 12 residues pruned to eliminate duplicates Z: 9 2.679 1.542 -0.107 0.386 0.750 0.500 N 1.034 Z: 22 26.161 2.078 0.668 0.891 0.952 0.571 CB 1.244 22 residues pruned to eliminate duplicates Z: 6 5.146 1.937 0.708 0.546 0.600 0.600 CB 1.108 Z: 16 11.406 1.815 0.460 0.326 0.933 0.600 CB 1.441 16 residues pruned to eliminate duplicates Z: 12 9.026 1.872 0.332 0.360 0.909 0.545 CB 1.396 11 residues pruned to eliminate duplicates Z: 10 6.259 1.992 0.343 0.302 0.778 0.444 CB 1.251 10 residues pruned to eliminate duplicates Z: 10 17.990 2.029 0.830 0.677 0.889 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 8 8.009 1.676 0.291 0.680 1.000 0.286 CB 1.186 8 residues pruned to eliminate duplicates Z: 30 17.133 1.879 0.431 0.467 0.897 0.690 CB 1.365 30 residues pruned to eliminate duplicates Z: 22 15.737 1.958 0.656 0.490 0.762 0.571 CB 1.403 22 residues pruned to eliminate duplicates Z: 27 16.754 1.950 0.400 0.502 0.885 0.615 CA 1.358 27 residues pruned to eliminate duplicates Z: 36 18.765 2.004 0.258 0.434 0.914 0.600 CA 1.474 36 residues pruned to eliminate duplicates Z: 7 5.568 1.626 0.084 0.560 1.000 0.667 CB 1.217 7 residues pruned to eliminate duplicates Z: 20 20.975 1.998 0.390 0.780 0.947 0.842 CB 1.429 20 residues pruned to eliminate duplicates Z: 29 14.413 1.909 0.514 0.333 0.893 0.500 CB 1.267 29 residues pruned to eliminate duplicates Z: 6 2.483 1.623 -0.225 0.591 0.800 0.800 CB 1.012 Z: 22 16.387 2.017 0.548 0.486 0.857 0.619 CB 1.355 22 residues pruned to eliminate duplicates Z: 12 13.026 1.749 0.747 0.477 1.000 0.818 CB 1.315 12 residues pruned to eliminate duplicates Z: 6 3.116 1.639 -0.102 0.449 0.800 0.600 CA 1.248 Z: 8 5.434 1.452 0.540 0.588 0.857 0.714 N 0.985 Z: 15 13.525 1.932 0.359 0.466 1.000 0.500 CB 1.425 15 residues pruned to eliminate duplicates Z: 6 5.130 1.619 0.688 0.410 0.800 0.400 CB 1.152 Z: 7 5.053 1.724 0.139 0.676 1.000 0.500 CB 0.893 7 residues pruned to eliminate duplicates Z: 19 8.630 1.788 0.345 0.362 0.833 0.444 CB 1.178 19 residues pruned to eliminate duplicates Z: 21 36.426 2.159 0.691 0.915 1.000 0.700 CB 1.577 21 residues pruned to eliminate duplicates Z: 11 16.510 2.005 0.293 0.847 1.000 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 18 11.151 1.884 0.253 0.398 0.882 0.235 CA 1.446 18 residues pruned to eliminate duplicates Z: 12 6.594 1.728 0.652 0.317 0.818 0.364 CA 1.041 Z: 11 8.492 1.835 0.753 0.545 0.700 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 6 5.058 1.745 0.605 0.397 0.600 0.400 N 1.500 6 residues pruned to eliminate duplicates Z: 18 16.868 1.924 0.681 0.862 0.882 0.529 CB 1.053 18 residues pruned to eliminate duplicates Z: 7 7.961 1.908 0.586 0.571 0.667 0.667 CB 1.504 7 residues pruned to eliminate duplicates Z: 8 5.280 1.918 0.031 0.323 0.857 0.571 CA 1.430 8 residues pruned to eliminate duplicates Z: 15 12.144 1.995 0.382 0.462 0.857 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 20 21.152 2.025 0.689 0.564 0.895 0.526 CB 1.490 20 residues pruned to eliminate duplicates Z: 32 15.767 1.935 0.545 0.311 0.806 0.548 CB 1.449 32 residues pruned to eliminate duplicates Z: 13 6.057 1.772 0.468 0.334 0.750 0.167 CA 1.075 13 residues pruned to eliminate duplicates Z: 13 7.707 1.903 0.085 0.463 1.000 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 15 9.548 1.639 0.447 0.438 1.000 0.643 CB 1.147 15 residues pruned to eliminate duplicates Z: 11 8.709 1.929 0.264 0.579 1.000 0.800 CA 1.047 11 residues pruned to eliminate duplicates Z: 23 13.596 1.833 0.544 0.496 0.909 0.591 CB 1.131 23 residues pruned to eliminate duplicates Z: 14 16.686 2.019 0.318 0.621 1.000 0.538 CB 1.552 14 residues pruned to eliminate duplicates Z: 10 11.613 1.980 0.484 0.852 0.889 0.556 CB 1.096 10 residues pruned to eliminate duplicates Z: 17 10.025 1.948 0.584 0.287 0.750 0.438 CA 1.376 17 residues pruned to eliminate duplicates Z: 9 4.306 1.786 0.176 0.545 0.875 0.750 CB 0.793 8 residues pruned to eliminate duplicates Z: 31 31.111 2.067 0.547 0.642 0.900 0.667 CA 1.729 31 residues pruned to eliminate duplicates Z: 21 11.696 1.844 0.734 0.381 0.750 0.450 CB 1.237 21 residues pruned to eliminate duplicates Z: 9 10.322 1.802 0.463 0.837 0.750 0.500 CA 1.380 9 residues pruned to eliminate duplicates Z: 12 18.679 2.078 0.630 0.832 0.909 0.636 CB 1.372 12 residues pruned to eliminate duplicates Z: 7 4.407 1.526 0.239 0.515 0.833 0.667 N 1.125 Z: 11 15.710 2.072 0.587 0.571 0.900 0.600 CA 1.567 11 residues pruned to eliminate duplicates Z: 15 6.049 1.772 0.217 0.310 0.857 0.286 CB 1.079 15 residues pruned to eliminate duplicates Z: 10 11.770 1.894 0.785 0.693 1.000 0.778 CB 0.973 9 residues pruned to eliminate duplicates Z: 9 8.539 1.699 0.131 0.864 1.000 0.875 CA 1.152 9 residues pruned to eliminate duplicates Z: 9 3.864 1.898 0.124 0.187 0.875 0.625 CA 1.065 9 residues pruned to eliminate duplicates Z: 11 7.042 1.792 0.348 0.471 0.800 0.300 CA 1.186 11 residues pruned to eliminate duplicates Z: 10 6.621 1.904 0.045 0.504 0.778 0.556 CA 1.421 10 residues pruned to eliminate duplicates Z: 44 40.619 2.185 0.667 0.661 0.977 0.698 CB 1.500 44 residues pruned to eliminate duplicates Z: 9 9.721 1.688 0.296 0.845 1.000 0.750 CA 1.168 9 residues pruned to eliminate duplicates Z: 8 5.951 1.544 0.374 0.815 0.857 0.714 CB 0.941 8 residues pruned to eliminate duplicates Z: 7 3.376 1.613 0.515 0.402 0.667 0.667 N 0.938 7 residues pruned to eliminate duplicates Z: 6 7.143 1.846 0.376 0.656 0.800 0.800 CB 1.359 6 residues pruned to eliminate duplicates Z: 13 12.921 1.981 0.682 0.515 0.750 0.583 CB 1.471 13 residues pruned to eliminate duplicates Z: 10 14.555 1.834 0.542 0.902 1.000 0.778 CA 1.223 10 residues pruned to eliminate duplicates Z: 7 7.737 1.655 0.674 0.511 0.833 0.667 O 1.354 Z: 18 7.026 1.714 0.269 0.302 0.765 0.471 CA 1.278 18 residues pruned to eliminate duplicates Z: 7 2.998 1.657 0.151 0.375 0.833 0.333 CA 0.880 Z: 6 2.188 1.612 0.138 0.305 0.600 0.600 N 1.105 6 residues pruned to eliminate duplicates Z: 11 8.357 1.696 0.368 0.607 0.900 0.700 N 1.143 9 residues pruned to eliminate duplicates Z: 7 9.988 1.854 0.740 0.866 0.667 0.500 CB 1.387 Z: 11 5.101 1.813 0.160 0.399 0.800 0.400 CB 1.067 11 residues pruned to eliminate duplicates Z: 22 15.967 1.942 0.558 0.523 0.952 0.619 CA 1.181 22 residues pruned to eliminate duplicates Z: 13 19.792 1.844 0.748 0.916 0.917 0.667 CB 1.366 Z: 14 8.782 1.798 0.626 0.398 0.846 0.538 CA 1.097 14 residues pruned to eliminate duplicates Z: 20 10.320 1.795 0.402 0.389 0.895 0.421 CB 1.183 20 residues pruned to eliminate duplicates Z: 8 5.683 1.802 0.334 0.457 0.714 0.571 N 1.307 8 residues pruned to eliminate duplicates Z: 20 8.133 1.708 0.466 0.328 0.737 0.474 CB 1.222 20 residues pruned to eliminate duplicates Z: 8 10.319 1.835 0.175 0.879 1.000 0.857 CB 1.312 8 residues pruned to eliminate duplicates Z: 54 39.881 2.123 0.734 0.617 0.925 0.509 CB 1.442 54 residues pruned to eliminate duplicates Z: 10 4.129 1.421 0.404 0.453 0.889 0.333 CB 0.815 Z: 9 12.084 1.899 0.515 0.873 0.875 0.500 CA 1.236 9 residues pruned to eliminate duplicates Z: 10 12.354 1.985 0.422 0.638 0.889 0.778 CA 1.442 10 residues pruned to eliminate duplicates Z: 6 3.738 1.506 0.292 0.530 0.800 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 21 35.028 2.143 0.724 0.910 1.000 0.950 CB 1.504 21 residues pruned to eliminate duplicates Z: 18 13.509 1.960 0.293 0.380 0.882 0.471 N 1.664 18 residues pruned to eliminate duplicates Z: 21 29.728 2.048 0.718 0.920 0.950 0.600 CB 1.400 21 residues pruned to eliminate duplicates Z: 29 11.725 1.778 0.278 0.388 0.821 0.393 CB 1.337 25 residues pruned to eliminate duplicates Z: 6 3.017 1.753 0.352 0.323 0.600 0.600 N 1.154 7 0.857 1.248 -0.062 0.305 0.667 0.333 CB 0.557 ? Z: 12 5.138 1.607 0.328 0.407 0.909 0.273 CB 0.880 9 residues pruned to eliminate duplicates Z: 13 7.161 1.649 0.369 0.398 0.833 0.583 CB 1.224 13 residues pruned to eliminate duplicates Z: 9 2.440 1.245 0.657 0.189 0.750 0.500 CB 0.809 Z: 11 10.963 1.893 0.190 0.596 1.000 0.600 CB 1.405 11 residues pruned to eliminate duplicates Z: 56 38.249 2.101 0.650 0.479 0.964 0.564 CB 1.577 56 residues pruned to eliminate duplicates Z: 74 41.008 2.119 0.598 0.568 0.904 0.521 CB 1.468 74 residues pruned to eliminate duplicates Z: 12 11.290 1.850 0.583 0.595 0.909 0.545 CA 1.168 12 residues pruned to eliminate duplicates Z: 27 17.026 1.890 0.548 0.450 0.885 0.615 CB 1.358 27 residues pruned to eliminate duplicates Z: 43 24.522 1.956 0.500 0.447 0.929 0.595 CA 1.467 43 residues pruned to eliminate duplicates Z: 11 9.671 1.701 0.685 0.591 0.900 0.700 CA 1.087 11 residues pruned to eliminate duplicates Z: 15 25.229 2.127 0.696 0.875 1.000 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 38 14.805 1.900 0.431 0.388 0.811 0.649 CB 1.244 38 residues pruned to eliminate duplicates Z: 6 3.939 1.521 0.385 0.712 0.800 0.600 CA 0.862 6 residues pruned to eliminate duplicates Z: 9 5.205 1.823 0.190 0.285 1.000 0.500 CA 1.080 9 residues pruned to eliminate duplicates Z: 8 2.192 1.183 0.222 0.334 0.857 0.429 N 0.802 Z: 9 6.086 1.670 0.324 0.514 0.875 0.625 CA 1.097 11 residues pruned to eliminate duplicates Z: 8 3.119 1.618 -0.038 0.647 0.714 0.571 CB 0.924 8 residues pruned to eliminate duplicates Z: 10 5.289 1.700 0.159 0.425 0.889 0.556 CA 1.088 10 residues pruned to eliminate duplicates Z: 19 14.487 1.925 0.552 0.804 0.833 0.611 CB 1.052 19 residues pruned to eliminate duplicates Z: 8 6.795 1.591 0.808 0.544 1.000 0.714 CB 0.855 8 residues pruned to eliminate duplicates Z: 13 8.195 1.927 0.312 0.389 0.833 0.667 CB 1.263 13 residues pruned to eliminate duplicates Z: 27 26.463 2.038 0.671 0.711 0.962 0.577 CB 1.309 27 residues pruned to eliminate duplicates Z: 14 18.418 2.102 0.171 0.916 1.000 0.846 CB 1.465 14 residues pruned to eliminate duplicates Z: 11 4.124 1.643 0.348 0.314 0.700 0.500 CB 1.034 Z: 10 10.207 1.859 0.601 0.589 1.000 0.667 CB 1.049 10 residues pruned to eliminate duplicates 8 1.561 1.369 0.297 0.071 0.571 0.286 CB 1.018 ? Z: 19 15.357 1.915 0.542 0.570 0.889 0.611 CA 1.289 19 residues pruned to eliminate duplicates Z: 9 4.263 1.503 0.283 0.213 0.875 0.250 C 1.252 Z: 54 40.476 2.101 0.785 0.582 0.887 0.566 CB 1.546 54 residues pruned to eliminate duplicates Z: 17 10.327 1.804 0.383 0.446 0.812 0.625 CA 1.346 17 residues pruned to eliminate duplicates Z: 10 4.502 1.625 0.520 0.364 0.667 0.333 CB 1.055 10 residues pruned to eliminate duplicates Z: 7 5.505 1.525 0.147 0.542 1.000 0.833 N 1.234 Z: 41 16.652 1.903 0.279 0.428 0.875 0.525 CB 1.333 41 residues pruned to eliminate duplicates Z: 7 3.820 1.911 0.276 0.676 0.833 0.500 CB 0.652 7 residues pruned to eliminate duplicates Z: 6 3.384 1.772 0.490 0.368 0.600 0.400 CB 1.100 Z: 11 8.943 1.853 0.193 0.520 1.000 0.600 CA 1.254 11 residues pruned to eliminate duplicates Z: 31 14.431 1.890 0.307 0.418 0.933 0.667 CB 1.245 35 residues pruned to eliminate duplicates 6 1.829 1.446 0.310 0.198 0.600 0.200 CB 1.031 ? Z: 24 16.591 1.932 0.553 0.408 0.913 0.609 CA 1.390 24 residues pruned to eliminate duplicates Z: 9 6.629 1.703 0.467 0.508 0.875 0.625 CB 1.064 9 residues pruned to eliminate duplicates Z: 7 6.030 1.630 0.229 0.695 1.000 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 8 4.880 1.615 0.531 0.354 0.857 0.286 CA 1.020 Z: 12 13.501 1.736 0.445 0.796 1.000 0.455 CA 1.252 12 residues pruned to eliminate duplicates Z: 9 4.233 1.370 0.518 0.429 0.875 0.500 C 0.885 Z: 35 28.453 1.887 0.706 0.721 0.941 0.765 CB 1.319 35 residues pruned to eliminate duplicates Z: 8 3.904 1.804 -0.004 0.276 0.857 0.571 CA 1.234 8 residues pruned to eliminate duplicates Z: 8 7.065 1.941 0.486 0.387 0.857 0.714 CB 1.218 8 residues pruned to eliminate duplicates Z: 10 6.978 1.860 0.285 0.499 0.778 0.556 CB 1.253 Z: 9 3.095 1.455 0.561 0.185 0.625 0.375 CA 1.125 9 residues pruned to eliminate duplicates Z: 26 15.231 2.063 0.333 0.473 0.840 0.440 CB 1.355 26 residues pruned to eliminate duplicates Z: 6 6.254 1.763 0.287 0.626 1.000 0.600 CA 1.095 6 residues pruned to eliminate duplicates Z: 12 7.751 1.850 0.638 0.447 0.636 0.545 CA 1.280 12 residues pruned to eliminate duplicates Z: 28 13.613 1.863 0.293 0.394 0.926 0.704 CB 1.314 24 residues pruned to eliminate duplicates Z: 7 3.315 1.516 -0.017 0.525 1.000 0.667 CB 0.887 6 0.987 0.968 0.182 0.636 0.800 0.600 O 0.425 ? Z: 6 7.982 1.914 0.455 0.600 1.000 0.800 CA 1.166 6 residues pruned to eliminate duplicates Z: 42 16.898 1.886 0.326 0.414 0.902 0.512 CB 1.279 45 residues pruned to eliminate duplicates Z: 18 8.697 1.685 0.255 0.503 0.824 0.471 CB 1.208 18 residues pruned to eliminate duplicates Z: 6 6.159 1.860 0.279 0.718 1.000 0.800 CA 0.951 6 residues pruned to eliminate duplicates Z: 6 4.910 1.651 0.835 0.655 0.800 0.600 CB 0.784 Z: 28 19.199 2.049 0.818 0.352 0.852 0.481 CB 1.367 28 residues pruned to eliminate duplicates Z: 9 3.587 1.357 0.152 0.449 0.875 0.625 C 0.977 Z: 20 10.717 1.882 0.381 0.329 0.947 0.632 CB 1.204 20 residues pruned to eliminate duplicates Z: 23 16.000 1.926 0.538 0.511 0.773 0.500 CA 1.475 23 residues pruned to eliminate duplicates Z: 14 11.838 1.976 0.408 0.402 0.923 0.615 CA 1.417 14 residues pruned to eliminate duplicates Z: 24 15.647 1.981 0.574 0.341 0.913 0.478 CB 1.363 24 residues pruned to eliminate duplicates Z: 11 5.723 1.569 0.286 0.370 0.900 0.500 C 1.146 11 residues pruned to eliminate duplicates 6 1.363 1.198 0.796 0.455 0.800 0.400 CB 0.370 ? Z: 19 26.390 1.981 0.841 0.915 1.000 0.444 CB 1.206 19 residues pruned to eliminate duplicates Z: 7 3.837 1.669 0.452 0.572 0.833 0.333 CB 0.723 Z: 9 4.991 1.954 0.195 0.196 0.875 0.625 CA 1.241 9 residues pruned to eliminate duplicates Z: 6 3.361 1.418 0.569 0.494 0.800 0.600 CB 0.850 Z: 7 4.240 1.652 0.416 0.380 0.833 0.667 CA 1.008 Z: 54 28.620 2.022 0.652 0.473 0.906 0.528 CB 1.335 54 residues pruned to eliminate duplicates Z: 33 13.066 1.938 0.521 0.245 0.781 0.531 CB 1.347 33 residues pruned to eliminate duplicates Z: 23 15.353 1.750 0.580 0.516 0.773 0.727 CB 1.509 23 residues pruned to eliminate duplicates Z: 7 3.627 1.483 0.475 0.399 0.833 0.500 CB 0.904 Z: 7 6.345 1.804 0.518 0.278 1.000 0.500 N 1.216 7 residues pruned to eliminate duplicates Z: 8 4.925 1.761 0.120 0.443 0.714 0.286 CB 1.400 Z: 12 8.531 1.931 0.449 0.251 0.909 0.364 CA 1.346 54 residues pruned to eliminate duplicates Z: 12 12.325 1.847 0.542 0.471 1.000 0.636 CB 1.345 12 residues pruned to eliminate duplicates Z: 36 26.423 1.981 0.647 0.601 0.829 0.429 CB 1.502 36 residues pruned to eliminate duplicates Z: 12 16.403 2.040 0.372 0.881 1.000 0.909 CB 1.279 12 residues pruned to eliminate duplicates Z: 27 18.233 2.076 0.638 0.389 0.885 0.538 CB 1.337 27 residues pruned to eliminate duplicates Z: 19 26.438 2.068 0.714 0.920 0.889 0.500 CB 1.393 19 residues pruned to eliminate duplicates Z: 6 5.173 1.876 -0.008 0.673 0.800 0.600 CB 1.325 Z: 17 14.492 1.926 0.361 0.519 1.000 0.562 CB 1.356 17 residues pruned to eliminate duplicates Z: 13 5.787 1.862 0.106 0.172 0.833 0.583 CA 1.449 13 residues pruned to eliminate duplicates Z: 8 8.592 2.110 0.277 0.306 1.000 0.571 CA 1.496 8 residues pruned to eliminate duplicates Z: 10 6.062 1.635 0.322 0.416 0.778 0.444 CA 1.313 10 residues pruned to eliminate duplicates Z: 12 4.611 1.677 0.054 0.212 0.818 0.545 N 1.351 12 residues pruned to eliminate duplicates Z: 9 6.216 1.576 0.658 0.343 0.875 0.250 CB 1.140 9 residues pruned to eliminate duplicates Z: 13 6.106 1.745 0.185 0.454 0.833 0.583 CA 1.072 13 residues pruned to eliminate duplicates Z: 19 5.443 1.558 -0.027 0.424 0.833 0.444 CB 1.099 19 residues pruned to eliminate duplicates Z: 11 4.101 1.634 0.588 0.317 0.500 0.500 N 1.224 11 residues pruned to eliminate duplicates Z: 10 5.222 1.586 0.515 0.383 0.667 0.444 CB 1.230 10 residues pruned to eliminate duplicates Z: 19 28.608 1.973 0.849 0.785 0.889 0.333 CB 1.618 19 residues pruned to eliminate duplicates Z: 23 12.689 2.012 0.212 0.301 0.818 0.500 CB 1.692 23 residues pruned to eliminate duplicates Z: 25 17.658 2.051 0.617 0.377 0.833 0.500 CA 1.488 25 residues pruned to eliminate duplicates Z: 16 8.816 1.853 0.310 0.327 0.867 0.533 CB 1.309 16 residues pruned to eliminate duplicates Z: 33 20.099 1.884 0.557 0.652 0.875 0.500 CB 1.202 33 residues pruned to eliminate duplicates Z: 37 20.215 1.982 0.400 0.462 0.917 0.583 CA 1.377 37 residues pruned to eliminate duplicates Z: 27 10.444 1.901 0.344 0.399 0.846 0.538 CB 1.054 27 residues pruned to eliminate duplicates 6 1.748 1.341 0.025 0.300 1.000 1.000 CA 0.711 ? Z: 42 40.719 2.131 0.628 0.743 0.976 0.878 CA 1.512 42 residues pruned to eliminate duplicates 6 1.316 1.133 0.084 0.382 0.600 0.400 CA 0.905 ? Z: 15 6.876 1.518 0.198 0.414 0.857 0.643 CB 1.290 7 residues pruned to eliminate duplicates Z: 28 14.284 1.891 0.371 0.479 0.815 0.556 CA 1.329 28 residues pruned to eliminate duplicates Z: 20 11.155 1.860 0.428 0.368 0.895 0.526 CB 1.242 20 residues pruned to eliminate duplicates Z: 23 11.419 1.888 0.499 0.338 0.864 0.455 CB 1.189 23 residues pruned to eliminate duplicates Z: 6 4.223 1.632 0.063 0.658 1.000 0.800 CB 0.940 Z: 9 3.709 1.258 0.546 0.256 1.000 0.375 O 0.892 Z: 8 5.582 1.619 0.174 0.461 0.857 0.714 CA 1.347 8 residues pruned to eliminate duplicates Z: 12 4.505 1.668 0.158 0.306 0.727 0.545 CB 1.200 12 residues pruned to eliminate duplicates Z: 24 16.011 1.887 0.384 0.593 0.957 0.565 CB 1.223 24 residues pruned to eliminate duplicates Z: 20 12.493 1.851 0.255 0.476 0.895 0.526 CB 1.412 20 residues pruned to eliminate duplicates Z: 14 9.410 2.120 0.242 0.398 0.769 0.462 CB 1.435 14 residues pruned to eliminate duplicates Z: 7 2.629 1.262 0.720 0.246 0.667 0.333 C 0.993 Z: 7 5.074 1.973 0.010 0.645 0.667 0.667 CB 1.362 7 residues pruned to eliminate duplicates Z: 7 3.355 1.561 0.591 0.307 0.667 0.333 CA 1.026 Z: 8 5.602 1.593 0.315 0.569 0.714 0.286 N 1.323 Z: 21 16.285 1.967 0.695 0.405 0.900 0.700 CA 1.341 21 residues pruned to eliminate duplicates Z: 26 11.803 1.838 0.341 0.308 0.880 0.440 CA 1.347 26 residues pruned to eliminate duplicates Z: 12 4.535 1.558 0.044 0.430 0.909 0.364 N 0.994 7 residues pruned to eliminate duplicates Z: 15 7.559 1.743 0.275 0.347 0.857 0.571 CB 1.252 15 residues pruned to eliminate duplicates Z: 26 16.612 1.895 0.429 0.513 0.920 0.600 CA 1.315 26 residues pruned to eliminate duplicates Z: 10 20.219 2.069 0.621 0.820 1.000 0.889 CA 1.523 10 residues pruned to eliminate duplicates Z: 9 20.953 2.053 0.823 0.884 1.000 0.375 CB 1.431 9 residues pruned to eliminate duplicates Z: 6 3.211 1.466 0.077 0.522 0.800 0.800 CA 1.113 Z: 6 3.843 1.523 0.692 0.482 0.800 0.400 CA 0.849 6 residues pruned to eliminate duplicates Z: 31 30.042 2.045 0.671 0.700 0.900 0.467 CB 1.485 31 residues pruned to eliminate duplicates Z: 9 14.480 1.792 0.784 0.895 1.000 0.875 CB 1.147 9 residues pruned to eliminate duplicates Z: 25 11.379 1.766 0.425 0.379 0.917 0.417 CB 1.146 25 residues pruned to eliminate duplicates Z: 15 6.114 1.743 0.594 0.353 0.571 0.500 CA 1.207 15 residues pruned to eliminate duplicates Z: 12 6.352 1.511 0.763 0.432 0.727 0.545 N 1.060 12 residues pruned to eliminate duplicates Z: 7 5.745 1.495 0.678 0.514 0.833 0.333 N 1.106 Z: 7 4.481 1.768 0.013 0.437 0.833 0.833 CA 1.309 7 residues pruned to eliminate duplicates Z: 15 6.198 1.835 0.283 0.293 0.786 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 10 19.914 2.112 0.799 0.875 1.000 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 22 10.011 1.765 0.235 0.432 0.857 0.476 CB 1.254 22 residues pruned to eliminate duplicates Z: 21 13.467 1.876 0.403 0.539 0.950 0.550 CB 1.160 21 residues pruned to eliminate duplicates Z: 15 5.496 1.818 0.046 0.228 0.786 0.357 CB 1.350 15 residues pruned to eliminate duplicates Z: 7 4.323 1.651 0.730 0.614 0.833 0.500 CA 0.666 7 residues pruned to eliminate duplicates Z: 20 26.502 2.039 0.823 0.875 0.895 0.474 CB 1.330 20 residues pruned to eliminate duplicates Z: 13 9.931 1.832 0.442 0.434 0.917 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 17 6.394 1.557 0.341 0.468 0.875 0.500 CA 0.904 17 residues pruned to eliminate duplicates Z: 10 10.750 1.724 0.618 0.809 0.778 0.444 CB 1.262 10 residues pruned to eliminate duplicates Z: 9 8.851 2.058 0.362 0.590 0.875 0.625 CA 1.171 9 residues pruned to eliminate duplicates Z: 13 9.975 1.767 0.453 0.512 0.833 0.417 CA 1.331 13 residues pruned to eliminate duplicates Z: 17 8.479 1.658 0.511 0.435 0.812 0.562 CB 1.113 17 residues pruned to eliminate duplicates Z: 33 21.149 2.061 0.736 0.328 0.844 0.469 CB 1.496 33 residues pruned to eliminate duplicates Z: 6 3.953 1.410 -0.047 0.777 1.000 0.800 CB 1.030 Z: 11 4.635 1.622 0.072 0.418 0.900 0.600 CB 1.020 11 residues pruned to eliminate duplicates Z: 28 13.844 1.830 0.255 0.397 0.963 0.481 CA 1.344 28 residues pruned to eliminate duplicates Z: 16 8.625 1.659 0.605 0.272 0.800 0.467 CB 1.355 16 residues pruned to eliminate duplicates Z: 18 7.630 1.607 0.473 0.476 0.882 0.706 CB 0.908 8 residues pruned to eliminate duplicates Z: 11 5.660 1.692 0.422 0.433 0.800 0.500 CB 0.997 11 residues pruned to eliminate duplicates Z: 7 10.327 1.947 0.745 0.533 1.000 0.500 CB 1.202 7 residues pruned to eliminate duplicates Z: 6 4.082 1.991 0.603 0.201 0.800 0.400 CB 1.020 6 residues pruned to eliminate duplicates Z: 13 13.313 1.808 0.751 0.453 0.917 0.667 CB 1.390 11 residues pruned to eliminate duplicates Z: 43 39.273 2.152 0.623 0.676 0.952 0.690 CA 1.550 43 residues pruned to eliminate duplicates Z: 36 16.372 1.761 0.385 0.450 0.857 0.514 CB 1.393 36 residues pruned to eliminate duplicates Z: 11 6.471 1.738 0.443 0.301 0.900 0.400 CA 1.131 11 residues pruned to eliminate duplicates Z: 29 35.396 2.221 0.735 0.708 0.964 0.464 CB 1.490 29 residues pruned to eliminate duplicates Z: 30 12.513 1.911 0.412 0.371 0.793 0.448 CB 1.247 30 residues pruned to eliminate duplicates Z: 7 6.518 1.745 0.376 0.512 1.000 0.833 CB 1.095 7 residues pruned to eliminate duplicates Z: 9 6.507 1.669 0.392 0.580 0.875 0.625 CA 1.048 9 residues pruned to eliminate duplicates Z: 33 14.820 1.800 0.287 0.394 0.938 0.625 CB 1.349 33 residues pruned to eliminate duplicates Z: 7 5.431 1.709 0.250 0.561 1.000 0.667 N 0.978 Z: 8 2.941 1.506 0.479 0.346 0.571 0.571 CA 1.032 Z: 8 2.782 1.361 0.074 0.285 0.857 0.571 C 1.070 Z: 30 16.775 1.971 0.344 0.432 0.931 0.552 CB 1.355 30 residues pruned to eliminate duplicates Z: 6 2.665 1.371 0.370 0.165 1.000 0.400 CB 0.954 Z: 9 4.336 1.464 0.228 0.427 0.875 0.625 CA 1.051 9 residues pruned to eliminate duplicates Z: 21 17.720 2.044 0.499 0.541 0.850 0.650 CB 1.462 21 residues pruned to eliminate duplicates 6 1.527 1.298 0.326 0.159 0.800 0.200 CA 0.752 ? Z: 8 2.134 1.194 0.697 0.340 0.857 0.571 N 0.553 Z: 10 3.333 1.554 0.377 0.475 0.889 0.444 CB 0.599 10 residues pruned to eliminate duplicates Z: 14 12.658 1.670 0.509 0.560 0.923 0.538 CA 1.424 14 residues pruned to eliminate duplicates Z: 16 11.185 1.816 0.378 0.430 0.867 0.333 CB 1.432 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.840 1.370 0.638 0.345 0.833 0.167 N 0.992 5 residues pruned to eliminate duplicates Z: 6 3.828 1.171 1.015 0.448 1.000 0.800 N 0.765 5 residues pruned to eliminate duplicates Z: 7 5.768 1.359 0.554 0.504 1.000 0.667 CA 1.110 7 residues pruned to eliminate duplicates Z: 13 7.212 1.654 0.508 0.492 0.917 0.667 CA 0.918 11 residues pruned to eliminate duplicates Z: 7 2.462 1.299 0.193 0.437 0.833 0.333 CB 0.831 7 residues pruned to eliminate duplicates Z: 9 5.535 1.761 0.627 0.331 0.750 0.250 CA 1.096 9 residues pruned to eliminate duplicates Z: 12 8.551 1.721 0.719 0.543 0.909 0.545 CA 0.919 12 residues pruned to eliminate duplicates Z: 6 6.089 1.838 0.835 0.551 0.800 0.400 CA 0.959 6 residues pruned to eliminate duplicates Z: 17 12.506 1.883 0.517 0.559 0.875 0.500 CB 1.182 18 residues pruned to eliminate duplicates Z: 7 3.139 1.674 0.658 0.465 0.667 0.333 CA 0.717 6 residues pruned to eliminate duplicates Z: 8 5.102 1.819 0.888 0.399 0.714 0.286 CA 0.874 8 residues pruned to eliminate duplicates 6 1.540 1.530 0.396 0.152 0.800 0.400 CA 0.618 ? Z: 6 5.112 1.528 0.936 0.389 0.800 0.600 N 1.086 6 residues pruned to eliminate duplicates Z: 11 9.675 2.043 0.414 0.516 0.900 0.600 CB 1.159 11 residues pruned to eliminate duplicates Z: 12 8.498 1.976 0.292 0.400 0.909 0.545 CB 1.226 12 residues pruned to eliminate duplicates Z: 13 11.693 1.937 0.410 0.430 1.000 0.500 CB 1.328 13 residues pruned to eliminate duplicates Z: 14 8.549 1.794 0.371 0.421 0.923 0.385 CB 1.134 14 residues pruned to eliminate duplicates Z: 15 10.650 1.894 0.478 0.425 0.929 0.500 CB 1.184 15 residues pruned to eliminate duplicates Z: 13 11.247 1.966 0.345 0.427 1.000 0.500 CB 1.324 13 residues pruned to eliminate duplicates Z: 6 7.202 1.919 0.539 0.486 1.000 0.400 CA 1.106 6 residues pruned to eliminate duplicates Z: 7 7.150 1.683 0.809 0.720 0.833 0.333 CA 0.943 6 residues pruned to eliminate duplicates Z: 6 6.850 1.810 0.537 0.689 1.000 0.600 CA 0.926 7 residues pruned to eliminate duplicates Z: 6 5.118 1.818 0.627 0.596 0.800 0.400 CA 0.882 6 residues pruned to eliminate duplicates Z: 11 6.629 1.838 0.377 0.422 0.900 0.400 CB 0.998 11 residues pruned to eliminate duplicates Z: 7 3.285 1.855 0.072 0.275 0.833 0.500 CB 1.044 7 residues pruned to eliminate duplicates Z: 10 6.177 1.749 0.495 0.328 1.000 0.333 CB 0.951 10 residues pruned to eliminate duplicates Z: 8 6.399 1.653 0.789 0.386 0.714 0.429 N 1.292 7 residues pruned to eliminate duplicates Z: 11 10.080 1.758 0.653 0.511 0.900 0.600 CB 1.206 14 residues pruned to eliminate duplicates Z: 7 3.080 1.459 0.531 0.538 0.833 0.500 CB 0.651 7 residues pruned to eliminate duplicates Z: 9 3.731 1.930 0.350 0.231 0.750 0.375 CB 0.924 9 residues pruned to eliminate duplicates Z: 7 6.413 1.830 0.473 0.524 0.833 0.167 CB 1.138 7 residues pruned to eliminate duplicates Z: 25 13.786 1.921 0.517 0.363 0.833 0.583 CB 1.342 25 residues pruned to eliminate duplicates Z: 19 17.649 2.002 0.652 0.419 0.944 0.556 CB 1.449 19 residues pruned to eliminate duplicates Z: 20 17.220 1.991 0.676 0.384 0.947 0.474 CB 1.413 20 residues pruned to eliminate duplicates Z: 24 13.110 1.911 0.449 0.393 0.826 0.522 CB 1.338 24 residues pruned to eliminate duplicates Z: 21 14.624 1.927 0.529 0.429 0.900 0.550 CB 1.328 21 residues pruned to eliminate duplicates Z: 21 14.475 1.948 0.529 0.329 0.900 0.300 CB 1.457 21 residues pruned to eliminate duplicates Z: 23 16.114 2.032 0.454 0.430 0.864 0.545 CA 1.448 23 residues pruned to eliminate duplicates Z: 23 12.879 1.982 0.500 0.337 0.818 0.682 CB 1.349 23 residues pruned to eliminate duplicates Z: 24 16.409 1.986 0.530 0.395 0.913 0.609 CB 1.378 24 residues pruned to eliminate duplicates Z: 26 18.158 1.978 0.441 0.437 0.960 0.480 CB 1.416 26 residues pruned to eliminate duplicates Z: 27 17.198 1.923 0.433 0.452 0.962 0.538 CB 1.338 27 residues pruned to eliminate duplicates Z: 22 16.502 2.009 0.547 0.388 0.905 0.524 CB 1.442 22 residues pruned to eliminate duplicates Z: 20 13.344 1.989 0.470 0.353 0.947 0.526 CB 1.295 20 residues pruned to eliminate duplicates Z: 23 16.132 1.975 0.424 0.438 0.955 0.682 CB 1.366 23 residues pruned to eliminate duplicates Z: 25 15.954 1.931 0.528 0.457 0.833 0.625 CB 1.384 25 residues pruned to eliminate duplicates Z: 25 14.866 1.945 0.505 0.386 0.833 0.458 CB 1.405 25 residues pruned to eliminate duplicates Z: 13 3.437 1.603 0.609 0.116 0.667 0.250 CA 0.936 13 residues pruned to eliminate duplicates Z: 25 11.303 1.925 0.442 0.262 0.833 0.333 CB 1.309 25 residues pruned to eliminate duplicates Z: 24 12.719 1.987 0.418 0.343 0.826 0.565 CB 1.352 24 residues pruned to eliminate duplicates Z: 19 12.389 1.887 0.450 0.423 0.889 0.667 CB 1.301 19 residues pruned to eliminate duplicates Z: 9 4.724 1.728 0.217 0.492 0.750 0.500 CB 1.068 9 residues pruned to eliminate duplicates Z: 29 14.519 1.861 0.461 0.407 0.893 0.464 CB 1.246 28 residues pruned to eliminate duplicates Z: 6 4.451 1.438 0.437 0.355 1.000 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 39 23.540 1.986 0.372 0.488 0.974 0.526 CA 1.458 39 residues pruned to eliminate duplicates Z: 39 21.956 1.980 0.369 0.460 0.921 0.500 CA 1.485 39 residues pruned to eliminate duplicates Z: 38 23.347 2.005 0.420 0.487 0.973 0.568 CA 1.404 38 residues pruned to eliminate duplicates Z: 17 15.864 1.881 0.401 0.442 1.000 0.562 CB 1.598 17 residues pruned to eliminate duplicates Z: 39 23.799 1.997 0.521 0.476 0.868 0.526 CB 1.499 39 residues pruned to eliminate duplicates Z: 37 23.478 2.042 0.336 0.486 0.972 0.611 CA 1.497 37 residues pruned to eliminate duplicates Z: 56 22.679 1.929 0.412 0.450 0.873 0.509 CB 1.354 56 residues pruned to eliminate duplicates Z: 36 22.328 2.038 0.393 0.489 0.914 0.571 CA 1.470 36 residues pruned to eliminate duplicates Z: 39 20.903 1.987 0.417 0.475 0.868 0.579 CA 1.423 39 residues pruned to eliminate duplicates Z: 38 21.663 1.983 0.479 0.490 0.892 0.595 CA 1.375 38 residues pruned to eliminate duplicates Z: 38 23.324 2.006 0.453 0.493 0.892 0.541 CA 1.486 38 residues pruned to eliminate duplicates Z: 51 21.112 1.942 0.436 0.417 0.880 0.520 CB 1.327 51 residues pruned to eliminate duplicates Z: 37 23.479 2.055 0.395 0.505 0.917 0.528 CA 1.481 37 residues pruned to eliminate duplicates Z: 15 11.064 2.079 0.309 0.475 0.857 0.571 CA 1.300 15 residues pruned to eliminate duplicates Z: 41 20.489 1.941 0.389 0.450 0.875 0.550 CA 1.445 41 residues pruned to eliminate duplicates Z: 24 16.519 2.110 0.361 0.507 0.826 0.565 CA 1.443 24 residues pruned to eliminate duplicates Z: 39 21.171 1.985 0.441 0.477 0.868 0.526 CA 1.416 39 residues pruned to eliminate duplicates Z: 29 14.442 2.019 0.265 0.428 0.857 0.643 CB 1.344 29 residues pruned to eliminate duplicates Z: 26 13.305 2.052 0.188 0.463 0.880 0.560 CA 1.289 26 residues pruned to eliminate duplicates Z: 23 15.336 2.079 0.402 0.473 0.864 0.500 CA 1.335 23 residues pruned to eliminate duplicates Z: 36 21.989 2.046 0.402 0.446 0.914 0.571 CA 1.498 36 residues pruned to eliminate duplicates Z: 36 22.488 2.043 0.422 0.489 0.886 0.600 CA 1.494 36 residues pruned to eliminate duplicates Z: 26 15.450 2.000 0.416 0.430 0.840 0.600 CB 1.396 26 residues pruned to eliminate duplicates Z: 49 22.406 1.957 0.414 0.445 0.875 0.500 CB 1.413 49 residues pruned to eliminate duplicates Z: 23 15.780 2.144 0.337 0.487 0.909 0.545 CA 1.308 23 residues pruned to eliminate duplicates Z: 24 14.688 2.075 0.311 0.492 0.826 0.565 CA 1.374 24 residues pruned to eliminate duplicates Z: 10 12.372 1.985 0.809 0.587 1.000 0.556 CB 1.056 10 residues pruned to eliminate duplicates Z: 23 17.203 2.096 0.345 0.528 0.909 0.500 CB 1.392 23 residues pruned to eliminate duplicates Z: 36 23.921 2.076 0.504 0.492 0.886 0.629 CA 1.474 36 residues pruned to eliminate duplicates Z: 25 16.540 2.022 0.346 0.495 0.875 0.708 CB 1.425 25 residues pruned to eliminate duplicates Z: 8 4.522 1.854 0.406 0.321 0.857 0.429 CA 0.931 8 residues pruned to eliminate duplicates Z: 8 4.804 1.878 0.423 0.317 0.857 0.429 CA 0.970 8 residues pruned to eliminate duplicates Z: 9 3.329 1.699 0.773 0.302 0.625 0.375 CA 0.779 9 residues pruned to eliminate duplicates Z: 9 6.316 1.844 0.593 0.385 0.750 0.500 CA 1.146 9 residues pruned to eliminate duplicates Z: 10 4.322 1.631 0.807 0.392 0.889 0.556 CA 0.616 10 residues pruned to eliminate duplicates Z: 9 5.141 1.738 0.594 0.405 0.875 0.500 CA 0.828 9 residues pruned to eliminate duplicates Z: 22 13.085 1.945 0.374 0.416 0.857 0.524 CB 1.361 22 residues pruned to eliminate duplicates Z: 33 16.036 1.966 0.536 0.352 0.812 0.562 CB 1.355 47 residues pruned to eliminate duplicates Z: 6 4.469 1.732 -0.090 0.485 1.000 0.600 N 1.288 6 residues pruned to eliminate duplicates Z: 15 9.797 1.891 0.345 0.423 0.857 0.643 CB 1.301 15 residues pruned to eliminate duplicates Z: 24 12.823 1.898 0.515 0.341 0.870 0.478 CB 1.271 24 residues pruned to eliminate duplicates Z: 7 9.179 1.788 0.554 0.473 1.000 1.000 CA 1.387 7 residues pruned to eliminate duplicates Z: 16 9.288 1.937 0.446 0.411 0.733 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 20 8.884 1.938 0.296 0.336 0.737 0.579 CB 1.317 20 residues pruned to eliminate duplicates Z: 15 10.798 2.047 0.386 0.432 0.857 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 30 12.323 1.881 0.504 0.369 0.759 0.517 CB 1.227 30 residues pruned to eliminate duplicates Z: 22 12.218 2.017 0.350 0.375 0.810 0.667 CB 1.382 22 residues pruned to eliminate duplicates Z: 24 13.528 1.999 0.509 0.373 0.783 0.565 CB 1.368 24 residues pruned to eliminate duplicates Z: 89 41.611 2.069 0.476 0.514 0.932 0.636 CA 1.537 95 residues pruned to eliminate duplicates Z: 6 2.850 1.642 0.662 0.296 0.800 0.400 CA 0.734 6 residues pruned to eliminate duplicates Z: 61 33.973 2.032 0.506 0.608 0.900 0.617 CA 1.438 61 residues pruned to eliminate duplicates Z: 27 13.974 1.971 0.238 0.461 0.846 0.538 CA 1.381 27 residues pruned to eliminate duplicates Z: 37 22.878 2.063 0.292 0.597 0.861 0.667 CA 1.515 37 residues pruned to eliminate duplicates Z: 68 29.441 1.953 0.440 0.479 0.925 0.522 CA 1.412 68 residues pruned to eliminate duplicates Z: 55 33.063 2.033 0.446 0.587 0.944 0.630 CA 1.490 55 residues pruned to eliminate duplicates Z: 24 16.930 2.022 0.302 0.457 0.957 0.609 CB 1.465 24 residues pruned to eliminate duplicates Z: 21 11.991 2.049 0.230 0.428 0.850 0.750 CA 1.349 21 residues pruned to eliminate duplicates Z: 47 24.548 2.059 0.364 0.539 0.848 0.652 CA 1.463 47 residues pruned to eliminate duplicates Z: 42 21.472 2.041 0.315 0.464 0.878 0.610 CA 1.476 42 residues pruned to eliminate duplicates Z: 23 12.472 2.003 0.392 0.332 0.818 0.636 CB 1.402 23 residues pruned to eliminate duplicates Z: 82 35.125 2.028 0.462 0.510 0.889 0.642 CB 1.466 82 residues pruned to eliminate duplicates Z: 56 35.273 2.056 0.516 0.609 0.964 0.673 CA 1.428 56 residues pruned to eliminate duplicates Z: 54 31.793 2.081 0.377 0.608 0.925 0.642 CB 1.488 54 residues pruned to eliminate duplicates Z: 8 13.047 2.133 0.533 0.651 0.857 0.857 CA 1.528 8 residues pruned to eliminate duplicates Z: 72 34.175 2.044 0.514 0.525 0.873 0.606 CA 1.464 72 residues pruned to eliminate duplicates Z: 88 41.018 2.075 0.506 0.507 0.931 0.575 CA 1.500 88 residues pruned to eliminate duplicates Z: 24 25.305 2.137 0.644 0.702 0.913 0.652 CA 1.369 24 residues pruned to eliminate duplicates Z: 64 39.254 2.092 0.542 0.583 0.952 0.619 CA 1.486 63 residues pruned to eliminate duplicates Z: 21 30.730 2.068 0.646 0.873 0.950 0.550 CB 1.547 21 residues pruned to eliminate duplicates Z: 43 31.508 2.062 0.635 0.607 0.905 0.643 CA 1.441 43 residues pruned to eliminate duplicates Z: 59 36.705 2.089 0.610 0.566 0.914 0.517 CA 1.471 59 residues pruned to eliminate duplicates Z: 36 25.115 2.086 0.508 0.593 0.829 0.543 CA 1.490 36 residues pruned to eliminate duplicates Z: 26 25.758 2.104 0.607 0.644 0.880 0.520 CA 1.514 26 residues pruned to eliminate duplicates Z: 37 22.172 2.044 0.513 0.547 0.806 0.583 CA 1.417 37 residues pruned to eliminate duplicates Z: 28 23.191 2.060 0.471 0.630 0.815 0.444 CA 1.600 28 residues pruned to eliminate duplicates Z: 35 26.226 2.056 0.625 0.569 0.853 0.529 CA 1.477 35 residues pruned to eliminate duplicates Z: 28 25.822 2.028 0.720 0.593 0.889 0.444 CA 1.467 28 residues pruned to eliminate duplicates Z: 13 18.438 2.059 0.876 0.678 0.833 0.250 CA 1.404 13 residues pruned to eliminate duplicates Z: 33 30.866 2.037 0.648 0.671 0.938 0.531 CB 1.480 33 residues pruned to eliminate duplicates Z: 44 33.954 2.066 0.536 0.647 0.930 0.581 CA 1.530 44 residues pruned to eliminate duplicates Z: 53 34.090 2.103 0.516 0.581 0.885 0.442 CA 1.551 53 residues pruned to eliminate duplicates Z: 47 32.431 2.075 0.534 0.653 0.891 0.543 CA 1.462 47 residues pruned to eliminate duplicates Z: 43 36.812 2.092 0.591 0.671 0.976 0.619 CB 1.493 43 residues pruned to eliminate duplicates Z: 47 39.783 2.092 0.739 0.639 0.913 0.565 CA 1.551 47 residues pruned to eliminate duplicates Z: 44 30.132 2.020 0.541 0.617 0.930 0.512 CB 1.421 44 residues pruned to eliminate duplicates Z: 36 26.104 2.074 0.429 0.604 0.914 0.514 CA 1.475 36 residues pruned to eliminate duplicates Z: 48 35.278 2.069 0.507 0.667 0.957 0.660 CB 1.477 48 residues pruned to eliminate duplicates Z: 41 32.651 2.052 0.635 0.661 0.950 0.375 CB 1.395 41 residues pruned to eliminate duplicates Z: 15 15.975 2.057 0.565 0.609 1.000 0.714 CB 1.196 15 residues pruned to eliminate duplicates Z: 46 27.405 2.000 0.597 0.462 0.911 0.511 CB 1.459 46 residues pruned to eliminate duplicates Z: 39 37.676 2.043 0.759 0.693 0.947 0.421 CB 1.506 39 residues pruned to eliminate duplicates Z: 22 23.713 2.035 0.921 0.572 0.952 0.476 CB 1.296 22 residues pruned to eliminate duplicates Z: 44 26.573 2.028 0.594 0.480 0.907 0.488 CB 1.410 44 residues pruned to eliminate duplicates Z: 82 36.277 1.983 0.564 0.521 0.889 0.605 CA 1.432 82 residues pruned to eliminate duplicates Z: 73 37.855 2.089 0.496 0.546 0.917 0.556 CA 1.489 73 residues pruned to eliminate duplicates Z: 24 21.990 1.999 0.540 0.644 1.000 0.652 CB 1.302 24 residues pruned to eliminate duplicates Z: 64 39.559 2.071 0.623 0.589 0.921 0.508 CA 1.480 57 residues pruned to eliminate duplicates Z: 14 15.408 1.916 0.466 0.844 0.923 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 28 22.550 2.017 0.597 0.498 0.926 0.444 CA 1.458 28 residues pruned to eliminate duplicates Z: 54 34.737 2.057 0.593 0.534 0.925 0.472 CA 1.523 54 residues pruned to eliminate duplicates Z: 43 26.763 2.029 0.515 0.453 0.976 0.500 CA 1.444 43 residues pruned to eliminate duplicates Z: 49 26.121 2.034 0.391 0.484 0.938 0.458 CA 1.444 49 residues pruned to eliminate duplicates Z: 6 4.111 1.705 0.882 0.255 0.800 0.200 CA 0.949 6 residues pruned to eliminate duplicates Z: 47 30.279 2.039 0.631 0.482 0.935 0.609 CB 1.464 46 residues pruned to eliminate duplicates Z: 7 3.153 1.820 0.153 0.292 0.667 0.167 CA 1.162 7 residues pruned to eliminate duplicates Z: 20 14.590 1.986 0.479 0.352 0.895 0.368 CA 1.495 20 residues pruned to eliminate duplicates Z: 30 19.040 2.072 0.492 0.423 0.897 0.483 CA 1.382 30 residues pruned to eliminate duplicates Z: 23 17.750 2.007 0.619 0.407 0.864 0.591 CA 1.486 23 residues pruned to eliminate duplicates Z: 58 42.531 2.104 0.656 0.575 0.947 0.526 CB 1.588 58 residues pruned to eliminate duplicates Z: 39 30.053 2.069 0.670 0.466 1.000 0.447 CB 1.460 39 residues pruned to eliminate duplicates Z: 32 17.650 2.036 0.480 0.381 0.839 0.548 CA 1.424 32 residues pruned to eliminate duplicates Z: 18 13.908 1.983 0.468 0.336 0.941 0.412 CA 1.472 18 residues pruned to eliminate duplicates Z: 18 14.264 2.046 0.573 0.319 0.824 0.412 CA 1.594 18 residues pruned to eliminate duplicates Z: 24 20.121 2.098 0.772 0.355 0.870 0.522 CA 1.518 24 residues pruned to eliminate duplicates Z: 78 40.625 2.063 0.654 0.515 0.883 0.532 CA 1.514 78 residues pruned to eliminate duplicates Z: 30 23.704 2.047 0.766 0.448 0.897 0.483 CA 1.432 30 residues pruned to eliminate duplicates Z: 39 19.589 1.900 0.483 0.383 0.921 0.500 CA 1.386 39 residues pruned to eliminate duplicates Z: 18 12.822 2.018 0.493 0.349 0.824 0.412 CA 1.477 18 residues pruned to eliminate duplicates Z: 24 20.153 2.067 0.681 0.355 0.913 0.435 CA 1.548 24 residues pruned to eliminate duplicates Z: 62 37.118 2.037 0.576 0.555 0.951 0.541 CB 1.475 63 residues pruned to eliminate duplicates Z: 10 11.916 1.700 0.515 0.784 1.000 0.556 CA 1.201 13 residues pruned to eliminate duplicates Z: 9 10.526 1.771 0.506 0.822 0.875 0.625 CA 1.206 9 residues pruned to eliminate duplicates Z: 9 9.602 1.753 0.235 0.764 1.000 0.875 CB 1.241 9 residues pruned to eliminate duplicates Z: 44 31.150 2.056 0.693 0.527 0.953 0.628 CA 1.394 44 residues pruned to eliminate duplicates Z: 6 6.812 1.923 0.749 0.439 0.800 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 83 38.756 2.075 0.513 0.541 0.890 0.598 CA 1.471 83 residues pruned to eliminate duplicates Z: 46 28.267 2.027 0.570 0.488 0.956 0.489 CA 1.403 46 residues pruned to eliminate duplicates Z: 9 4.256 1.792 0.341 0.223 0.750 0.500 CA 1.155 9 residues pruned to eliminate duplicates Z: 12 7.707 1.839 0.726 0.265 0.909 0.455 CA 1.053 12 residues pruned to eliminate duplicates Z: 10 8.678 1.837 0.700 0.296 1.000 0.444 CA 1.164 10 residues pruned to eliminate duplicates Z: 10 8.478 2.031 0.654 0.269 0.889 0.444 CA 1.230 10 residues pruned to eliminate duplicates Z: 11 9.556 2.044 0.812 0.195 0.900 0.500 CA 1.304 11 residues pruned to eliminate duplicates Z: 49 22.700 1.983 0.504 0.407 0.896 0.542 CB 1.352 49 residues pruned to eliminate duplicates Z: 11 5.205 1.963 0.676 0.161 0.700 0.300 CA 1.081 11 residues pruned to eliminate duplicates Z: 12 8.392 1.982 0.653 0.190 0.818 0.364 CA 1.369 12 residues pruned to eliminate duplicates Z: 15 7.842 1.809 0.656 0.157 0.857 0.500 CA 1.241 15 residues pruned to eliminate duplicates Z: 31 15.964 1.988 0.425 0.330 0.833 0.500 CB 1.487 31 residues pruned to eliminate duplicates Z: 14 6.208 1.839 0.735 0.115 0.769 0.308 CB 1.141 14 residues pruned to eliminate duplicates Z: 41 21.919 2.016 0.475 0.380 0.900 0.500 CB 1.472 41 residues pruned to eliminate duplicates Z: 30 17.595 2.037 0.572 0.344 0.828 0.552 CA 1.461 30 residues pruned to eliminate duplicates Z: 31 20.234 1.983 0.406 0.452 0.900 0.500 CB 1.546 31 residues pruned to eliminate duplicates Z: 28 15.826 2.084 0.430 0.315 0.852 0.519 CA 1.471 28 residues pruned to eliminate duplicates Z: 38 21.215 1.989 0.421 0.434 0.946 0.514 CB 1.397 38 residues pruned to eliminate duplicates Z: 19 13.155 1.962 0.365 0.438 0.889 0.611 CA 1.389 19 residues pruned to eliminate duplicates Z: 20 15.832 2.137 0.592 0.317 0.895 0.474 CA 1.461 20 residues pruned to eliminate duplicates Z: 28 17.102 2.048 0.514 0.346 0.889 0.667 CB 1.412 28 residues pruned to eliminate duplicates Z: 35 14.914 1.943 0.455 0.335 0.853 0.382 CB 1.271 35 residues pruned to eliminate duplicates Z: 31 18.628 1.983 0.424 0.445 0.867 0.667 CB 1.471 31 residues pruned to eliminate duplicates Z: 40 18.360 1.908 0.439 0.393 0.897 0.590 CB 1.337 40 residues pruned to eliminate duplicates Z: 29 17.023 1.992 0.611 0.320 0.857 0.464 CA 1.427 29 residues pruned to eliminate duplicates Z: 19 14.184 1.962 0.479 0.392 0.889 0.389 CB 1.454 19 residues pruned to eliminate duplicates Z: 13 6.944 1.891 0.144 0.343 0.750 0.250 CA 1.465 13 residues pruned to eliminate duplicates Z: 31 18.969 1.986 0.461 0.407 0.900 0.533 CB 1.462 31 residues pruned to eliminate duplicates Z: 19 12.662 1.990 0.342 0.397 0.833 0.500 CA 1.494 19 residues pruned to eliminate duplicates Z: 30 17.252 2.018 0.325 0.418 0.828 0.552 CB 1.577 30 residues pruned to eliminate duplicates Z: 29 14.091 1.872 0.337 0.452 0.857 0.500 CB 1.304 29 residues pruned to eliminate duplicates Z: 45 20.286 1.989 0.572 0.335 0.841 0.432 CB 1.393 45 residues pruned to eliminate duplicates Z: 18 8.898 1.861 0.368 0.374 0.824 0.529 CB 1.178 18 residues pruned to eliminate duplicates Z: 16 9.649 1.860 0.367 0.479 0.800 0.533 CB 1.251 16 residues pruned to eliminate duplicates Z: 25 11.280 1.838 0.368 0.438 0.875 0.542 CB 1.115 25 residues pruned to eliminate duplicates Z: 22 13.154 1.876 0.498 0.470 0.905 0.571 CB 1.163 22 residues pruned to eliminate duplicates Z: 31 13.838 1.884 0.295 0.446 0.867 0.567 CB 1.264 31 residues pruned to eliminate duplicates Z: 11 7.028 1.848 0.292 0.435 0.800 0.600 CB 1.245 11 residues pruned to eliminate duplicates Z: 20 12.249 1.897 0.393 0.464 1.000 0.684 CB 1.104 20 residues pruned to eliminate duplicates Z: 17 13.169 1.860 0.513 0.483 0.875 0.500 CB 1.361 17 residues pruned to eliminate duplicates Z: 12 10.228 1.909 0.286 0.475 0.818 0.455 CA 1.575 12 residues pruned to eliminate duplicates Z: 17 11.232 1.857 0.367 0.411 0.938 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 17 12.178 1.833 0.474 0.469 0.875 0.562 CB 1.329 17 residues pruned to eliminate duplicates Z: 23 11.581 1.879 0.327 0.445 0.909 0.500 CB 1.153 23 residues pruned to eliminate duplicates Z: 24 15.770 1.863 0.596 0.479 0.870 0.609 CB 1.299 24 residues pruned to eliminate duplicates Z: 23 11.975 1.862 0.394 0.392 0.909 0.455 CB 1.213 23 residues pruned to eliminate duplicates Z: 9 4.795 1.743 0.163 0.534 0.875 0.500 CB 0.925 9 residues pruned to eliminate duplicates Z: 9 6.524 1.797 0.255 0.515 0.875 0.500 CB 1.152 9 residues pruned to eliminate duplicates Z: 7 5.541 1.846 0.569 0.450 0.833 0.500 CB 0.987 7 residues pruned to eliminate duplicates Z: 23 13.026 1.854 0.491 0.413 0.864 0.455 CB 1.274 23 residues pruned to eliminate duplicates Z: 22 15.393 2.035 0.395 0.463 0.952 0.619 CB 1.289 22 residues pruned to eliminate duplicates Z: 23 14.780 1.982 0.442 0.425 0.864 0.455 CB 1.380 23 residues pruned to eliminate duplicates Z: 26 13.979 1.963 0.367 0.381 0.880 0.480 CB 1.345 26 residues pruned to eliminate duplicates Z: 21 10.323 1.978 0.241 0.345 0.850 0.650 CB 1.310 21 residues pruned to eliminate duplicates Z: 15 12.071 2.024 0.397 0.428 0.929 0.571 CB 1.324 15 residues pruned to eliminate duplicates Z: 24 16.591 1.865 0.590 0.454 0.826 0.565 CB 1.480 24 residues pruned to eliminate duplicates Z: 28 14.901 1.968 0.469 0.407 0.815 0.556 CB 1.343 28 residues pruned to eliminate duplicates Z: 18 12.006 1.964 0.440 0.431 0.824 0.529 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 12.623 1.965 0.493 0.487 0.857 0.643 CB 1.359 15 residues pruned to eliminate duplicates Z: 23 9.884 1.903 0.468 0.371 0.818 0.545 CB 1.058 23 residues pruned to eliminate duplicates Z: 13 15.657 1.999 0.804 0.552 0.917 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 12 14.055 2.039 0.751 0.527 0.818 0.636 CB 1.414 12 residues pruned to eliminate duplicates Z: 20 9.919 1.979 0.377 0.278 0.789 0.474 CB 1.359 20 residues pruned to eliminate duplicates Z: 18 11.917 2.013 0.491 0.341 0.824 0.471 CB 1.390 18 residues pruned to eliminate duplicates Z: 67 41.022 2.138 0.572 0.590 0.909 0.682 CB 1.516 67 residues pruned to eliminate duplicates Z: 13 10.028 1.995 0.575 0.369 0.750 0.583 CB 1.414 13 residues pruned to eliminate duplicates Z: 34 19.358 1.920 0.546 0.417 0.848 0.606 CB 1.460 34 residues pruned to eliminate duplicates Z: 35 20.383 1.904 0.548 0.432 0.882 0.676 CB 1.442 48 residues pruned to eliminate duplicates Z: 52 38.573 2.106 0.670 0.579 0.941 0.667 CB 1.512 52 residues pruned to eliminate duplicates Z: 58 35.664 2.100 0.585 0.570 0.877 0.719 CB 1.512 58 residues pruned to eliminate duplicates Z: 23 15.628 2.044 0.457 0.401 0.864 0.545 CB 1.439 23 residues pruned to eliminate duplicates Z: 12 8.663 1.982 0.419 0.386 0.727 0.545 CA 1.442 12 residues pruned to eliminate duplicates Z: 75 38.406 2.067 0.553 0.542 0.932 0.649 CB 1.433 75 residues pruned to eliminate duplicates Z: 79 40.298 2.138 0.556 0.532 0.885 0.577 CB 1.503 79 residues pruned to eliminate duplicates Z: 72 37.669 2.094 0.490 0.553 0.930 0.549 CB 1.463 72 residues pruned to eliminate duplicates Z: 39 37.173 2.188 0.639 0.659 0.921 0.658 CA 1.575 39 residues pruned to eliminate duplicates Z: 76 43.622 2.158 0.617 0.552 0.933 0.587 CB 1.469 76 residues pruned to eliminate duplicates Z: 50 38.214 2.157 0.668 0.637 0.918 0.612 CA 1.453 50 residues pruned to eliminate duplicates Z: 76 43.347 2.136 0.699 0.539 0.907 0.587 CB 1.465 76 residues pruned to eliminate duplicates Z: 40 40.563 2.199 0.622 0.688 0.974 0.718 CA 1.573 40 residues pruned to eliminate duplicates Z: 69 38.489 2.148 0.569 0.560 0.912 0.515 CB 1.433 69 residues pruned to eliminate duplicates Z: 51 36.913 2.136 0.554 0.624 0.920 0.680 CB 1.521 51 residues pruned to eliminate duplicates Z: 74 45.291 2.172 0.540 0.593 0.973 0.603 CB 1.492 74 residues pruned to eliminate duplicates Z: 56 35.553 2.150 0.505 0.606 0.891 0.636 CB 1.503 56 residues pruned to eliminate duplicates Z: 34 35.223 2.186 0.698 0.654 0.939 0.667 CB 1.524 34 residues pruned to eliminate duplicates Z: 29 33.289 2.179 0.543 0.742 0.964 0.750 CB 1.562 29 residues pruned to eliminate duplicates Z: 31 32.635 2.217 0.645 0.695 0.933 0.733 CB 1.464 31 residues pruned to eliminate duplicates Z: 53 41.745 2.172 0.630 0.607 0.981 0.596 CA 1.506 53 residues pruned to eliminate duplicates Z: 50 40.070 2.125 0.652 0.678 0.939 0.714 CB 1.475 50 residues pruned to eliminate duplicates Z: 45 41.276 2.154 0.593 0.707 0.977 0.773 CB 1.537 45 residues pruned to eliminate duplicates Z: 32 38.986 2.201 0.747 0.745 0.968 0.742 CB 1.512 32 residues pruned to eliminate duplicates Z: 43 42.975 2.183 0.791 0.664 0.976 0.667 CB 1.493 43 residues pruned to eliminate duplicates Z: 55 42.277 2.192 0.646 0.600 0.963 0.574 CA 1.505 55 residues pruned to eliminate duplicates Z: 64 38.301 2.110 0.548 0.563 0.921 0.714 CB 1.509 64 residues pruned to eliminate duplicates Z: 28 37.994 2.258 0.693 0.769 0.963 0.741 CB 1.566 28 residues pruned to eliminate duplicates Z: 64 40.421 2.158 0.515 0.605 0.968 0.603 CB 1.456 11 residues pruned to eliminate duplicates Z: 21 34.478 2.226 0.722 0.884 1.000 0.750 CB 1.453 21 residues pruned to eliminate duplicates Z: 82 42.021 2.124 0.595 0.556 0.914 0.556 CB 1.429 82 residues pruned to eliminate duplicates Z: 70 40.869 2.122 0.507 0.601 0.928 0.696 CB 1.507 53 residues pruned to eliminate duplicates Z: 16 28.799 2.181 0.638 0.864 1.000 0.667 CB 1.526 16 residues pruned to eliminate duplicates Z: 74 45.942 2.150 0.666 0.592 0.945 0.562 CB 1.454 74 residues pruned to eliminate duplicates Z: 44 40.097 2.153 0.751 0.687 0.907 0.581 CB 1.506 44 residues pruned to eliminate duplicates Z: 72 47.693 2.179 0.716 0.579 0.930 0.592 CB 1.509 72 residues pruned to eliminate duplicates Z: 49 37.866 2.124 0.752 0.596 0.896 0.562 CB 1.495 49 residues pruned to eliminate duplicates Z: 44 40.474 2.151 0.609 0.664 1.000 0.465 CA 1.532 44 residues pruned to eliminate duplicates Z: 42 44.855 2.206 0.783 0.704 0.976 0.610 CA 1.517 42 residues pruned to eliminate duplicates Z: 42 45.096 2.178 0.779 0.712 0.976 0.537 CA 1.537 42 residues pruned to eliminate duplicates Z: 66 43.857 2.169 0.700 0.566 0.938 0.569 CB 1.475 66 residues pruned to eliminate duplicates Z: 46 34.989 2.134 0.558 0.651 0.933 0.578 CB 1.461 46 residues pruned to eliminate duplicates Z: 50 41.216 2.082 0.870 0.636 0.939 0.592 CB 1.418 50 residues pruned to eliminate duplicates Z: 43 45.429 2.178 0.814 0.696 1.000 0.548 CB 1.483 43 residues pruned to eliminate duplicates Z: 68 48.828 2.193 0.789 0.570 0.970 0.493 CB 1.465 68 residues pruned to eliminate duplicates Z: 118 46.670 2.088 0.629 0.486 0.906 0.521 CB 1.420 102 residues pruned to eliminate duplicates Z: 12 18.600 2.026 0.642 0.819 1.000 0.545 CB 1.278 12 residues pruned to eliminate duplicates Z: 52 38.194 2.112 0.656 0.592 0.980 0.490 CB 1.429 52 residues pruned to eliminate duplicates Z: 47 40.606 2.154 0.806 0.647 0.978 0.609 CB 1.372 47 residues pruned to eliminate duplicates Z: 96 40.824 2.084 0.712 0.475 0.884 0.432 CB 1.362 96 residues pruned to eliminate duplicates Z: 35 20.326 2.039 0.639 0.343 0.941 0.471 CB 1.314 35 residues pruned to eliminate duplicates Z: 24 17.930 2.183 0.637 0.324 0.913 0.435 CB 1.390 24 residues pruned to eliminate duplicates Z: 82 45.720 2.155 0.705 0.520 0.901 0.494 CB 1.504 82 residues pruned to eliminate duplicates Z: 32 25.650 2.161 0.723 0.404 0.935 0.452 CB 1.464 32 residues pruned to eliminate duplicates Z: 64 43.058 2.135 0.770 0.576 0.921 0.476 CB 1.449 64 residues pruned to eliminate duplicates Z: 84 48.009 2.165 0.753 0.559 0.916 0.494 CB 1.433 84 residues pruned to eliminate duplicates Z: 10 16.444 2.309 0.636 0.415 1.000 0.333 CA 1.586 10 residues pruned to eliminate duplicates Z: 30 26.839 2.198 0.710 0.463 0.897 0.517 CB 1.536 30 residues pruned to eliminate duplicates Z: 71 44.004 2.166 0.714 0.562 0.943 0.471 CB 1.415 71 residues pruned to eliminate duplicates Z: 29 18.600 2.047 0.797 0.380 0.821 0.464 CB 1.322 29 residues pruned to eliminate duplicates Z: 24 22.403 2.084 0.777 0.456 0.913 0.522 CB 1.445 24 residues pruned to eliminate duplicates Z: 6 3.765 1.528 0.803 0.285 0.800 0.000 CB 0.974 6 residues pruned to eliminate duplicates Z: 27 19.398 2.125 0.877 0.335 0.846 0.423 CB 1.350 27 residues pruned to eliminate duplicates Z: 23 20.657 2.154 0.786 0.441 0.818 0.455 CB 1.486 23 residues pruned to eliminate duplicates Z: 31 26.457 2.198 0.756 0.406 0.900 0.467 CB 1.535 31 residues pruned to eliminate duplicates Z: 32 25.824 2.119 0.825 0.412 0.935 0.419 CB 1.406 33 residues pruned to eliminate duplicates Z: 6 3.588 1.764 0.226 0.318 1.000 0.400 CA 0.907 6 residues pruned to eliminate duplicates Z: 83 41.481 2.123 0.699 0.513 0.927 0.476 CB 1.352 83 residues pruned to eliminate duplicates Z: 22 18.754 2.125 0.569 0.417 0.905 0.381 CB 1.479 22 residues pruned to eliminate duplicates Z: 32 24.900 2.165 0.755 0.398 0.903 0.516 CB 1.451 32 residues pruned to eliminate duplicates Z: 30 20.670 2.152 0.731 0.371 0.828 0.448 CB 1.430 30 residues pruned to eliminate duplicates Z: 9 18.321 1.835 0.897 0.872 1.000 1.000 CA 1.357 9 residues pruned to eliminate duplicates Z: 24 16.691 2.048 0.771 0.395 0.783 0.565 CB 1.371 24 residues pruned to eliminate duplicates Z: 8 6.375 1.808 0.545 0.271 0.714 0.286 CB 1.567 8 residues pruned to eliminate duplicates Z: 33 25.433 2.105 0.760 0.395 0.906 0.438 CB 1.497 33 residues pruned to eliminate duplicates Z: 7 4.832 1.704 0.363 0.221 0.833 0.167 CB 1.414 3 residues pruned to eliminate duplicates Z: 8 4.756 1.412 0.757 0.305 0.857 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 8 6.012 1.765 0.127 0.403 0.857 0.286 CB 1.476 5 residues pruned to eliminate duplicates Z: 7 7.341 1.463 0.484 0.837 1.000 0.833 CA 1.033 8 residues pruned to eliminate duplicates Z: 7 6.513 1.589 0.651 0.398 1.000 0.667 CA 1.127 7 residues pruned to eliminate duplicates Z: 17 10.489 1.810 0.393 0.422 0.875 0.375 CA 1.289 17 residues pruned to eliminate duplicates Z: 19 13.173 1.794 0.566 0.426 0.889 0.500 CA 1.342 19 residues pruned to eliminate duplicates Z: 32 14.420 1.869 0.339 0.450 0.839 0.645 CA 1.299 31 residues pruned to eliminate duplicates Z: 7 5.772 1.564 0.462 0.370 1.000 0.500 C 1.185 7 residues pruned to eliminate duplicates Z: 19 11.206 1.859 0.441 0.408 0.889 0.389 CA 1.221 19 residues pruned to eliminate duplicates Z: 29 16.072 1.951 0.319 0.479 0.857 0.607 CA 1.406 29 residues pruned to eliminate duplicates Z: 19 13.182 1.725 0.636 0.460 0.944 0.444 CA 1.214 18 residues pruned to eliminate duplicates Z: 6 2.923 1.413 0.939 0.572 0.600 0.400 CB 0.741 6 residues pruned to eliminate duplicates Z: 30 18.303 1.904 0.436 0.507 0.931 0.517 CA 1.327 30 residues pruned to eliminate duplicates Z: 15 8.649 1.841 0.237 0.484 0.786 0.571 CA 1.312 15 residues pruned to eliminate duplicates Z: 30 18.098 1.938 0.443 0.478 0.862 0.690 CA 1.425 30 residues pruned to eliminate duplicates Z: 15 10.065 1.884 0.182 0.548 0.929 0.571 CA 1.241 15 residues pruned to eliminate duplicates Z: 15 6.958 1.846 0.391 0.379 0.643 0.571 CA 1.282 15 residues pruned to eliminate duplicates Z: 20 10.035 1.687 0.345 0.360 0.842 0.526 CA 1.401 13 residues pruned to eliminate duplicates Z: 6 3.432 1.743 0.187 0.491 0.800 0.400 CA 0.936 6 residues pruned to eliminate duplicates Z: 17 11.726 1.867 0.373 0.480 0.875 0.625 CA 1.334 17 residues pruned to eliminate duplicates Z: 13 6.991 1.817 0.060 0.446 0.833 0.583 CA 1.329 13 residues pruned to eliminate duplicates Z: 34 18.435 1.832 0.478 0.498 0.909 0.636 CA 1.306 34 residues pruned to eliminate duplicates Z: 11 6.172 1.525 0.419 0.460 1.000 0.400 CB 0.940 11 residues pruned to eliminate duplicates Z: 13 5.704 1.531 0.413 0.423 0.750 0.417 N 1.099 13 residues pruned to eliminate duplicates Z: 8 5.843 1.765 0.355 0.299 0.857 0.714 CA 1.347 8 residues pruned to eliminate duplicates Z: 16 8.215 1.598 0.499 0.367 0.867 0.600 CB 1.179 12 residues pruned to eliminate duplicates Z: 6 3.338 1.696 0.377 0.352 0.600 0.400 CB 1.251 6 residues pruned to eliminate duplicates Z: 18 10.097 1.783 0.542 0.359 0.882 0.588 CA 1.176 22 residues pruned to eliminate duplicates Z: 6 4.907 1.797 0.640 0.435 0.800 0.400 CA 0.996 6 residues pruned to eliminate duplicates Z: 20 6.818 1.667 0.561 0.292 0.789 0.474 CB 0.962 20 residues pruned to eliminate duplicates Z: 19 11.743 1.767 0.606 0.420 0.944 0.444 CB 1.122 19 residues pruned to eliminate duplicates Z: 6 8.055 1.733 1.081 0.349 1.000 0.600 CA 1.177 7 residues pruned to eliminate duplicates Z: 7 4.135 1.259 0.882 0.499 1.000 0.667 C 0.714 7 residues pruned to eliminate duplicates Z: 12 12.624 1.865 0.769 0.435 0.818 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 12 10.754 1.804 0.847 0.459 0.818 0.636 CB 1.240 12 residues pruned to eliminate duplicates Z: 13 12.601 1.859 0.782 0.364 0.917 0.833 CB 1.387 12 residues pruned to eliminate duplicates 6 1.643 1.441 0.328 0.284 0.600 0.400 CA 0.817 ? Z: 6 7.033 1.674 0.789 0.473 1.000 0.800 CA 1.079 6 residues pruned to eliminate duplicates Z: 23 18.723 1.998 0.561 0.484 0.909 0.636 CB 1.431 23 residues pruned to eliminate duplicates Z: 11 19.116 2.146 0.516 0.628 1.000 0.700 CA 1.647 11 residues pruned to eliminate duplicates Z: 13 15.103 2.085 0.329 0.499 1.000 0.583 CA 1.575 13 residues pruned to eliminate duplicates Z: 13 16.276 2.078 0.491 0.488 0.917 0.500 CA 1.675 13 residues pruned to eliminate duplicates Z: 28 16.079 1.941 0.460 0.463 0.852 0.593 CA 1.330 28 residues pruned to eliminate duplicates Z: 21 12.237 1.785 0.475 0.394 0.800 0.500 CA 1.453 21 residues pruned to eliminate duplicates Z: 46 20.828 1.915 0.366 0.467 0.889 0.578 CB 1.381 46 residues pruned to eliminate duplicates Z: 42 23.999 1.985 0.420 0.503 0.902 0.683 CA 1.468 42 residues pruned to eliminate duplicates Z: 44 23.437 1.991 0.430 0.477 0.884 0.674 CA 1.454 44 residues pruned to eliminate duplicates Z: 45 18.160 1.875 0.453 0.419 0.818 0.523 CB 1.336 45 residues pruned to eliminate duplicates Z: 46 23.150 1.925 0.456 0.438 0.933 0.644 CA 1.407 46 residues pruned to eliminate duplicates Z: 66 24.763 1.940 0.396 0.410 0.908 0.569 CB 1.374 66 residues pruned to eliminate duplicates Z: 30 17.062 1.868 0.694 0.402 0.828 0.517 CB 1.341 30 residues pruned to eliminate duplicates Z: 13 9.248 1.826 0.829 0.400 0.917 0.667 CA 0.970 13 residues pruned to eliminate duplicates Z: 22 13.693 1.863 0.648 0.401 0.810 0.429 CB 1.334 22 residues pruned to eliminate duplicates Z: 26 17.553 1.885 0.650 0.431 0.920 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 28 15.975 1.949 0.539 0.402 0.889 0.630 CB 1.278 28 residues pruned to eliminate duplicates Z: 22 10.781 1.888 0.471 0.314 0.857 0.571 CB 1.213 22 residues pruned to eliminate duplicates Z: 22 10.630 1.879 0.430 0.334 0.857 0.619 CB 1.208 22 residues pruned to eliminate duplicates Z: 42 18.399 1.915 0.418 0.358 0.878 0.463 CB 1.405 42 residues pruned to eliminate duplicates Z: 15 11.153 1.941 0.432 0.302 0.929 0.571 CB 1.440 15 residues pruned to eliminate duplicates Z: 26 11.943 1.786 0.460 0.349 0.840 0.560 CB 1.284 26 residues pruned to eliminate duplicates Z: 17 9.137 1.933 0.277 0.306 0.875 0.375 CB 1.311 17 residues pruned to eliminate duplicates Z: 13 9.809 1.925 0.331 0.451 0.833 0.417 CB 1.395 13 residues pruned to eliminate duplicates Z: 22 9.829 1.765 0.428 0.341 0.905 0.571 CB 1.119 22 residues pruned to eliminate duplicates Z: 14 7.181 1.779 0.451 0.324 0.846 0.385 CB 1.108 14 residues pruned to eliminate duplicates Z: 22 11.066 1.796 0.438 0.320 0.905 0.429 CB 1.261 22 residues pruned to eliminate duplicates Z: 14 9.009 1.744 0.648 0.310 1.000 0.462 CB 1.074 14 residues pruned to eliminate duplicates Z: 14 8.517 1.787 0.333 0.414 0.846 0.462 CA 1.282 14 residues pruned to eliminate duplicates Z: 40 16.436 1.931 0.279 0.359 0.923 0.538 CB 1.344 40 residues pruned to eliminate duplicates Z: 19 10.647 1.845 0.488 0.349 0.833 0.500 CA 1.292 19 residues pruned to eliminate duplicates Z: 31 14.257 1.867 0.517 0.361 0.833 0.433 CA 1.280 31 residues pruned to eliminate duplicates Z: 13 8.755 1.784 0.555 0.353 0.833 0.500 CA 1.281 13 residues pruned to eliminate duplicates Z: 13 8.595 1.901 0.217 0.399 0.833 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 30 12.206 1.791 0.483 0.313 0.793 0.448 CB 1.322 30 residues pruned to eliminate duplicates Z: 20 9.490 1.879 0.379 0.327 0.789 0.632 CB 1.286 20 residues pruned to eliminate duplicates Z: 33 13.691 1.839 0.480 0.266 0.875 0.469 CB 1.327 33 residues pruned to eliminate duplicates Z: 35 13.890 1.930 0.310 0.314 0.794 0.412 CA 1.458 35 residues pruned to eliminate duplicates Z: 45 15.978 1.918 0.325 0.330 0.841 0.432 CB 1.358 45 residues pruned to eliminate duplicates Z: 21 8.828 1.653 0.339 0.319 0.800 0.300 CA 1.361 21 residues pruned to eliminate duplicates Z: 38 14.369 1.896 0.269 0.378 0.865 0.459 CB 1.293 38 residues pruned to eliminate duplicates Z: 39 16.050 1.915 0.446 0.309 0.816 0.368 CA 1.426 39 residues pruned to eliminate duplicates Z: 45 14.159 1.885 0.472 0.322 0.818 0.364 CB 1.145 45 residues pruned to eliminate duplicates Z: 41 14.602 1.856 0.416 0.365 0.850 0.575 CB 1.195 41 residues pruned to eliminate duplicates Z: 10 5.128 1.738 0.412 0.174 0.889 0.222 CA 1.164 10 residues pruned to eliminate duplicates Z: 24 8.416 1.816 0.319 0.314 0.870 0.435 CB 1.035 24 residues pruned to eliminate duplicates Z: 22 16.429 1.960 0.542 0.422 0.905 0.571 CA 1.422 22 residues pruned to eliminate duplicates Z: 11 8.592 1.774 0.526 0.442 0.800 0.400 CB 1.331 11 residues pruned to eliminate duplicates Z: 22 9.800 1.725 0.255 0.351 0.905 0.333 CB 1.284 22 residues pruned to eliminate duplicates Z: 22 11.394 1.881 0.365 0.346 0.905 0.571 CB 1.265 22 residues pruned to eliminate duplicates Z: 27 13.946 1.971 0.429 0.417 0.769 0.654 CA 1.377 27 residues pruned to eliminate duplicates Z: 28 11.282 1.814 0.536 0.283 0.852 0.481 CB 1.169 28 residues pruned to eliminate duplicates Z: 21 14.567 1.860 0.486 0.328 1.000 0.500 CA 1.423 21 residues pruned to eliminate duplicates Z: 13 9.379 1.806 0.552 0.400 0.917 0.667 N 1.171 13 residues pruned to eliminate duplicates Z: 13 11.013 1.899 0.476 0.359 1.000 0.667 N 1.320 13 residues pruned to eliminate duplicates Z: 27 12.472 1.904 0.537 0.286 0.769 0.500 CA 1.382 27 residues pruned to eliminate duplicates Z: 13 11.736 1.951 0.572 0.412 0.917 0.583 N 1.322 13 residues pruned to eliminate duplicates Z: 20 14.172 2.068 0.421 0.442 0.789 0.526 CA 1.488 20 residues pruned to eliminate duplicates Z: 22 10.659 1.997 0.161 0.367 0.810 0.571 CA 1.430 22 residues pruned to eliminate duplicates Z: 30 14.007 1.821 0.334 0.371 0.931 0.448 CA 1.320 30 residues pruned to eliminate duplicates Z: 16 11.425 2.009 0.339 0.364 0.867 0.400 CA 1.465 16 residues pruned to eliminate duplicates Z: 16 10.167 2.018 0.298 0.429 0.733 0.467 CB 1.471 16 residues pruned to eliminate duplicates Z: 35 15.646 2.002 0.454 0.351 0.735 0.500 CA 1.473 35 residues pruned to eliminate duplicates Z: 30 14.630 2.006 0.348 0.387 0.828 0.483 CA 1.368 30 residues pruned to eliminate duplicates Z: 12 7.477 2.118 0.289 0.347 0.727 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 14 9.747 2.018 0.416 0.407 0.769 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 48 25.871 2.040 0.406 0.513 0.830 0.681 CB 1.566 48 residues pruned to eliminate duplicates Z: 16 9.176 1.998 0.292 0.336 0.867 0.467 CB 1.267 16 residues pruned to eliminate duplicates Z: 35 17.331 1.932 0.515 0.383 0.853 0.500 CA 1.349 35 residues pruned to eliminate duplicates Z: 21 10.001 2.001 0.300 0.253 0.800 0.300 CB 1.427 21 residues pruned to eliminate duplicates Z: 16 8.096 1.887 0.499 0.404 0.733 0.267 CB 1.115 16 residues pruned to eliminate duplicates Z: 11 8.215 2.067 0.486 0.364 0.800 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 12 6.313 2.018 0.325 0.320 0.636 0.455 CB 1.364 12 residues pruned to eliminate duplicates Z: 46 27.811 2.087 0.436 0.502 0.844 0.533 CB 1.634 46 residues pruned to eliminate duplicates Z: 22 13.008 2.087 0.400 0.345 0.714 0.476 CB 1.610 22 residues pruned to eliminate duplicates Z: 20 11.499 2.015 0.457 0.281 0.737 0.368 CB 1.561 20 residues pruned to eliminate duplicates Z: 24 7.562 1.809 0.325 0.242 0.783 0.348 CB 1.132 24 residues pruned to eliminate duplicates Z: 6 9.022 2.026 0.769 0.401 0.800 0.200 N 1.562 6 residues pruned to eliminate duplicates Z: 12 11.733 1.963 0.472 0.337 0.909 0.455 C 1.608 12 residues pruned to eliminate duplicates Z: 11 8.473 2.050 0.397 0.364 0.700 0.300 N 1.548 11 residues pruned to eliminate duplicates Z: 42 26.690 2.110 0.421 0.519 0.854 0.561 CB 1.598 42 residues pruned to eliminate duplicates Z: 33 27.497 2.055 0.400 0.562 0.938 0.594 CA 1.697 33 residues pruned to eliminate duplicates Z: 51 35.179 2.078 0.611 0.488 0.960 0.680 CB 1.566 31 residues pruned to eliminate duplicates Z: 20 20.542 2.029 0.438 0.749 0.947 0.789 CB 1.365 20 residues pruned to eliminate duplicates Z: 66 31.272 2.057 0.433 0.459 0.877 0.477 CB 1.565 66 residues pruned to eliminate duplicates Z: 19 18.723 2.110 0.380 0.721 0.833 0.722 CB 1.489 19 residues pruned to eliminate duplicates Z: 32 27.010 2.041 0.503 0.580 0.871 0.613 CA 1.682 32 residues pruned to eliminate duplicates Z: 31 29.654 2.102 0.455 0.612 0.933 0.667 CB 1.706 31 residues pruned to eliminate duplicates Z: 32 29.441 2.104 0.394 0.608 0.968 0.645 CB 1.682 32 residues pruned to eliminate duplicates Z: 31 26.347 2.045 0.517 0.582 0.867 0.567 CB 1.654 31 residues pruned to eliminate duplicates Z: 31 26.612 2.095 0.352 0.626 0.900 0.500 CB 1.692 31 residues pruned to eliminate duplicates Z: 31 29.902 2.090 0.547 0.609 0.900 0.667 CB 1.692 33 residues pruned to eliminate duplicates Z: 16 23.232 2.059 0.501 0.908 1.000 0.867 CB 1.378 16 residues pruned to eliminate duplicates Z: 25 29.646 2.099 0.601 0.717 0.958 0.750 CB 1.544 25 residues pruned to eliminate duplicates Z: 32 27.197 2.087 0.535 0.565 0.871 0.548 CB 1.643 32 residues pruned to eliminate duplicates Z: 44 31.999 1.972 0.589 0.563 0.884 0.581 CB 1.658 44 residues pruned to eliminate duplicates Z: 29 36.486 2.149 0.718 0.634 0.964 0.607 CA 1.707 29 residues pruned to eliminate duplicates Z: 32 29.881 2.040 0.622 0.549 0.935 0.548 CB 1.653 32 residues pruned to eliminate duplicates Z: 37 28.995 2.050 0.529 0.595 0.889 0.472 CB 1.584 37 residues pruned to eliminate duplicates Z: 30 24.932 1.973 0.667 0.553 0.897 0.414 CB 1.490 30 residues pruned to eliminate duplicates Z: 7 5.098 1.870 -0.010 0.515 0.833 0.667 CA 1.329 7 residues pruned to eliminate duplicates Z: 6 5.414 1.897 0.021 0.416 1.000 0.800 CA 1.364 6 residues pruned to eliminate duplicates Z: 35 23.939 2.101 0.547 0.464 0.882 0.618 CB 1.485 35 residues pruned to eliminate duplicates Z: 34 18.775 2.087 0.390 0.470 0.848 0.515 CB 1.369 34 residues pruned to eliminate duplicates Z: 34 20.627 2.080 0.583 0.366 0.879 0.545 CB 1.433 34 residues pruned to eliminate duplicates Z: 31 19.705 2.068 0.460 0.370 0.900 0.500 CB 1.522 31 residues pruned to eliminate duplicates Z: 13 8.708 1.942 0.325 0.424 0.917 0.417 CB 1.153 13 residues pruned to eliminate duplicates Z: 33 25.717 2.126 0.600 0.441 0.938 0.562 CB 1.514 33 residues pruned to eliminate duplicates Z: 17 18.809 2.122 0.704 0.353 1.000 0.562 CB 1.524 17 residues pruned to eliminate duplicates Z: 33 24.287 2.132 0.530 0.459 0.938 0.500 CB 1.465 33 residues pruned to eliminate duplicates Z: 28 22.618 2.180 0.515 0.455 0.963 0.630 CB 1.434 28 residues pruned to eliminate duplicates Z: 33 22.883 2.126 0.597 0.439 0.906 0.469 CB 1.401 33 residues pruned to eliminate duplicates Z: 26 20.616 2.181 0.408 0.452 0.960 0.600 CB 1.468 26 residues pruned to eliminate duplicates Z: 17 20.494 2.291 0.587 0.371 1.000 0.562 CB 1.617 17 residues pruned to eliminate duplicates Z: 30 21.731 2.062 0.611 0.448 0.931 0.621 CB 1.376 30 residues pruned to eliminate duplicates Z: 30 19.750 2.080 0.595 0.404 0.897 0.621 CB 1.364 30 residues pruned to eliminate duplicates Z: 26 22.079 2.181 0.638 0.358 0.960 0.520 CB 1.500 26 residues pruned to eliminate duplicates Z: 34 22.792 2.124 0.530 0.438 0.939 0.515 CB 1.385 34 residues pruned to eliminate duplicates Z: 29 22.130 2.122 0.685 0.342 0.964 0.571 CB 1.441 29 residues pruned to eliminate duplicates Z: 33 21.101 2.130 0.406 0.447 0.938 0.562 CB 1.403 33 residues pruned to eliminate duplicates Z: 33 24.042 2.132 0.525 0.421 0.938 0.500 CB 1.515 33 residues pruned to eliminate duplicates Z: 34 24.117 2.130 0.461 0.442 0.939 0.606 CB 1.524 34 residues pruned to eliminate duplicates Z: 34 24.331 2.143 0.529 0.436 0.909 0.606 CB 1.519 34 residues pruned to eliminate duplicates Z: 28 23.132 2.139 0.679 0.463 0.889 0.630 CB 1.449 28 residues pruned to eliminate duplicates Z: 53 23.906 2.013 0.551 0.416 0.827 0.404 CB 1.403 53 residues pruned to eliminate duplicates Z: 33 22.680 2.111 0.641 0.398 0.844 0.531 CB 1.527 33 residues pruned to eliminate duplicates Z: 33 24.992 2.074 0.699 0.462 0.875 0.594 CB 1.490 33 residues pruned to eliminate duplicates Z: 53 26.842 2.068 0.494 0.484 0.904 0.442 CB 1.355 53 residues pruned to eliminate duplicates Z: 77 34.381 2.095 0.567 0.482 0.803 0.408 CB 1.525 77 residues pruned to eliminate duplicates Z: 58 37.703 2.124 0.674 0.527 0.912 0.474 CB 1.499 58 residues pruned to eliminate duplicates Z: 20 15.626 1.943 0.879 0.474 0.789 0.421 CB 1.278 20 residues pruned to eliminate duplicates Z: 17 13.189 1.962 0.790 0.340 0.812 0.375 CB 1.376 17 residues pruned to eliminate duplicates Z: 17 13.249 2.064 0.697 0.423 0.750 0.438 CB 1.366 15 residues pruned to eliminate duplicates Z: 6 2.759 1.275 0.737 0.419 0.800 0.600 N 0.758 6 residues pruned to eliminate duplicates Z: 14 12.228 2.065 0.634 0.398 0.846 0.538 CB 1.323 15 residues pruned to eliminate duplicates Z: 6 4.789 1.385 0.987 0.255 1.000 0.400 C 1.031 6 residues pruned to eliminate duplicates Z: 16 12.394 2.077 0.534 0.436 0.867 0.533 CB 1.239 16 residues pruned to eliminate duplicates Z: 16 11.851 2.051 0.567 0.459 0.800 0.600 CB 1.242 16 residues pruned to eliminate duplicates Z: 9 9.710 2.117 0.671 0.252 0.875 0.375 CA 1.475 9 residues pruned to eliminate duplicates Z: 13 8.904 2.152 0.318 0.319 0.833 0.583 CB 1.327 13 residues pruned to eliminate duplicates Z: 10 10.777 2.095 0.540 0.291 0.889 0.556 CB 1.583 10 residues pruned to eliminate duplicates Z: 10 9.004 2.163 0.464 0.253 0.778 0.444 CB 1.618 10 residues pruned to eliminate duplicates Z: 62 29.071 1.955 0.594 0.521 0.902 0.574 CB 1.298 62 residues pruned to eliminate duplicates Z: 50 29.426 2.037 0.719 0.498 0.857 0.531 CB 1.403 50 residues pruned to eliminate duplicates Z: 17 22.456 2.022 0.801 0.702 0.875 0.500 CB 1.466 17 residues pruned to eliminate duplicates Z: 63 34.594 1.986 0.518 0.590 0.952 0.629 CB 1.405 65 residues pruned to eliminate duplicates Z: 15 26.323 2.150 0.509 0.930 1.000 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 31 17.398 1.881 0.542 0.572 0.933 0.467 CB 1.095 31 residues pruned to eliminate duplicates Z: 16 13.711 1.876 0.653 0.631 0.867 0.467 CB 1.165 16 residues pruned to eliminate duplicates Z: 53 36.688 1.992 0.802 0.523 0.962 0.538 CB 1.442 53 residues pruned to eliminate duplicates Z: 45 27.525 1.993 0.495 0.521 0.932 0.500 CB 1.464 45 residues pruned to eliminate duplicates Z: 35 27.406 2.041 0.552 0.658 0.912 0.618 CB 1.405 35 residues pruned to eliminate duplicates Z: 25 21.698 1.910 0.575 0.707 0.917 0.417 CB 1.331 25 residues pruned to eliminate duplicates Z: 29 24.008 1.994 0.566 0.671 0.929 0.536 CB 1.337 29 residues pruned to eliminate duplicates Z: 62 40.478 2.023 0.747 0.579 0.934 0.623 CB 1.455 44 residues pruned to eliminate duplicates Z: 21 29.048 2.045 0.546 0.915 1.000 0.550 CB 1.452 21 residues pruned to eliminate duplicates Z: 32 28.762 2.001 0.686 0.713 0.903 0.581 CB 1.398 32 residues pruned to eliminate duplicates Z: 36 24.573 1.978 0.635 0.608 0.857 0.486 CB 1.353 36 residues pruned to eliminate duplicates Z: 32 34.534 2.007 0.839 0.726 1.000 0.774 CB 1.370 32 residues pruned to eliminate duplicates Z: 53 29.846 1.992 0.600 0.481 0.904 0.577 CA 1.465 53 residues pruned to eliminate duplicates Z: 33 17.431 1.809 0.550 0.604 0.844 0.656 CB 1.180 32 residues pruned to eliminate duplicates Z: 23 28.196 2.032 0.719 0.770 0.909 0.500 CB 1.491 23 residues pruned to eliminate duplicates Z: 37 29.388 1.941 0.806 0.741 0.917 0.528 CB 1.228 37 residues pruned to eliminate duplicates Z: 34 28.427 1.972 0.646 0.653 1.000 0.636 CB 1.322 34 residues pruned to eliminate duplicates Z: 37 28.588 1.974 0.687 0.630 0.917 0.583 CB 1.382 37 residues pruned to eliminate duplicates Z: 31 22.742 1.888 0.564 0.619 0.967 0.533 CB 1.299 31 residues pruned to eliminate duplicates Z: 41 21.485 1.869 0.612 0.580 0.875 0.525 CB 1.193 41 residues pruned to eliminate duplicates Z: 11 5.526 1.730 0.489 0.305 0.700 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 20 13.430 1.680 0.673 0.574 0.842 0.579 CB 1.212 20 residues pruned to eliminate duplicates Z: 26 14.613 1.642 0.610 0.544 0.920 0.520 CB 1.150 26 residues pruned to eliminate duplicates Z: 21 14.009 1.758 0.617 0.540 0.900 0.600 CB 1.177 Z: 9 16.272 1.636 0.860 0.880 1.000 0.500 CA 1.370 9 residues pruned to eliminate duplicates Z: 17 12.425 1.741 0.448 0.668 1.000 0.750 CB 1.055 17 residues pruned to eliminate duplicates Z: 63 34.823 1.992 0.606 0.583 0.935 0.677 CB 1.364 63 residues pruned to eliminate duplicates Z: 51 34.188 1.965 0.766 0.679 0.920 0.640 CB 1.285 51 residues pruned to eliminate duplicates Z: 16 17.922 1.924 0.813 0.750 0.867 0.333 CB 1.225 16 residues pruned to eliminate duplicates Z: 29 18.365 1.729 0.736 0.485 0.929 0.393 CB 1.264 29 residues pruned to eliminate duplicates Z: 43 29.672 1.973 0.769 0.493 0.929 0.500 CA 1.423 64 residues pruned to eliminate duplicates Z: 12 6.708 1.907 0.341 0.293 0.909 0.364 CB 1.097 Z: 6 4.569 1.526 0.481 0.670 1.000 0.800 CA 0.772 Z: 52 33.273 2.009 0.729 0.557 0.902 0.588 CB 1.407 52 residues pruned to eliminate duplicates Z: 18 14.179 1.976 0.514 0.329 0.941 0.471 CA 1.474 Z: 13 12.293 2.012 0.684 0.234 0.917 0.417 CA 1.557 13 residues pruned to eliminate duplicates Z: 48 30.558 2.080 0.595 0.523 0.915 0.596 CA 1.436 48 residues pruned to eliminate duplicates Z: 16 12.794 1.940 0.709 0.408 0.800 0.667 CA 1.372 16 residues pruned to eliminate duplicates Z: 60 36.627 1.997 0.695 0.581 0.932 0.508 CB 1.399 50 residues pruned to eliminate duplicates Z: 6 5.151 1.529 0.733 0.346 0.800 0.600 CA 1.286 6 residues pruned to eliminate duplicates Z: 66 29.319 1.950 0.458 0.568 0.846 0.631 CA 1.415 66 residues pruned to eliminate duplicates Z: 14 17.557 2.112 0.814 0.436 0.846 0.692 CA 1.606 14 residues pruned to eliminate duplicates Z: 6 4.607 1.879 0.243 0.456 0.600 0.400 CA 1.538 6 residues pruned to eliminate duplicates Z: 31 15.293 1.959 0.290 0.403 0.900 0.533 CB 1.360 31 residues pruned to eliminate duplicates Z: 54 20.578 1.942 0.274 0.393 0.925 0.509 CA 1.384 54 residues pruned to eliminate duplicates Z: 6 6.141 1.662 0.171 0.593 1.000 0.400 N 1.291 6 residues pruned to eliminate duplicates Z: 31 17.206 1.922 0.348 0.415 1.000 0.600 CB 1.325 31 residues pruned to eliminate duplicates Z: 31 14.110 1.915 0.305 0.390 0.900 0.600 CB 1.286 31 residues pruned to eliminate duplicates Z: 30 16.407 1.954 0.327 0.444 0.931 0.517 CB 1.337 30 residues pruned to eliminate duplicates Z: 30 17.977 1.948 0.412 0.431 1.000 0.621 CB 1.304 30 residues pruned to eliminate duplicates Z: 6 4.872 1.841 0.439 0.279 0.800 0.200 CB 1.320 6 residues pruned to eliminate duplicates Z: 30 16.810 1.965 0.304 0.443 0.966 0.552 CB 1.338 30 residues pruned to eliminate duplicates Z: 30 17.020 1.973 0.368 0.437 0.931 0.586 CB 1.341 30 residues pruned to eliminate duplicates Z: 7 3.090 1.554 0.132 0.372 0.833 0.833 CB 0.986 7 residues pruned to eliminate duplicates Z: 30 18.634 1.948 0.435 0.429 0.966 0.552 CB 1.381 30 residues pruned to eliminate duplicates Z: 30 17.349 1.990 0.367 0.433 0.966 0.586 CB 1.315 30 residues pruned to eliminate duplicates Z: 32 16.304 1.933 0.283 0.420 1.000 0.548 CB 1.284 32 residues pruned to eliminate duplicates Z: 30 16.282 1.966 0.380 0.419 0.897 0.552 CB 1.352 30 residues pruned to eliminate duplicates Z: 31 17.156 1.951 0.393 0.443 0.933 0.533 CB 1.309 31 residues pruned to eliminate duplicates Z: 31 15.347 1.911 0.372 0.408 0.900 0.633 CB 1.308 31 residues pruned to eliminate duplicates Z: 21 15.924 1.948 0.479 0.494 0.900 0.550 CA 1.381 21 residues pruned to eliminate duplicates Z: 50 20.860 1.924 0.341 0.424 0.898 0.633 CA 1.392 50 residues pruned to eliminate duplicates Z: 6 4.431 1.473 0.493 0.310 1.000 0.400 CA 1.113 6 residues pruned to eliminate duplicates Z: 18 11.826 1.889 0.296 0.409 0.882 0.529 CA 1.460 18 residues pruned to eliminate duplicates Z: 13 14.590 2.008 0.329 0.550 1.000 0.583 CA 1.502 13 residues pruned to eliminate duplicates Z: 18 12.218 1.940 0.294 0.419 0.941 0.588 CA 1.365 18 residues pruned to eliminate duplicates 697 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 46 D: 9 E: 11 F: 26 G: 104 H: 7 I: 127 J: 19 K: 28 L: 21 M: 17 N: 63 O: 50 P: 7 Q: 145 CC for partial structure against native data = 25.10 % ------------------------------------------------------------------------------ Global autotracing cycle 20 = 0.300, Contrast = 0.386, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.445, Connect. = 0.709 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.546, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6758 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1279 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 13.228 1.940 0.430 0.381 0.842 0.632 CB 1.474 B: 25 13.622 1.936 0.582 0.275 0.875 0.542 CB 1.339 C: 41 18.595 1.937 0.330 0.432 0.875 0.650 CB 1.400 D: 18 26.957 2.094 0.638 0.905 0.941 0.824 CB 1.441 E: 17 31.803 2.069 0.815 0.905 0.938 0.750 CA 1.607 F: 7 4.781 1.782 0.449 0.423 0.667 0.500 CB 1.228 7 residues pruned to eliminate duplicates G: 19 27.108 2.135 0.360 0.875 1.000 0.556 CA 1.601 19 residues pruned to eliminate duplicates H: 18 23.194 1.999 0.588 0.890 0.941 0.765 CA 1.354 18 residues pruned to eliminate duplicates I: 26 22.416 2.141 0.466 0.407 0.960 0.520 CB 1.640 J: 19 33.608 2.281 0.692 0.911 0.944 0.889 CB 1.541 K: 13 11.881 1.980 0.402 0.469 0.917 0.500 CB 1.390 12 residues pruned to eliminate duplicates L: 8 7.390 1.628 0.434 0.842 0.857 0.857 CA 1.039 8 residues pruned to eliminate duplicates M: 63 29.557 2.044 0.502 0.437 0.855 0.532 CB 1.526 32 residues pruned to eliminate duplicates N: 10 6.661 1.847 0.052 0.524 0.889 0.444 CB 1.256 O: 20 35.247 2.251 0.699 0.907 1.000 0.789 CB 1.502 19 residues pruned to eliminate duplicates P: 7 10.032 1.981 0.463 0.622 0.833 0.500 CA 1.511 Q: 20 26.024 2.016 0.401 0.907 1.000 0.895 CB 1.503 18 residues pruned to eliminate duplicates R: 12 16.319 1.878 0.653 0.739 0.909 0.364 CA 1.408 10 residues pruned to eliminate duplicates S: 19 27.092 2.057 0.498 0.895 0.944 0.778 CB 1.574 17 residues pruned to eliminate duplicates T: 21 37.284 2.220 0.795 0.892 1.000 0.600 CB 1.503 21 residues pruned to eliminate duplicates U: 8 6.586 1.559 0.404 0.796 0.857 0.714 CA 1.023 8 residues pruned to eliminate duplicates V: 21 42.609 2.248 0.877 0.913 1.000 0.750 CB 1.598 20 residues pruned to eliminate duplicates W: 73 35.391 2.102 0.577 0.419 0.861 0.528 CB 1.590 57 residues pruned to eliminate duplicates X: 16 20.677 2.187 0.263 0.847 1.000 0.733 CB 1.435 16 residues pruned to eliminate duplicates Y: 21 41.412 2.177 0.929 0.909 1.000 0.800 CB 1.566 21 residues pruned to eliminate duplicates Z: 21 31.568 2.133 0.545 0.912 1.000 0.900 CB 1.517 21 residues pruned to eliminate duplicates Z: 21 38.929 2.246 0.690 0.918 1.000 0.950 CB 1.617 21 residues pruned to eliminate duplicates Z: 12 13.172 2.278 0.343 0.316 1.000 0.455 CB 1.590 Z: 11 15.338 2.106 0.593 0.818 1.000 0.500 CB 1.097 Z: 74 48.572 2.162 0.753 0.581 0.945 0.534 CB 1.468 33 residues pruned to eliminate duplicates Z: 30 14.856 1.980 0.230 0.456 0.966 0.586 CB 1.228 Z: 18 22.456 2.086 0.274 0.841 1.000 0.647 CB 1.528 18 residues pruned to eliminate duplicates Z: 27 16.619 1.988 0.408 0.414 0.962 0.692 CB 1.325 20 residues pruned to eliminate duplicates Z: 15 20.658 2.127 0.275 0.876 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 16 19.328 1.960 0.430 0.906 0.933 0.800 CB 1.357 16 residues pruned to eliminate duplicates Z: 8 6.356 1.581 0.313 0.883 1.000 1.000 CA 0.836 8 residues pruned to eliminate duplicates Z: 11 6.851 2.000 0.189 0.289 0.700 0.300 N 1.649 11 residues pruned to eliminate duplicates Z: 47 16.684 1.882 0.350 0.339 0.848 0.522 CA 1.361 Z: 9 12.034 1.786 0.299 0.827 1.000 0.625 CB 1.382 9 residues pruned to eliminate duplicates Z: 11 17.120 2.102 0.563 0.844 0.900 0.700 CB 1.362 11 residues pruned to eliminate duplicates Z: 18 36.237 2.299 0.643 0.895 1.000 0.882 CA 1.667 18 residues pruned to eliminate duplicates Z: 20 31.387 2.254 0.503 0.921 1.000 0.947 CB 1.496 20 residues pruned to eliminate duplicates Z: 21 35.065 2.198 0.664 0.894 1.000 0.900 CB 1.538 21 residues pruned to eliminate duplicates Z: 40 24.395 2.031 0.541 0.451 0.923 0.359 CB 1.421 11 residues pruned to eliminate duplicates Z: 14 23.173 2.157 0.723 0.841 0.923 0.462 CB 1.398 14 residues pruned to eliminate duplicates Z: 13 8.266 2.039 0.171 0.404 0.833 0.583 CB 1.326 11 residues pruned to eliminate duplicates Z: 11 13.245 1.923 0.578 0.812 0.800 0.400 CB 1.315 11 residues pruned to eliminate duplicates Z: 21 11.030 1.933 0.372 0.418 0.700 0.450 CB 1.447 15 residues pruned to eliminate duplicates Z: 10 13.128 1.706 0.509 0.872 1.000 0.778 CA 1.239 12 residues pruned to eliminate duplicates Z: 10 12.666 1.791 0.617 0.830 0.889 0.667 CA 1.233 10 residues pruned to eliminate duplicates Z: 65 35.004 1.997 0.684 0.587 0.891 0.547 CB 1.345 22 residues pruned to eliminate duplicates Z: 24 20.304 2.124 0.641 0.308 0.957 0.435 CA 1.572 25 residues pruned to eliminate duplicates Z: 74 51.606 2.184 0.811 0.602 0.973 0.589 CB 1.425 72 residues pruned to eliminate duplicates Z: 21 28.574 2.012 0.588 0.895 0.950 0.750 CB 1.509 19 residues pruned to eliminate duplicates Z: 7 6.558 2.306 -0.037 0.391 0.833 0.667 CB 1.625 7 residues pruned to eliminate duplicates Z: 17 19.625 2.135 0.188 0.860 1.000 0.750 CB 1.422 17 residues pruned to eliminate duplicates Z: 21 13.649 1.991 0.535 0.399 0.800 0.400 CB 1.390 19 residues pruned to eliminate duplicates Z: 10 5.548 1.776 0.192 0.395 0.778 0.667 CB 1.255 10 residues pruned to eliminate duplicates Z: 11 18.273 2.116 0.715 0.838 1.000 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 55 42.604 2.144 0.717 0.652 0.963 0.685 CB 1.419 50 residues pruned to eliminate duplicates Z: 30 14.559 1.973 0.432 0.367 0.793 0.517 CA 1.391 22 residues pruned to eliminate duplicates Z: 12 14.023 1.828 0.655 0.833 0.909 0.636 CA 1.154 15 residues pruned to eliminate duplicates Z: 18 22.697 2.084 0.414 0.877 0.882 0.706 CB 1.537 18 residues pruned to eliminate duplicates Z: 21 36.487 2.215 0.723 0.915 1.000 0.500 CB 1.510 21 residues pruned to eliminate duplicates Z: 19 10.126 1.830 0.475 0.332 0.778 0.389 CB 1.366 12 residues pruned to eliminate duplicates Z: 29 14.372 1.983 0.310 0.403 0.821 0.500 CA 1.409 29 residues pruned to eliminate duplicates Z: 10 11.182 1.782 0.376 0.819 1.000 0.778 CB 1.152 10 residues pruned to eliminate duplicates Z: 10 10.081 1.708 0.599 0.763 0.778 0.556 CA 1.253 10 residues pruned to eliminate duplicates Z: 7 9.060 1.702 0.288 0.888 1.000 1.000 CB 1.216 7 residues pruned to eliminate duplicates Z: 13 7.955 1.757 0.332 0.493 0.833 0.417 CB 1.185 13 residues pruned to eliminate duplicates Z: 17 11.074 1.888 0.421 0.444 0.875 0.625 CB 1.250 17 residues pruned to eliminate duplicates Z: 23 13.031 1.948 0.317 0.406 0.864 0.500 CB 1.383 Z: 16 19.175 2.083 0.448 0.904 1.000 0.667 CB 1.170 16 residues pruned to eliminate duplicates Z: 18 15.660 2.016 0.588 0.424 0.824 0.588 CA 1.560 17 residues pruned to eliminate duplicates Z: 34 18.959 1.959 0.468 0.400 0.909 0.424 CA 1.402 34 residues pruned to eliminate duplicates Z: 25 10.978 1.849 0.193 0.395 0.833 0.458 CB 1.362 25 residues pruned to eliminate duplicates Z: 38 26.795 1.984 0.826 0.495 0.892 0.595 CA 1.369 15 residues pruned to eliminate duplicates Z: 22 29.537 1.949 0.491 0.923 1.000 0.762 CA 1.560 22 residues pruned to eliminate duplicates Z: 23 33.189 1.897 0.760 0.929 1.000 0.955 CB 1.483 23 residues pruned to eliminate duplicates Z: 20 34.094 2.093 0.641 0.896 1.000 0.842 CA 1.631 20 residues pruned to eliminate duplicates Z: 23 11.994 1.976 0.571 0.275 0.864 0.545 CB 1.231 23 residues pruned to eliminate duplicates Z: 17 13.747 2.086 0.554 0.423 0.812 0.438 CB 1.413 17 residues pruned to eliminate duplicates Z: 10 10.509 1.889 0.549 0.841 0.889 0.667 CB 1.005 10 residues pruned to eliminate duplicates Z: 28 10.168 1.909 0.188 0.324 0.815 0.481 CB 1.285 14 residues pruned to eliminate duplicates Z: 11 15.802 2.068 0.536 0.863 1.000 0.800 CB 1.154 12 residues pruned to eliminate duplicates Z: 31 20.137 2.037 0.361 0.483 0.933 0.467 CA 1.445 27 residues pruned to eliminate duplicates Z: 36 17.486 1.930 0.239 0.455 0.914 0.543 CA 1.416 37 residues pruned to eliminate duplicates Z: 32 26.625 2.037 0.655 0.486 0.968 0.613 CB 1.486 32 residues pruned to eliminate duplicates Z: 33 10.467 1.836 0.370 0.319 0.750 0.531 CB 1.198 33 residues pruned to eliminate duplicates Z: 52 33.196 1.950 0.660 0.676 0.941 0.608 CB 1.297 52 residues pruned to eliminate duplicates Z: 28 20.761 2.135 0.540 0.392 0.926 0.519 CB 1.472 28 residues pruned to eliminate duplicates Z: 11 17.440 2.088 0.572 0.867 1.000 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 18 17.555 2.017 0.801 0.417 0.882 0.529 CB 1.448 18 residues pruned to eliminate duplicates Z: 10 8.071 1.739 0.473 0.478 0.889 0.889 CA 1.209 Z: 21 17.825 1.937 0.320 0.787 0.900 0.700 CB 1.346 21 residues pruned to eliminate duplicates Z: 32 36.326 2.176 0.649 0.694 1.000 0.806 CB 1.523 32 residues pruned to eliminate duplicates Z: 10 5.360 1.898 0.101 0.537 0.778 0.556 CB 1.060 10 residues pruned to eliminate duplicates Z: 22 27.845 1.955 0.528 0.890 0.952 0.619 CA 1.536 22 residues pruned to eliminate duplicates Z: 8 8.958 1.782 0.493 0.763 0.857 0.714 CB 1.175 8 residues pruned to eliminate duplicates Z: 11 13.129 2.137 0.113 0.913 1.000 0.900 CB 1.235 11 residues pruned to eliminate duplicates Z: 12 13.111 2.053 0.335 0.492 0.909 0.727 CB 1.600 12 residues pruned to eliminate duplicates Z: 18 10.299 1.927 0.207 0.366 0.882 0.588 CB 1.406 10 residues pruned to eliminate duplicates Z: 18 23.551 2.085 0.291 0.914 1.000 1.000 CA 1.501 18 residues pruned to eliminate duplicates Z: 24 16.672 1.983 0.448 0.505 0.913 0.565 CA 1.319 10 residues pruned to eliminate duplicates Z: 11 14.134 2.063 0.463 0.847 0.900 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 32 16.092 1.923 0.326 0.441 0.935 0.677 CB 1.288 30 residues pruned to eliminate duplicates Z: 31 16.358 1.986 0.462 0.349 0.867 0.500 CB 1.398 31 residues pruned to eliminate duplicates Z: 7 7.365 1.791 0.422 0.563 0.833 0.500 C 1.333 Z: 34 21.347 1.920 0.432 0.596 0.848 0.667 CB 1.453 34 residues pruned to eliminate duplicates Z: 12 11.531 1.778 0.746 0.439 0.818 0.636 CB 1.459 Z: 17 33.723 2.231 1.153 0.888 0.938 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 23 19.901 1.818 0.346 0.867 1.000 0.818 CA 1.268 23 residues pruned to eliminate duplicates Z: 12 16.752 2.090 0.614 0.789 0.909 0.909 CB 1.277 12 residues pruned to eliminate duplicates Z: 7 10.662 2.154 0.294 0.853 0.833 0.500 CB 1.386 7 residues pruned to eliminate duplicates Z: 31 16.992 1.943 0.417 0.428 0.900 0.600 CB 1.349 31 residues pruned to eliminate duplicates Z: 19 24.531 2.054 0.785 0.836 0.889 0.722 CB 1.328 19 residues pruned to eliminate duplicates Z: 11 6.292 1.927 0.526 0.322 0.600 0.500 CB 1.371 Z: 24 12.076 1.921 0.264 0.456 0.870 0.565 CA 1.247 21 residues pruned to eliminate duplicates Z: 40 23.347 2.032 0.600 0.321 0.897 0.487 CB 1.561 28 residues pruned to eliminate duplicates Z: 17 11.499 2.031 0.429 0.370 0.812 0.438 CA 1.402 19 residues pruned to eliminate duplicates Z: 9 14.427 2.039 0.356 0.869 1.000 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 52 41.696 2.148 0.752 0.643 0.941 0.569 CB 1.441 52 residues pruned to eliminate duplicates Z: 37 35.150 2.153 0.703 0.658 0.917 0.611 CB 1.505 37 residues pruned to eliminate duplicates Z: 21 34.989 1.980 1.026 0.919 1.000 0.500 CB 1.374 21 residues pruned to eliminate duplicates Z: 10 8.340 1.833 0.308 0.552 0.778 0.667 CA 1.417 10 residues pruned to eliminate duplicates Z: 10 6.315 1.729 0.779 0.340 0.778 0.444 CA 1.048 10 residues pruned to eliminate duplicates Z: 7 3.681 1.491 0.165 0.349 0.833 0.333 CB 1.222 Z: 15 11.347 1.897 0.331 0.479 0.929 0.571 CA 1.320 7 residues pruned to eliminate duplicates Z: 16 19.999 2.113 0.483 0.858 0.933 0.533 CB 1.300 16 residues pruned to eliminate duplicates Z: 21 29.373 2.014 0.579 0.916 1.000 0.800 CA 1.458 22 residues pruned to eliminate duplicates Z: 15 9.915 1.764 0.508 0.452 0.929 0.786 CB 1.127 16 residues pruned to eliminate duplicates Z: 15 13.200 2.056 0.732 0.377 0.786 0.500 CA 1.437 15 residues pruned to eliminate duplicates Z: 13 16.293 2.049 0.217 0.878 1.000 0.917 CB 1.368 13 residues pruned to eliminate duplicates Z: 19 11.465 1.899 0.324 0.429 0.944 0.722 CB 1.226 7 residues pruned to eliminate duplicates Z: 12 20.178 2.030 0.561 0.907 1.000 0.818 CA 1.365 12 residues pruned to eliminate duplicates Z: 30 23.689 2.011 0.741 0.488 0.966 0.552 CB 1.317 30 residues pruned to eliminate duplicates Z: 23 12.404 1.962 0.725 0.254 0.818 0.455 CB 1.267 23 residues pruned to eliminate duplicates Z: 30 16.992 1.900 0.487 0.432 0.862 0.621 CA 1.390 Z: 14 7.424 1.896 0.092 0.468 0.846 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 11 11.553 1.808 0.545 0.482 0.900 0.400 CB 1.479 11 residues pruned to eliminate duplicates Z: 28 13.548 2.023 0.411 0.319 0.815 0.519 CB 1.369 29 residues pruned to eliminate duplicates Z: 11 5.208 1.682 0.510 0.280 0.700 0.400 N 1.188 11 residues pruned to eliminate duplicates Z: 11 7.996 1.990 0.206 0.434 0.800 0.700 CB 1.410 11 residues pruned to eliminate duplicates Z: 63 38.707 2.032 0.641 0.567 0.919 0.597 CA 1.503 38 residues pruned to eliminate duplicates Z: 6 3.246 1.756 0.012 0.520 0.800 0.600 CA 1.001 Z: 39 28.169 2.057 0.639 0.497 0.921 0.579 CB 1.476 35 residues pruned to eliminate duplicates Z: 11 10.614 1.951 0.321 0.476 1.000 0.500 CA 1.335 11 residues pruned to eliminate duplicates Z: 34 27.622 1.972 0.671 0.640 0.970 0.788 CA 1.320 34 residues pruned to eliminate duplicates Z: 15 11.708 1.902 0.331 0.522 0.929 0.571 CB 1.302 15 residues pruned to eliminate duplicates Z: 6 2.952 1.507 0.848 0.321 0.600 0.600 CA 0.962 Z: 13 11.787 1.949 0.516 0.487 0.833 0.500 CA 1.399 6 residues pruned to eliminate duplicates Z: 10 8.898 1.824 0.395 0.514 0.778 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 10 6.131 1.888 0.488 0.544 0.778 0.667 CB 0.896 10 residues pruned to eliminate duplicates Z: 9 7.700 1.835 0.492 0.539 0.875 0.500 CA 1.093 9 residues pruned to eliminate duplicates Z: 20 39.347 2.295 0.803 0.912 1.000 0.474 CB 1.545 20 residues pruned to eliminate duplicates Z: 8 7.535 1.508 0.505 0.829 0.857 0.857 CB 1.102 8 residues pruned to eliminate duplicates Z: 6 5.554 1.634 0.306 0.653 1.000 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 14 8.241 1.925 0.528 0.256 0.769 0.462 CA 1.337 14 residues pruned to eliminate duplicates Z: 10 5.139 1.677 0.477 0.374 0.778 0.333 CA 1.017 9 residues pruned to eliminate duplicates Z: 26 21.602 2.114 0.626 0.446 0.920 0.640 CB 1.444 26 residues pruned to eliminate duplicates Z: 22 34.976 2.147 0.821 0.896 0.952 0.476 CB 1.469 22 residues pruned to eliminate duplicates Z: 30 18.026 1.969 0.596 0.405 0.862 0.586 CA 1.364 29 residues pruned to eliminate duplicates Z: 21 20.976 1.994 0.383 0.884 0.950 0.850 CA 1.294 21 residues pruned to eliminate duplicates Z: 42 20.522 1.863 0.678 0.428 0.805 0.439 CB 1.372 16 residues pruned to eliminate duplicates Z: 28 16.801 2.000 0.703 0.394 0.741 0.444 CB 1.434 28 residues pruned to eliminate duplicates Z: 8 8.416 1.854 0.406 0.560 0.857 0.714 CA 1.342 5 residues pruned to eliminate duplicates Z: 16 8.271 1.958 0.310 0.359 0.733 0.600 CB 1.321 16 residues pruned to eliminate duplicates Z: 10 7.213 1.952 0.193 0.523 0.778 0.667 CA 1.297 10 residues pruned to eliminate duplicates Z: 8 8.614 2.098 0.218 0.528 0.857 0.571 CA 1.447 8 residues pruned to eliminate duplicates Z: 28 18.459 2.000 0.321 0.455 0.926 0.630 CB 1.521 28 residues pruned to eliminate duplicates Z: 7 6.508 1.825 0.227 0.532 0.833 0.500 N 1.381 7 residues pruned to eliminate duplicates Z: 21 16.093 2.038 0.561 0.437 0.850 0.600 CB 1.420 21 residues pruned to eliminate duplicates Z: 7 5.023 1.831 0.196 0.450 0.667 0.667 CB 1.478 7 residues pruned to eliminate duplicates Z: 19 12.608 2.017 0.647 0.232 0.833 0.389 CB 1.466 19 residues pruned to eliminate duplicates Z: 16 25.161 2.149 0.605 0.876 1.000 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 63 37.691 2.043 0.600 0.586 0.903 0.661 CA 1.493 63 residues pruned to eliminate duplicates Z: 6 7.800 1.957 0.389 0.661 1.000 0.600 CB 1.105 6 residues pruned to eliminate duplicates Z: 15 10.508 1.864 0.347 0.417 0.857 0.643 CA 1.423 15 residues pruned to eliminate duplicates Z: 79 37.187 2.042 0.449 0.537 0.936 0.628 CA 1.465 81 residues pruned to eliminate duplicates Z: 6 8.603 1.930 0.673 0.714 1.000 0.800 CB 0.981 6 residues pruned to eliminate duplicates Z: 9 11.561 1.826 0.773 0.877 0.875 0.500 CA 1.048 10 residues pruned to eliminate duplicates Z: 19 10.432 1.949 0.127 0.438 0.833 0.667 CB 1.433 19 residues pruned to eliminate duplicates Z: 34 16.429 1.985 0.471 0.329 0.788 0.515 CB 1.500 34 residues pruned to eliminate duplicates Z: 13 6.621 1.802 0.215 0.318 0.667 0.500 O 1.601 13 residues pruned to eliminate duplicates Z: 6 9.980 1.748 0.512 0.677 1.000 0.800 CA 1.435 6 residues pruned to eliminate duplicates Z: 13 8.463 1.826 0.873 0.439 0.750 0.750 CA 1.014 13 residues pruned to eliminate duplicates Z: 29 20.119 2.007 0.540 0.411 0.964 0.679 CA 1.400 29 residues pruned to eliminate duplicates Z: 25 12.392 1.783 0.448 0.318 0.875 0.500 CB 1.370 17 residues pruned to eliminate duplicates Z: 30 14.918 1.850 0.273 0.486 0.897 0.655 CB 1.330 30 residues pruned to eliminate duplicates Z: 20 13.724 2.008 0.523 0.372 0.789 0.474 CA 1.496 20 residues pruned to eliminate duplicates Z: 29 19.735 2.108 0.619 0.342 0.893 0.429 CB 1.455 29 residues pruned to eliminate duplicates Z: 20 38.406 2.275 0.703 0.915 1.000 0.895 CB 1.607 20 residues pruned to eliminate duplicates Z: 11 9.263 1.801 0.578 0.437 0.900 0.500 CB 1.223 Z: 29 20.870 2.023 0.531 0.454 0.893 0.393 CB 1.494 29 residues pruned to eliminate duplicates Z: 15 11.437 1.973 0.425 0.502 0.786 0.571 CA 1.381 15 residues pruned to eliminate duplicates Z: 9 7.103 1.536 0.493 0.887 1.000 0.750 CA 0.789 9 residues pruned to eliminate duplicates Z: 9 10.050 1.863 0.423 0.814 0.875 0.500 CB 1.166 9 residues pruned to eliminate duplicates Z: 9 13.101 1.729 0.522 0.838 1.000 0.625 CA 1.315 9 residues pruned to eliminate duplicates Z: 6 8.522 2.051 0.396 0.687 1.000 0.800 CB 1.121 6 residues pruned to eliminate duplicates Z: 9 7.135 1.917 0.084 0.428 0.875 0.500 CB 1.494 9 residues pruned to eliminate duplicates Z: 13 10.584 2.135 0.438 0.403 0.750 0.583 CB 1.470 13 residues pruned to eliminate duplicates Z: 12 15.811 2.109 0.402 0.517 1.000 0.636 CA 1.585 12 residues pruned to eliminate duplicates Z: 7 3.824 1.671 0.693 0.591 0.833 0.500 CB 0.607 Z: 15 14.995 1.989 0.740 0.445 0.929 0.571 CB 1.319 11 residues pruned to eliminate duplicates Z: 23 10.251 1.862 0.357 0.432 0.773 0.409 CB 1.201 23 residues pruned to eliminate duplicates Z: 16 18.947 1.978 0.374 0.846 0.933 0.867 CA 1.433 16 residues pruned to eliminate duplicates Z: 19 37.007 2.165 0.773 0.931 1.000 0.944 CA 1.588 19 residues pruned to eliminate duplicates Z: 32 33.230 2.197 0.608 0.694 0.968 0.645 CB 1.463 32 residues pruned to eliminate duplicates Z: 20 23.183 1.982 0.449 0.887 0.947 0.789 CB 1.409 Z: 20 28.732 2.106 0.618 0.920 0.947 0.579 CB 1.439 20 residues pruned to eliminate duplicates Z: 17 9.244 1.854 0.346 0.449 0.812 0.250 CB 1.201 17 residues pruned to eliminate duplicates Z: 20 19.240 1.946 0.301 0.819 0.947 0.842 CB 1.396 20 residues pruned to eliminate duplicates Z: 9 17.699 1.865 0.789 0.916 1.000 0.750 CA 1.324 9 residues pruned to eliminate duplicates Z: 19 28.989 2.121 0.344 0.910 1.000 0.889 CA 1.701 19 residues pruned to eliminate duplicates Z: 21 33.795 2.201 0.572 0.922 1.000 0.850 CB 1.536 21 residues pruned to eliminate duplicates Z: 14 5.000 1.778 0.339 0.325 0.615 0.538 CB 1.147 11 residues pruned to eliminate duplicates Z: 17 15.415 2.005 0.233 0.840 0.938 0.438 CB 1.240 17 residues pruned to eliminate duplicates Z: 16 9.513 1.704 0.369 0.373 0.933 0.533 CB 1.292 16 residues pruned to eliminate duplicates Z: 17 6.865 1.770 0.279 0.375 0.750 0.562 CB 1.156 17 residues pruned to eliminate duplicates Z: 11 12.949 2.044 0.504 0.767 0.800 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 13 20.267 2.064 0.723 0.912 0.917 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 10 5.547 1.709 0.359 0.409 0.778 0.667 CA 1.126 10 residues pruned to eliminate duplicates Z: 8 10.796 1.665 0.521 0.834 1.000 0.571 CA 1.207 8 residues pruned to eliminate duplicates Z: 14 13.555 2.009 0.738 0.439 0.846 0.615 CB 1.355 14 residues pruned to eliminate duplicates Z: 14 14.549 2.036 0.572 0.499 0.846 0.692 CA 1.492 14 residues pruned to eliminate duplicates Z: 10 12.216 1.820 0.307 0.839 1.000 0.667 CB 1.279 10 residues pruned to eliminate duplicates Z: 18 18.682 2.062 0.591 0.531 0.882 0.706 CA 1.518 18 residues pruned to eliminate duplicates Z: 49 30.584 1.958 0.638 0.596 0.958 0.646 CB 1.310 50 residues pruned to eliminate duplicates Z: 32 18.179 1.902 0.460 0.449 0.871 0.645 CA 1.422 32 residues pruned to eliminate duplicates Z: 13 21.990 2.234 0.659 0.865 0.917 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 40 17.988 1.933 0.353 0.434 0.872 0.564 CB 1.352 40 residues pruned to eliminate duplicates Z: 8 3.712 1.614 0.125 0.422 0.714 0.286 CB 1.173 8 residues pruned to eliminate duplicates Z: 20 27.374 2.029 0.538 0.889 0.947 0.579 CB 1.529 20 residues pruned to eliminate duplicates Z: 6 6.802 1.541 0.475 0.791 1.000 0.800 CB 1.037 Z: 19 11.429 1.922 0.316 0.475 0.833 0.556 CB 1.311 22 residues pruned to eliminate duplicates Z: 74 45.303 2.146 0.737 0.546 0.932 0.493 CB 1.460 74 residues pruned to eliminate duplicates Z: 7 4.454 1.658 0.201 0.379 0.833 0.333 C 1.246 Z: 7 8.530 1.742 0.253 0.664 1.000 0.500 CB 1.370 Z: 15 10.234 1.965 0.223 0.413 1.000 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 14 11.884 1.914 0.571 0.428 0.846 0.769 CB 1.397 26 residues pruned to eliminate duplicates Z: 21 43.694 2.231 0.928 0.913 1.000 0.600 CB 1.608 21 residues pruned to eliminate duplicates Z: 11 5.705 1.704 0.651 0.373 0.600 0.300 CA 1.224 11 residues pruned to eliminate duplicates Z: 27 14.796 1.941 0.344 0.423 0.885 0.615 CB 1.362 27 residues pruned to eliminate duplicates Z: 7 2.152 1.503 0.159 0.315 0.667 0.500 CB 0.929 7 residues pruned to eliminate duplicates Z: 36 17.088 1.922 0.238 0.436 0.914 0.571 CA 1.419 36 residues pruned to eliminate duplicates Z: 29 13.904 1.879 0.412 0.431 0.929 0.607 CB 1.146 29 residues pruned to eliminate duplicates Z: 22 36.425 2.166 0.810 0.926 1.000 0.857 CB 1.421 22 residues pruned to eliminate duplicates Z: 13 26.130 2.071 0.695 0.876 1.000 0.500 CB 1.562 Z: 17 12.725 2.017 0.468 0.436 0.875 0.688 CB 1.311 17 residues pruned to eliminate duplicates Z: 8 9.310 1.753 0.708 0.595 0.857 0.571 CA 1.251 9 residues pruned to eliminate duplicates Z: 8 9.642 1.529 0.368 0.816 1.000 0.857 N 1.324 6 residues pruned to eliminate duplicates Z: 7 9.054 2.049 0.216 0.833 0.833 0.667 CB 1.336 7 residues pruned to eliminate duplicates Z: 15 13.904 1.904 0.497 0.573 0.929 0.714 CB 1.308 15 residues pruned to eliminate duplicates Z: 9 11.008 1.962 0.568 0.465 0.875 0.625 CA 1.498 9 residues pruned to eliminate duplicates Z: 6 6.187 1.574 0.905 0.649 0.800 0.600 CA 1.004 Z: 20 8.628 1.791 0.392 0.361 0.789 0.526 CB 1.169 Z: 11 7.477 2.069 0.260 0.362 0.900 0.400 CB 1.169 11 residues pruned to eliminate duplicates Z: 14 20.320 2.038 0.512 0.869 0.923 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 97 42.095 2.017 0.534 0.525 0.938 0.594 CA 1.445 98 residues pruned to eliminate duplicates Z: 36 19.405 1.939 0.425 0.485 0.886 0.657 CB 1.360 36 residues pruned to eliminate duplicates Z: 36 16.772 1.866 0.360 0.391 0.857 0.457 CA 1.464 36 residues pruned to eliminate duplicates Z: 21 29.434 1.991 0.753 0.855 0.950 0.400 CA 1.465 21 residues pruned to eliminate duplicates Z: 19 32.860 2.026 0.779 0.911 1.000 0.778 CB 1.523 19 residues pruned to eliminate duplicates Z: 6 5.172 1.848 0.021 0.621 1.000 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 13 8.708 1.912 0.291 0.381 0.917 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 15 11.890 1.818 0.669 0.526 0.857 0.500 CB 1.192 15 residues pruned to eliminate duplicates Z: 11 5.744 1.669 0.264 0.536 0.900 0.500 CB 0.924 Z: 8 4.337 1.578 0.120 0.586 0.857 0.571 CB 0.997 Z: 18 15.740 1.876 0.651 0.714 0.941 0.882 CB 1.078 18 residues pruned to eliminate duplicates Z: 27 16.808 1.998 0.225 0.436 0.962 0.615 CA 1.497 27 residues pruned to eliminate duplicates Z: 12 14.880 2.062 0.662 0.844 1.000 0.545 CB 0.974 12 residues pruned to eliminate duplicates Z: 18 11.626 1.925 0.474 0.400 0.882 0.471 CB 1.252 17 residues pruned to eliminate duplicates Z: 19 9.132 1.774 0.550 0.366 0.722 0.389 CA 1.251 19 residues pruned to eliminate duplicates Z: 32 29.672 2.072 0.673 0.608 0.968 0.774 CB 1.433 32 residues pruned to eliminate duplicates Z: 7 3.874 1.618 0.462 0.248 0.667 0.500 N 1.341 Z: 21 29.053 1.986 0.697 0.880 0.950 0.600 CB 1.470 34 residues pruned to eliminate duplicates Z: 11 8.019 1.724 0.408 0.665 1.000 0.900 CB 0.896 11 residues pruned to eliminate duplicates Z: 6 4.116 1.510 -0.002 0.856 1.000 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 10 6.761 1.904 0.447 0.342 0.778 0.556 CA 1.248 10 residues pruned to eliminate duplicates Z: 6 7.556 1.811 0.148 0.600 1.000 0.400 CB 1.477 6 residues pruned to eliminate duplicates Z: 10 8.139 1.850 0.662 0.514 0.778 0.667 CA 1.119 10 residues pruned to eliminate duplicates Z: 26 13.963 2.054 0.310 0.354 0.840 0.440 CA 1.446 26 residues pruned to eliminate duplicates Z: 9 9.580 1.703 0.275 0.667 0.875 0.750 CA 1.527 9 residues pruned to eliminate duplicates Z: 9 4.975 1.466 0.416 0.372 0.875 0.625 N 1.111 Z: 16 7.401 1.707 0.410 0.471 0.800 0.600 CB 1.022 16 residues pruned to eliminate duplicates Z: 21 35.276 1.987 0.984 0.919 1.000 0.500 CB 1.410 21 residues pruned to eliminate duplicates Z: 32 16.775 1.895 0.348 0.424 0.871 0.581 CA 1.466 32 residues pruned to eliminate duplicates Z: 11 15.487 2.012 0.647 0.869 1.000 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 21 32.873 2.026 0.878 0.932 0.950 0.650 CB 1.420 21 residues pruned to eliminate duplicates Z: 8 9.807 1.996 -0.048 0.822 1.000 0.714 CA 1.474 Z: 24 19.234 1.993 0.461 0.496 0.957 0.609 CB 1.445 24 residues pruned to eliminate duplicates Z: 7 10.085 1.845 0.617 0.871 1.000 1.000 CB 1.007 7 residues pruned to eliminate duplicates Z: 8 10.436 1.891 0.180 0.874 1.000 1.000 CB 1.286 8 residues pruned to eliminate duplicates Z: 13 21.847 2.166 0.724 0.858 0.917 0.500 CB 1.357 13 residues pruned to eliminate duplicates Z: 10 9.074 1.891 0.479 0.539 0.889 0.556 CA 1.171 10 residues pruned to eliminate duplicates Z: 28 13.244 1.814 0.313 0.500 0.815 0.593 CA 1.314 28 residues pruned to eliminate duplicates Z: 27 18.795 1.938 0.542 0.474 0.923 0.577 CA 1.371 25 residues pruned to eliminate duplicates Z: 18 11.013 1.837 0.295 0.393 0.941 0.647 CA 1.335 18 residues pruned to eliminate duplicates Z: 24 19.335 2.011 0.511 0.614 0.957 0.522 CB 1.246 24 residues pruned to eliminate duplicates Z: 11 4.753 1.770 0.405 0.478 0.800 0.400 CB 0.772 11 residues pruned to eliminate duplicates Z: 22 10.869 1.860 0.323 0.377 0.810 0.524 CB 1.358 22 residues pruned to eliminate duplicates Z: 20 31.929 2.222 0.903 0.921 0.895 0.632 CB 1.362 20 residues pruned to eliminate duplicates Z: 10 7.143 1.780 0.482 0.497 0.778 0.556 CA 1.164 10 residues pruned to eliminate duplicates Z: 32 16.130 1.890 0.338 0.430 0.871 0.452 CA 1.416 33 residues pruned to eliminate duplicates Z: 27 13.341 1.960 0.315 0.400 0.846 0.538 CB 1.333 27 residues pruned to eliminate duplicates Z: 17 9.737 1.897 0.196 0.488 0.812 0.625 CA 1.336 17 residues pruned to eliminate duplicates Z: 44 17.021 1.871 0.402 0.364 0.860 0.535 CA 1.332 44 residues pruned to eliminate duplicates Z: 19 8.434 1.866 0.221 0.335 0.778 0.389 CB 1.343 19 residues pruned to eliminate duplicates Z: 12 5.920 1.738 0.172 0.420 0.727 0.545 CA 1.309 12 residues pruned to eliminate duplicates Z: 6 3.827 1.978 -0.296 0.575 0.800 0.800 CB 1.431 6 residues pruned to eliminate duplicates Z: 10 5.871 1.763 0.265 0.443 0.778 0.444 CB 1.196 10 residues pruned to eliminate duplicates Z: 9 13.489 1.850 0.620 0.828 1.000 0.625 CA 1.198 9 residues pruned to eliminate duplicates Z: 17 30.057 2.200 0.719 0.911 0.938 0.562 CB 1.502 17 residues pruned to eliminate duplicates Z: 14 10.344 1.979 0.261 0.493 1.000 0.769 CB 1.157 14 residues pruned to eliminate duplicates Z: 29 17.943 2.122 0.508 0.343 0.857 0.464 CB 1.465 29 residues pruned to eliminate duplicates Z: 6 4.187 1.678 0.200 0.408 1.000 0.600 CB 1.024 Z: 44 21.778 1.931 0.390 0.453 0.977 0.558 CB 1.329 44 residues pruned to eliminate duplicates Z: 6 3.694 1.418 0.185 0.611 1.000 0.800 CB 0.885 Z: 7 4.628 1.731 0.582 0.384 1.000 0.500 CB 0.780 7 residues pruned to eliminate duplicates Z: 17 10.059 1.825 0.243 0.427 0.875 0.562 CB 1.368 17 residues pruned to eliminate duplicates Z: 22 16.474 2.044 0.647 0.333 0.905 0.619 CA 1.417 22 residues pruned to eliminate duplicates Z: 7 3.641 1.942 0.163 0.654 0.833 0.667 CB 0.684 7 residues pruned to eliminate duplicates Z: 12 6.485 1.670 0.514 0.402 0.818 0.545 N 1.048 12 residues pruned to eliminate duplicates Z: 17 9.834 1.847 0.254 0.374 0.875 0.375 CB 1.387 17 residues pruned to eliminate duplicates Z: 18 11.520 1.893 0.442 0.450 0.824 0.647 CB 1.308 18 residues pruned to eliminate duplicates Z: 14 11.842 1.956 0.292 0.402 1.000 0.385 CB 1.440 8 residues pruned to eliminate duplicates Z: 9 3.222 1.518 0.278 0.436 0.750 0.625 CB 0.836 9 residues pruned to eliminate duplicates Z: 21 26.841 1.927 0.672 0.909 0.950 0.800 CA 1.392 21 residues pruned to eliminate duplicates Z: 9 6.530 1.889 0.120 0.362 0.875 0.625 CB 1.447 9 residues pruned to eliminate duplicates Z: 10 12.516 2.007 0.452 0.507 1.000 0.889 CA 1.421 10 residues pruned to eliminate duplicates Z: 21 10.743 1.875 0.270 0.399 0.850 0.550 CB 1.321 21 residues pruned to eliminate duplicates Z: 7 6.759 1.801 0.432 0.665 0.833 0.833 CB 1.102 6 residues pruned to eliminate duplicates Z: 14 11.924 1.966 0.362 0.476 0.846 0.692 CA 1.495 21 residues pruned to eliminate duplicates Z: 25 16.297 1.975 0.476 0.408 0.833 0.542 CA 1.507 14 residues pruned to eliminate duplicates Z: 21 13.131 1.898 0.490 0.486 0.800 0.650 CB 1.316 21 residues pruned to eliminate duplicates Z: 12 9.644 1.968 0.175 0.446 0.909 0.636 CB 1.463 12 residues pruned to eliminate duplicates Z: 19 11.085 1.747 0.357 0.520 0.889 0.556 CB 1.215 19 residues pruned to eliminate duplicates Z: 6 6.522 1.825 0.795 0.479 0.800 0.600 CB 1.137 6 residues pruned to eliminate duplicates Z: 9 6.328 1.764 0.007 0.590 1.000 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 14 8.483 1.923 0.245 0.436 0.846 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 8 8.782 1.472 0.472 0.828 1.000 0.857 CB 1.154 Z: 74 43.843 2.117 0.603 0.568 0.945 0.630 CB 1.499 74 residues pruned to eliminate duplicates Z: 46 19.648 1.937 0.257 0.476 0.867 0.578 CB 1.421 46 residues pruned to eliminate duplicates Z: 10 5.594 1.752 0.337 0.287 0.778 0.333 CA 1.301 Z: 14 12.311 2.134 0.644 0.272 0.846 0.615 CA 1.490 14 residues pruned to eliminate duplicates Z: 11 3.967 1.503 0.437 0.343 0.800 0.300 CB 0.861 Z: 7 4.003 1.502 0.204 0.400 0.833 0.500 N 1.205 Z: 22 11.718 1.954 0.686 0.292 0.810 0.571 CB 1.211 22 residues pruned to eliminate duplicates Z: 16 19.486 1.989 0.844 0.551 0.933 0.667 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 11.299 1.956 0.431 0.438 0.923 0.462 CA 1.292 14 residues pruned to eliminate duplicates Z: 22 14.061 2.025 0.272 0.474 0.857 0.571 CA 1.427 22 residues pruned to eliminate duplicates Z: 8 10.039 1.941 0.548 0.664 0.857 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 6 5.248 1.728 0.446 0.483 0.800 0.600 CB 1.194 Z: 13 6.260 1.864 -0.004 0.538 0.833 0.583 CA 1.126 13 residues pruned to eliminate duplicates Z: 9 4.568 1.650 0.519 0.205 0.750 0.500 CB 1.218 9 residues pruned to eliminate duplicates Z: 15 15.017 2.180 0.637 0.389 0.786 0.643 CB 1.609 15 residues pruned to eliminate duplicates Z: 12 13.210 1.955 0.487 0.491 1.000 0.636 CA 1.382 11 residues pruned to eliminate duplicates Z: 27 19.419 2.007 0.546 0.406 0.962 0.462 CB 1.409 27 residues pruned to eliminate duplicates Z: 18 11.388 1.974 0.226 0.442 0.882 0.647 CA 1.373 18 residues pruned to eliminate duplicates Z: 14 9.073 1.887 0.567 0.279 0.846 0.462 CB 1.290 14 residues pruned to eliminate duplicates Z: 19 10.627 1.926 0.366 0.440 0.778 0.500 CB 1.302 19 residues pruned to eliminate duplicates Z: 10 4.045 1.515 0.356 0.381 0.889 0.556 CB 0.838 Z: 19 13.688 1.993 0.435 0.449 0.889 0.556 CA 1.337 19 residues pruned to eliminate duplicates Z: 6 4.419 1.450 0.757 0.648 0.800 0.800 CA 0.845 Z: 21 31.099 2.053 0.657 0.887 1.000 0.600 CB 1.473 21 residues pruned to eliminate duplicates Z: 6 2.379 1.524 0.237 0.409 0.600 0.400 N 1.035 Z: 27 16.374 1.886 0.576 0.460 0.846 0.577 CB 1.330 27 residues pruned to eliminate duplicates Z: 18 11.105 1.881 0.138 0.452 0.882 0.588 CA 1.499 18 residues pruned to eliminate duplicates Z: 18 16.652 1.988 0.706 0.401 0.941 0.588 CA 1.404 18 residues pruned to eliminate duplicates Z: 9 8.712 1.980 0.339 0.423 0.875 0.750 CA 1.439 9 residues pruned to eliminate duplicates Z: 11 7.683 1.726 0.475 0.519 0.800 0.600 CA 1.171 11 residues pruned to eliminate duplicates Z: 13 4.336 1.751 0.271 0.268 0.750 0.417 CB 0.977 13 residues pruned to eliminate duplicates Z: 21 15.077 1.938 0.449 0.475 0.900 0.650 CA 1.368 21 residues pruned to eliminate duplicates Z: 27 14.612 1.958 0.368 0.486 0.846 0.731 CB 1.282 27 residues pruned to eliminate duplicates Z: 18 12.856 1.920 0.497 0.332 1.000 0.529 CB 1.303 18 residues pruned to eliminate duplicates Z: 31 12.652 1.821 0.340 0.399 0.933 0.600 CB 1.128 15 residues pruned to eliminate duplicates Z: 6 4.357 1.678 0.148 0.620 0.800 0.600 CB 1.129 6 residues pruned to eliminate duplicates Z: 6 5.121 1.862 0.240 0.455 0.800 0.800 CA 1.297 6 residues pruned to eliminate duplicates Z: 17 9.224 2.050 0.059 0.471 0.812 0.562 CA 1.347 17 residues pruned to eliminate duplicates Z: 8 7.717 1.547 0.392 0.862 0.857 0.714 CA 1.160 8 residues pruned to eliminate duplicates Z: 11 10.351 1.801 0.333 0.579 1.000 0.800 CA 1.264 11 residues pruned to eliminate duplicates Z: 23 8.825 1.850 0.411 0.296 0.818 0.591 CB 1.107 23 residues pruned to eliminate duplicates Z: 34 33.402 2.084 0.730 0.667 0.939 0.545 CB 1.471 34 residues pruned to eliminate duplicates Z: 11 5.341 1.578 0.171 0.375 0.800 0.400 CA 1.307 11 residues pruned to eliminate duplicates Z: 6 6.293 1.762 0.134 0.608 1.000 0.600 CB 1.271 6 residues pruned to eliminate duplicates Z: 26 10.092 1.757 0.245 0.387 0.840 0.560 CB 1.238 7 residues pruned to eliminate duplicates Z: 11 4.282 1.736 0.317 0.441 0.800 0.400 CB 0.786 11 residues pruned to eliminate duplicates Z: 13 21.911 1.922 0.858 0.923 1.000 0.583 CA 1.245 13 residues pruned to eliminate duplicates Z: 44 24.655 1.965 0.570 0.424 0.953 0.465 CA 1.384 44 residues pruned to eliminate duplicates Z: 11 11.226 1.873 0.157 0.835 0.900 0.900 CB 1.363 11 residues pruned to eliminate duplicates Z: 8 5.939 1.796 0.655 0.352 0.857 0.571 C 1.034 Z: 6 2.156 1.634 -0.282 0.299 0.800 0.400 O 1.287 Z: 7 6.284 1.935 0.338 0.558 0.833 0.667 CB 1.124 Z: 13 9.974 1.909 0.278 0.447 0.833 0.333 CA 1.494 13 residues pruned to eliminate duplicates Z: 17 23.209 2.109 0.556 0.883 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 10 22.110 2.198 0.698 0.883 1.000 0.556 CB 1.428 Z: 6 3.676 1.649 0.230 0.673 0.800 0.600 CB 0.864 6 residues pruned to eliminate duplicates Z: 15 10.083 2.079 0.512 0.433 0.857 0.571 CB 1.072 14 residues pruned to eliminate duplicates Z: 29 17.000 1.976 0.506 0.534 0.929 0.464 CB 1.124 29 residues pruned to eliminate duplicates Z: 10 3.717 1.441 0.270 0.322 0.889 0.778 CB 0.926 7 residues pruned to eliminate duplicates Z: 20 15.058 2.115 0.602 0.323 0.789 0.526 CB 1.570 20 residues pruned to eliminate duplicates Z: 12 8.580 1.805 0.597 0.462 0.818 0.545 CA 1.140 Z: 6 3.616 1.416 0.459 0.505 0.800 0.600 N 0.974 Z: 6 3.270 1.442 0.631 0.545 1.000 0.800 CB 0.595 Z: 11 8.898 1.916 0.188 0.575 0.900 0.600 CA 1.277 11 residues pruned to eliminate duplicates Z: 21 11.609 1.837 0.320 0.504 0.850 0.600 CB 1.254 21 residues pruned to eliminate duplicates Z: 20 15.021 1.887 0.353 0.592 0.842 0.737 CB 1.468 20 residues pruned to eliminate duplicates Z: 9 3.189 1.541 0.057 0.445 1.000 0.750 N 0.733 Z: 7 3.243 1.730 0.160 0.615 0.500 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 30 14.677 1.888 0.333 0.448 0.862 0.552 CA 1.325 30 residues pruned to eliminate duplicates Z: 47 20.626 1.924 0.391 0.417 0.891 0.696 CB 1.390 56 residues pruned to eliminate duplicates Z: 43 44.746 2.166 0.769 0.701 0.976 0.619 CB 1.538 43 residues pruned to eliminate duplicates Z: 8 5.113 1.647 0.425 0.593 0.857 0.571 C 0.879 7 residues pruned to eliminate duplicates Z: 15 6.231 1.787 0.257 0.304 0.786 0.286 CA 1.174 15 residues pruned to eliminate duplicates Z: 6 7.393 1.822 0.274 0.683 1.000 0.800 CB 1.204 6 residues pruned to eliminate duplicates Z: 11 3.836 1.535 0.394 0.326 0.600 0.200 CA 1.143 11 residues pruned to eliminate duplicates Z: 7 2.325 1.532 -0.108 0.560 0.833 0.667 C 0.786 Z: 9 8.531 1.650 0.407 0.702 1.000 0.625 CB 1.081 9 residues pruned to eliminate duplicates Z: 15 7.321 1.889 0.502 0.324 0.643 0.500 CA 1.302 15 residues pruned to eliminate duplicates Z: 6 4.249 2.118 -0.242 0.406 1.000 0.600 CB 1.307 6 residues pruned to eliminate duplicates Z: 14 11.273 1.819 0.338 0.542 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 8 4.456 1.743 0.593 0.439 0.857 0.429 CB 0.754 8 residues pruned to eliminate duplicates Z: 7 5.827 1.549 0.451 0.405 1.000 0.500 CA 1.170 Z: 13 11.249 1.967 0.262 0.505 0.917 0.750 CA 1.420 13 residues pruned to eliminate duplicates Z: 19 22.349 2.082 0.433 0.820 0.889 0.778 CB 1.505 19 residues pruned to eliminate duplicates Z: 6 7.962 1.514 0.551 0.792 1.000 0.600 CB 1.174 Z: 7 3.910 1.524 0.135 0.523 0.833 0.333 CA 1.083 Z: 6 2.029 1.519 0.142 0.308 0.600 0.200 CA 1.080 Z: 7 6.102 1.699 0.436 0.708 1.000 0.667 CA 0.845 6 residues pruned to eliminate duplicates Z: 8 4.605 1.433 0.493 0.362 1.000 0.571 N 0.944 Z: 6 2.376 1.598 0.028 0.411 0.800 0.600 CB 0.888 Z: 8 9.112 1.701 0.539 0.707 1.000 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 9 5.196 1.670 0.270 0.515 0.875 0.625 CA 0.974 11 residues pruned to eliminate duplicates Z: 11 6.174 1.714 0.309 0.425 0.900 0.700 CA 1.046 11 residues pruned to eliminate duplicates Z: 12 9.397 1.861 0.406 0.397 0.909 0.545 N 1.328 12 residues pruned to eliminate duplicates Z: 34 21.716 2.074 0.573 0.297 0.909 0.485 CB 1.598 34 residues pruned to eliminate duplicates Z: 9 5.593 1.628 0.372 0.571 0.750 0.375 N 1.102 9 residues pruned to eliminate duplicates Z: 12 6.419 1.872 0.241 0.412 0.818 0.455 CA 1.116 12 residues pruned to eliminate duplicates Z: 7 3.419 1.711 0.135 0.493 0.667 0.500 CB 1.086 6 residues pruned to eliminate duplicates Z: 8 6.110 1.536 0.400 0.645 1.000 0.857 CB 0.938 Z: 6 4.811 1.840 0.872 0.572 0.600 0.200 CB 0.971 6 residues pruned to eliminate duplicates Z: 9 6.064 1.343 0.559 0.853 1.000 0.750 CA 0.757 8 residues pruned to eliminate duplicates Z: 7 3.919 1.660 0.699 0.291 0.667 0.333 CB 1.076 Z: 23 12.383 1.728 0.411 0.379 0.955 0.409 CA 1.291 23 residues pruned to eliminate duplicates Z: 52 21.025 1.951 0.387 0.411 0.863 0.529 CA 1.385 52 residues pruned to eliminate duplicates Z: 11 15.225 2.057 0.468 0.516 1.000 0.800 CA 1.569 11 residues pruned to eliminate duplicates Z: 7 2.524 1.375 0.120 0.389 0.833 0.333 CA 0.904 Z: 22 14.185 1.941 0.695 0.357 0.810 0.619 CB 1.356 22 residues pruned to eliminate duplicates Z: 14 9.801 1.711 0.340 0.474 1.000 0.538 CB 1.217 14 residues pruned to eliminate duplicates Z: 6 4.190 1.880 -0.315 0.481 1.000 0.800 O 1.484 Z: 6 3.044 1.465 0.683 0.504 0.800 0.400 CB 0.687 7 residues pruned to eliminate duplicates Z: 12 14.922 1.781 0.381 0.825 1.000 0.818 CB 1.380 Z: 14 8.403 1.737 0.367 0.379 0.923 0.231 CA 1.210 13 residues pruned to eliminate duplicates Z: 7 4.404 1.792 -0.118 0.280 1.000 0.500 CB 1.459 6 residues pruned to eliminate duplicates Z: 8 5.947 1.510 0.567 0.700 1.000 0.571 CB 0.792 8 residues pruned to eliminate duplicates Z: 11 5.827 1.658 0.537 0.274 0.700 0.500 CB 1.336 11 residues pruned to eliminate duplicates Z: 61 42.888 2.155 0.692 0.604 0.917 0.500 CB 1.501 61 residues pruned to eliminate duplicates Z: 20 13.330 1.940 0.671 0.389 0.789 0.579 CA 1.343 20 residues pruned to eliminate duplicates Z: 32 16.660 1.923 0.419 0.416 0.871 0.484 CB 1.375 32 residues pruned to eliminate duplicates Z: 65 38.423 2.128 0.687 0.541 0.938 0.625 CB 1.370 65 residues pruned to eliminate duplicates Z: 18 15.714 1.879 0.444 0.499 1.000 0.706 CB 1.406 18 residues pruned to eliminate duplicates Z: 6 3.377 1.724 0.455 0.299 1.000 0.400 CB 0.753 6 residues pruned to eliminate duplicates Z: 18 9.425 1.773 0.256 0.334 0.941 0.412 CA 1.309 18 residues pruned to eliminate duplicates Z: 23 10.228 1.840 0.258 0.391 0.955 0.500 CB 1.107 23 residues pruned to eliminate duplicates Z: 10 5.022 1.650 0.230 0.461 0.889 0.556 CB 0.965 10 residues pruned to eliminate duplicates Z: 42 17.207 1.739 0.553 0.411 0.829 0.439 CA 1.317 42 residues pruned to eliminate duplicates Z: 8 7.480 1.749 0.570 0.553 1.000 0.714 CA 0.977 7 residues pruned to eliminate duplicates Z: 10 9.260 1.724 0.253 0.811 0.889 0.667 CA 1.226 10 residues pruned to eliminate duplicates 6 1.888 0.975 0.915 0.368 0.800 0.600 CB 0.652 ? Z: 34 13.481 1.775 0.499 0.373 0.818 0.485 CB 1.235 34 residues pruned to eliminate duplicates 6 1.865 1.436 0.181 0.476 0.800 0.600 N 0.630 ? Z: 21 39.246 2.190 0.908 0.916 0.950 0.500 CB 1.560 21 residues pruned to eliminate duplicates Z: 27 11.420 1.798 0.186 0.478 0.808 0.577 CB 1.329 27 residues pruned to eliminate duplicates Z: 7 5.962 1.720 0.427 0.549 0.833 0.500 CB 1.134 Z: 20 7.970 1.860 0.220 0.398 0.737 0.421 CB 1.217 20 residues pruned to eliminate duplicates Z: 7 3.491 1.739 0.188 0.242 0.667 0.500 CA 1.395 7 residues pruned to eliminate duplicates Z: 10 4.604 1.369 0.485 0.428 0.667 0.444 CA 1.219 10 residues pruned to eliminate duplicates Z: 14 8.764 1.676 0.348 0.448 0.846 0.692 CA 1.342 13 residues pruned to eliminate duplicates Z: 79 44.139 2.122 0.769 0.533 0.949 0.526 CB 1.358 79 residues pruned to eliminate duplicates Z: 12 7.861 1.856 0.302 0.529 0.909 0.636 CA 1.048 12 residues pruned to eliminate duplicates Z: 9 3.058 1.295 0.512 0.306 0.875 0.500 C 0.782 Z: 13 3.513 1.547 0.081 0.325 0.750 0.417 CA 0.980 8 residues pruned to eliminate duplicates Z: 7 3.436 1.611 0.134 0.420 1.000 0.667 N 0.835 Z: 18 8.202 1.801 0.238 0.463 0.706 0.588 CA 1.312 18 residues pruned to eliminate duplicates Z: 20 9.718 1.764 0.313 0.474 0.842 0.421 CB 1.173 20 residues pruned to eliminate duplicates Z: 23 17.971 2.002 0.540 0.634 0.864 0.455 CB 1.268 23 residues pruned to eliminate duplicates Z: 12 5.914 1.582 0.682 0.424 0.818 0.364 CA 0.886 12 residues pruned to eliminate duplicates Z: 6 3.174 1.623 1.181 0.447 0.800 0.600 CB 0.530 Z: 21 13.008 1.945 0.210 0.475 0.950 0.500 CA 1.335 21 residues pruned to eliminate duplicates Z: 22 12.612 1.782 0.339 0.499 0.857 0.667 CA 1.347 22 residues pruned to eliminate duplicates Z: 29 13.862 1.841 0.295 0.352 0.964 0.429 CA 1.338 29 residues pruned to eliminate duplicates Z: 16 11.561 1.966 0.395 0.351 0.933 0.533 CA 1.370 16 residues pruned to eliminate duplicates Z: 12 16.456 1.989 0.652 0.808 0.909 0.636 CB 1.269 12 residues pruned to eliminate duplicates Z: 32 13.415 1.841 0.369 0.389 0.839 0.419 CA 1.282 32 residues pruned to eliminate duplicates Z: 9 5.767 1.709 0.786 0.476 0.625 0.500 CB 1.095 9 residues pruned to eliminate duplicates Z: 6 3.854 1.747 -0.078 0.747 1.000 0.800 N 0.857 6 residues pruned to eliminate duplicates Z: 8 6.838 1.639 0.357 0.845 1.000 0.714 CB 0.864 Z: 6 3.146 1.585 -0.160 0.602 1.000 0.800 C 0.959 7 residues pruned to eliminate duplicates Z: 16 23.016 2.147 0.354 0.908 1.000 1.000 CB 1.452 16 residues pruned to eliminate duplicates Z: 13 9.713 1.851 0.669 0.372 0.833 0.667 CB 1.249 22 residues pruned to eliminate duplicates Z: 6 3.552 1.432 0.170 0.472 0.800 0.600 C 1.219 Z: 9 7.083 1.923 0.484 0.327 1.000 0.500 CB 1.061 9 residues pruned to eliminate duplicates Z: 7 9.028 1.606 1.114 0.791 1.000 0.667 CB 0.841 Z: 10 2.699 1.482 0.602 0.166 0.556 0.444 CB 1.024 Z: 21 38.188 2.207 0.892 0.905 0.950 0.600 CB 1.533 21 residues pruned to eliminate duplicates Z: 7 6.029 1.423 0.864 0.675 0.833 0.667 N 0.948 7 residues pruned to eliminate duplicates Z: 48 29.357 2.072 0.546 0.481 0.894 0.596 CB 1.526 48 residues pruned to eliminate duplicates Z: 6 2.425 1.405 -0.114 0.801 1.000 1.000 CB 0.669 6 residues pruned to eliminate duplicates Z: 23 12.603 1.837 0.302 0.471 0.909 0.591 CA 1.272 23 residues pruned to eliminate duplicates Z: 11 4.196 1.592 0.200 0.350 0.800 0.500 CB 1.021 11 residues pruned to eliminate duplicates Z: 19 17.554 2.173 0.549 0.391 0.944 0.667 CB 1.461 19 residues pruned to eliminate duplicates Z: 21 14.228 1.942 0.588 0.368 0.850 0.600 CB 1.398 21 residues pruned to eliminate duplicates Z: 6 2.179 1.295 -0.154 0.508 1.000 0.600 N 0.882 Z: 15 18.248 2.059 0.468 0.881 1.000 0.857 CB 1.168 15 residues pruned to eliminate duplicates Z: 23 16.369 1.879 0.606 0.449 0.955 0.591 CA 1.277 23 residues pruned to eliminate duplicates Z: 6 4.503 1.536 0.162 0.628 0.800 0.600 CB 1.251 6 residues pruned to eliminate duplicates Z: 10 7.333 1.751 0.128 0.417 1.000 0.667 CA 1.350 10 residues pruned to eliminate duplicates Z: 69 37.750 2.050 0.649 0.532 0.912 0.603 CB 1.439 69 residues pruned to eliminate duplicates Z: 14 7.927 1.952 0.076 0.472 0.846 0.462 CB 1.272 14 residues pruned to eliminate duplicates Z: 17 12.414 1.842 0.558 0.476 0.938 0.625 CA 1.182 18 residues pruned to eliminate duplicates Z: 13 11.340 1.998 0.284 0.651 0.917 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 6 6.966 1.824 0.350 0.823 1.000 1.000 CB 0.956 6 residues pruned to eliminate duplicates Z: 11 3.201 1.694 -0.087 0.400 0.600 0.600 CB 1.212 11 residues pruned to eliminate duplicates 7 0.897 1.249 0.262 0.249 0.833 0.500 N 0.372 ? Z: 19 21.049 2.025 0.509 0.894 0.833 0.278 CB 1.398 19 residues pruned to eliminate duplicates Z: 12 12.732 1.986 0.517 0.555 0.909 0.909 CB 1.329 12 residues pruned to eliminate duplicates Z: 38 20.727 1.914 0.404 0.480 0.919 0.622 CB 1.408 38 residues pruned to eliminate duplicates Z: 22 17.579 1.932 0.582 0.545 0.952 0.714 CB 1.261 21 residues pruned to eliminate duplicates Z: 6 6.367 1.890 0.652 0.539 0.800 0.600 CA 1.097 6 residues pruned to eliminate duplicates Z: 11 3.450 1.488 0.721 0.189 0.800 0.400 CB 0.773 Z: 23 11.806 1.697 0.339 0.399 0.955 0.636 CB 1.291 19 residues pruned to eliminate duplicates Z: 20 14.567 1.938 0.548 0.441 0.842 0.526 CB 1.406 20 residues pruned to eliminate duplicates Z: 18 15.508 1.916 0.513 0.502 0.941 0.706 CB 1.375 18 residues pruned to eliminate duplicates Z: 41 37.724 2.088 0.744 0.656 0.950 0.500 CA 1.491 41 residues pruned to eliminate duplicates Z: 17 12.757 2.003 0.420 0.457 0.875 0.625 CA 1.339 17 residues pruned to eliminate duplicates Z: 11 17.327 1.707 0.839 0.875 1.000 0.500 CA 1.269 11 residues pruned to eliminate duplicates Z: 6 6.163 1.509 0.541 0.849 1.000 1.000 N 0.878 Z: 11 9.665 1.618 0.780 0.521 0.900 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 6 4.878 1.836 0.355 0.470 0.600 0.600 CA 1.506 6 residues pruned to eliminate duplicates Z: 22 20.693 1.918 0.492 0.725 0.952 0.714 CB 1.352 22 residues pruned to eliminate duplicates Z: 6 7.306 1.955 -0.013 0.644 1.000 0.600 CB 1.480 6 residues pruned to eliminate duplicates Z: 11 13.992 1.995 0.716 0.603 0.900 0.900 CB 1.302 11 residues pruned to eliminate duplicates Z: 25 13.172 1.953 0.163 0.477 0.917 0.667 CA 1.322 25 residues pruned to eliminate duplicates Z: 24 16.185 1.974 0.334 0.445 1.000 0.609 CB 1.355 24 residues pruned to eliminate duplicates Z: 6 3.541 1.847 -0.391 0.820 1.000 0.800 C 1.068 Z: 6 3.732 1.554 0.268 0.299 1.000 0.600 N 1.060 Z: 15 8.558 1.799 0.603 0.388 0.643 0.571 CA 1.389 11 residues pruned to eliminate duplicates Z: 10 3.937 1.472 0.303 0.346 0.778 0.556 CB 1.040 Z: 7 2.811 1.452 0.141 0.451 0.833 0.333 CA 0.874 Z: 20 8.468 1.764 0.503 0.380 0.842 0.579 CB 0.989 29 residues pruned to eliminate duplicates Z: 11 9.982 1.835 0.484 0.290 1.000 0.600 CA 1.467 11 residues pruned to eliminate duplicates Z: 7 5.242 1.517 0.240 0.673 1.000 0.667 CB 0.970 6 residues pruned to eliminate duplicates Z: 9 4.028 1.497 0.756 0.407 0.750 0.625 CB 0.797 9 residues pruned to eliminate duplicates Z: 6 2.973 1.434 0.422 0.463 0.800 0.200 CB 0.846 Z: 9 3.393 1.330 0.430 0.401 0.875 0.500 CB 0.800 Z: 17 10.013 1.993 0.258 0.384 0.812 0.500 CA 1.390 17 residues pruned to eliminate duplicates Z: 48 27.089 2.004 0.448 0.504 0.957 0.596 CA 1.416 48 residues pruned to eliminate duplicates Z: 10 11.030 1.648 0.330 0.857 1.000 0.778 CA 1.236 10 residues pruned to eliminate duplicates Z: 6 4.318 1.789 0.597 0.439 0.800 0.600 CB 0.900 Z: 12 5.954 1.412 0.564 0.319 0.909 0.364 O 1.092 Z: 18 10.648 1.837 0.431 0.415 0.882 0.588 CB 1.217 18 residues pruned to eliminate duplicates 8 1.479 1.499 0.076 0.072 0.714 0.286 CB 0.848 ? Z: 28 17.907 1.996 0.302 0.472 0.926 0.667 CA 1.472 28 residues pruned to eliminate duplicates Z: 14 4.175 1.375 0.561 0.259 0.692 0.538 CB 1.026 14 residues pruned to eliminate duplicates 6 1.418 1.461 -0.048 0.274 0.600 0.400 C 0.982 ? Z: 9 3.101 1.441 0.380 0.381 0.625 0.250 CB 1.001 Z: 10 6.018 1.762 0.322 0.164 0.889 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 7 3.788 1.457 0.415 0.451 0.833 0.500 CB 0.946 Z: 17 18.167 2.026 0.633 0.906 0.812 0.375 CB 1.202 17 residues pruned to eliminate duplicates Z: 9 14.696 1.870 0.465 0.914 1.000 1.000 CA 1.341 9 residues pruned to eliminate duplicates Z: 10 4.196 1.496 0.286 0.475 0.889 0.778 CB 0.839 10 residues pruned to eliminate duplicates Z: 10 2.897 1.414 0.415 0.278 0.667 0.333 CA 0.930 10 residues pruned to eliminate duplicates Z: 11 10.065 1.792 0.674 0.449 0.900 0.700 CB 1.243 11 residues pruned to eliminate duplicates Z: 10 15.991 1.711 0.962 0.870 0.889 0.778 CA 1.304 10 residues pruned to eliminate duplicates Z: 6 4.481 1.524 0.921 0.598 0.800 0.400 CA 0.779 Z: 6 3.121 1.561 0.202 0.375 1.000 0.600 CA 0.850 Z: 10 4.117 1.563 0.806 0.201 0.667 0.333 N 1.040 Z: 13 12.280 1.995 0.529 0.455 0.833 0.500 CB 1.461 19 residues pruned to eliminate duplicates Z: 9 5.991 1.377 0.535 0.809 0.750 0.375 CB 1.020 Z: 16 11.003 1.787 0.698 0.677 0.800 0.400 CB 0.994 16 residues pruned to eliminate duplicates Z: 6 4.158 1.779 0.367 0.548 0.600 0.600 CB 1.216 Z: 15 13.388 1.939 0.458 0.607 0.857 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 10 5.847 1.665 0.671 0.336 0.889 0.778 CB 0.943 10 residues pruned to eliminate duplicates Z: 6 3.941 1.395 0.200 0.513 1.000 0.600 C 1.040 6 residues pruned to eliminate duplicates Z: 12 8.745 1.677 0.536 0.495 1.000 0.636 CB 1.029 10 residues pruned to eliminate duplicates Z: 6 2.020 1.386 0.019 0.405 0.800 0.400 CA 0.884 Z: 17 24.527 2.068 0.844 0.915 0.938 0.750 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 4.623 1.907 0.114 0.327 1.000 0.800 CB 1.177 7 residues pruned to eliminate duplicates Z: 9 3.137 1.393 0.434 0.206 0.750 0.375 CB 1.050 Z: 12 3.415 1.380 0.156 0.530 0.909 0.273 N 0.689 Z: 7 2.716 1.345 0.510 0.242 0.667 0.333 N 1.103 6 1.538 1.211 0.842 0.295 0.600 0.600 CB 0.647 ? Z: 6 7.061 1.902 0.530 0.634 0.800 0.800 CB 1.196 6 residues pruned to eliminate duplicates Z: 24 13.078 1.975 0.363 0.454 0.913 0.522 CB 1.162 24 residues pruned to eliminate duplicates Z: 45 16.543 1.859 0.407 0.310 0.841 0.455 N 1.401 45 residues pruned to eliminate duplicates Z: 13 6.020 1.740 0.569 0.245 0.833 0.417 CB 1.025 13 residues pruned to eliminate duplicates Z: 6 7.062 1.846 0.644 0.600 0.800 0.800 CB 1.183 12 residues pruned to eliminate duplicates Z: 26 13.895 1.906 0.363 0.465 0.840 0.480 CA 1.321 26 residues pruned to eliminate duplicates Z: 8 4.594 1.514 0.503 0.323 1.000 0.429 CB 0.928 6 residues pruned to eliminate duplicates Z: 12 15.930 2.186 0.631 0.439 0.909 0.545 CB 1.577 12 residues pruned to eliminate duplicates Z: 6 2.097 1.535 0.046 0.431 0.600 0.400 CB 1.045 5 residues pruned to eliminate duplicates Z: 6 2.126 1.599 0.089 0.324 0.800 0.200 CB 0.828 Z: 6 3.749 1.748 0.439 0.607 0.800 0.800 CA 0.752 6 residues pruned to eliminate duplicates 6 0.678 1.416 0.500 0.284 0.600 0.600 CB 0.303 ? Z: 13 10.129 1.812 0.197 0.625 1.000 0.833 CA 1.199 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 5.080 1.614 0.728 0.271 0.750 0.500 CB 0.910 7 residues pruned to eliminate duplicates Z: 6 3.282 1.475 0.346 0.534 0.800 0.400 CB 0.893 7 residues pruned to eliminate duplicates Z: 7 7.839 1.493 0.815 0.435 1.000 0.667 CA 1.263 8 residues pruned to eliminate duplicates Z: 6 5.168 1.700 0.704 0.503 0.800 0.200 CB 0.995 6 residues pruned to eliminate duplicates Z: 7 4.437 1.653 0.328 0.585 0.833 0.500 CA 0.912 7 residues pruned to eliminate duplicates Z: 7 6.193 1.771 0.594 0.605 0.833 0.167 CA 0.972 7 residues pruned to eliminate duplicates Z: 7 3.117 1.762 0.509 0.564 0.667 0.333 CA 0.674 7 residues pruned to eliminate duplicates Z: 13 5.325 1.666 0.358 0.292 0.917 0.333 CB 0.936 13 residues pruned to eliminate duplicates Z: 19 11.627 1.874 0.481 0.502 0.778 0.556 CB 1.267 19 residues pruned to eliminate duplicates Z: 17 12.563 1.886 0.500 0.559 0.875 0.750 CB 1.198 17 residues pruned to eliminate duplicates Z: 18 8.866 1.870 0.360 0.471 0.824 0.471 CB 1.057 18 residues pruned to eliminate duplicates Z: 17 11.465 1.912 0.389 0.522 0.875 0.500 CB 1.207 17 residues pruned to eliminate duplicates Z: 14 8.886 1.677 0.496 0.486 0.923 0.692 CB 1.079 14 residues pruned to eliminate duplicates Z: 18 9.159 1.830 0.365 0.445 0.882 0.471 CB 1.067 18 residues pruned to eliminate duplicates Z: 17 9.076 1.886 0.484 0.448 0.750 0.438 CB 1.140 17 residues pruned to eliminate duplicates Z: 19 10.252 1.805 0.608 0.450 0.833 0.500 CB 1.052 19 residues pruned to eliminate duplicates Z: 17 13.011 1.988 0.472 0.444 0.938 0.500 CB 1.256 17 residues pruned to eliminate duplicates Z: 17 11.962 1.934 0.410 0.464 0.938 0.500 CA 1.214 17 residues pruned to eliminate duplicates Z: 39 17.561 1.878 0.379 0.372 0.895 0.553 CB 1.409 39 residues pruned to eliminate duplicates Z: 29 14.723 1.862 0.422 0.444 0.857 0.500 CB 1.299 29 residues pruned to eliminate duplicates Z: 54 23.895 1.937 0.454 0.451 0.906 0.547 CB 1.353 54 residues pruned to eliminate duplicates Z: 38 20.170 1.920 0.365 0.489 0.946 0.622 CB 1.353 36 residues pruned to eliminate duplicates Z: 6 3.644 1.433 0.190 0.455 1.000 0.800 C 1.000 6 residues pruned to eliminate duplicates Z: 30 19.803 1.965 0.324 0.469 0.966 0.552 CA 1.511 30 residues pruned to eliminate duplicates Z: 57 23.557 1.921 0.526 0.449 0.875 0.536 CB 1.293 57 residues pruned to eliminate duplicates Z: 6 9.723 1.804 0.894 0.326 1.000 0.600 C 1.541 6 residues pruned to eliminate duplicates Z: 37 22.625 1.982 0.355 0.472 0.972 0.611 CA 1.485 37 residues pruned to eliminate duplicates Z: 29 14.495 1.864 0.471 0.370 0.893 0.500 CB 1.286 29 residues pruned to eliminate duplicates Z: 35 17.279 1.946 0.309 0.442 0.882 0.529 CA 1.399 35 residues pruned to eliminate duplicates Z: 33 18.984 1.970 0.281 0.460 0.969 0.719 CA 1.431 33 residues pruned to eliminate duplicates Z: 20 12.811 1.822 0.332 0.418 0.947 0.632 CA 1.392 20 residues pruned to eliminate duplicates Z: 36 15.745 1.910 0.187 0.438 0.914 0.457 CA 1.370 36 residues pruned to eliminate duplicates Z: 36 21.896 1.978 0.414 0.493 0.943 0.686 CA 1.414 36 residues pruned to eliminate duplicates Z: 46 23.535 1.941 0.424 0.448 0.978 0.533 CA 1.370 48 residues pruned to eliminate duplicates Z: 6 6.549 1.912 0.612 0.395 1.000 0.400 CA 1.062 6 residues pruned to eliminate duplicates Z: 41 19.814 1.913 0.451 0.411 0.875 0.525 CB 1.415 41 residues pruned to eliminate duplicates Z: 22 13.800 2.014 0.293 0.484 0.857 0.476 CA 1.371 22 residues pruned to eliminate duplicates Z: 36 18.278 1.956 0.341 0.471 0.886 0.629 CA 1.370 36 residues pruned to eliminate duplicates Z: 22 18.052 2.070 0.413 0.533 0.952 0.714 CB 1.370 22 residues pruned to eliminate duplicates Z: 42 21.169 1.935 0.375 0.438 0.927 0.683 CA 1.429 42 residues pruned to eliminate duplicates Z: 36 20.076 1.984 0.286 0.473 0.943 0.514 CA 1.450 36 residues pruned to eliminate duplicates Z: 20 15.917 2.094 0.338 0.480 0.895 0.579 CA 1.486 20 residues pruned to eliminate duplicates Z: 36 19.209 1.951 0.331 0.466 0.914 0.600 CB 1.416 36 residues pruned to eliminate duplicates Z: 16 9.358 2.031 0.178 0.405 0.800 0.333 CA 1.395 16 residues pruned to eliminate duplicates Z: 15 11.488 2.077 0.253 0.454 0.857 0.571 CA 1.443 15 residues pruned to eliminate duplicates Z: 23 13.358 1.992 0.291 0.439 0.864 0.545 CB 1.366 23 residues pruned to eliminate duplicates Z: 6 5.460 1.808 0.776 0.467 0.800 0.400 CB 0.983 6 residues pruned to eliminate duplicates Z: 6 9.173 1.834 0.714 0.607 1.000 0.400 CA 1.179 6 residues pruned to eliminate duplicates Z: 10 7.031 1.801 0.659 0.389 0.778 0.444 CB 1.135 10 residues pruned to eliminate duplicates Z: 9 4.935 1.926 0.283 0.396 0.750 0.250 CB 1.051 9 residues pruned to eliminate duplicates Z: 10 8.603 1.815 0.623 0.397 0.889 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 9 6.937 1.900 0.499 0.467 0.875 0.500 CB 1.018 9 residues pruned to eliminate duplicates Z: 11 6.812 1.800 0.515 0.498 0.800 0.500 CB 0.989 11 residues pruned to eliminate duplicates Z: 12 10.828 1.884 0.864 0.382 0.818 0.636 CA 1.288 8 residues pruned to eliminate duplicates Z: 11 10.546 1.907 0.602 0.501 0.800 0.700 CA 1.363 11 residues pruned to eliminate duplicates Z: 12 7.527 1.781 0.379 0.402 0.727 0.364 CA 1.408 12 residues pruned to eliminate duplicates Z: 11 13.162 1.858 0.930 0.491 0.900 0.600 CB 1.301 12 residues pruned to eliminate duplicates Z: 6 4.746 1.689 0.877 0.792 0.400 0.400 CB 1.295 6 residues pruned to eliminate duplicates Z: 7 7.575 1.503 0.628 0.729 1.000 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 8 11.180 2.016 0.282 0.734 1.000 0.286 CB 1.325 8 residues pruned to eliminate duplicates Z: 26 15.524 1.903 0.454 0.450 0.920 0.560 CA 1.284 26 residues pruned to eliminate duplicates Z: 21 14.489 1.880 0.562 0.357 0.950 0.500 CB 1.355 21 residues pruned to eliminate duplicates Z: 23 13.514 1.817 0.532 0.389 0.955 0.455 CB 1.221 23 residues pruned to eliminate duplicates Z: 24 17.618 2.002 0.592 0.451 0.913 0.652 CA 1.327 25 residues pruned to eliminate duplicates Z: 7 7.882 1.826 0.295 0.481 1.000 0.333 CB 1.387 7 residues pruned to eliminate duplicates Z: 19 17.228 1.972 0.538 0.544 0.944 0.611 CA 1.359 19 residues pruned to eliminate duplicates Z: 25 16.159 1.967 0.430 0.466 0.917 0.625 CA 1.324 25 residues pruned to eliminate duplicates Z: 25 15.328 1.979 0.643 0.397 0.792 0.417 CB 1.356 25 residues pruned to eliminate duplicates Z: 27 13.806 1.840 0.594 0.422 0.846 0.423 CB 1.183 27 residues pruned to eliminate duplicates Z: 26 17.145 1.956 0.439 0.455 0.920 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 6 2.254 1.344 0.227 0.357 0.800 0.600 O 0.891 6 residues pruned to eliminate duplicates Z: 23 19.254 2.047 0.671 0.425 0.909 0.500 CB 1.427 22 residues pruned to eliminate duplicates Z: 6 3.616 1.810 0.468 0.301 0.600 0.600 CB 1.267 6 residues pruned to eliminate duplicates Z: 26 18.700 1.956 0.556 0.472 0.920 0.680 CB 1.374 26 residues pruned to eliminate duplicates Z: 7 7.278 1.657 0.565 0.548 1.000 0.667 CA 1.094 7 residues pruned to eliminate duplicates Z: 14 6.908 1.953 0.037 0.467 0.769 0.462 CB 1.271 14 residues pruned to eliminate duplicates Z: 11 9.827 1.962 0.320 0.407 0.900 0.500 CB 1.470 11 residues pruned to eliminate duplicates Z: 21 13.547 1.981 0.366 0.429 0.850 0.500 CB 1.418 15 residues pruned to eliminate duplicates Z: 7 7.980 1.804 0.366 0.492 1.000 0.667 CA 1.332 7 residues pruned to eliminate duplicates Z: 22 11.215 1.933 0.431 0.382 0.762 0.571 CB 1.317 22 residues pruned to eliminate duplicates Z: 26 11.878 1.916 0.398 0.382 0.800 0.520 CB 1.258 26 residues pruned to eliminate duplicates Z: 17 10.063 1.893 0.188 0.472 0.875 0.562 CB 1.315 17 residues pruned to eliminate duplicates Z: 68 27.690 1.982 0.372 0.479 0.896 0.567 CB 1.418 68 residues pruned to eliminate duplicates Z: 28 12.200 1.885 0.403 0.368 0.778 0.444 CB 1.315 28 residues pruned to eliminate duplicates Z: 12 7.307 1.789 0.765 0.320 0.727 0.545 CA 1.169 12 residues pruned to eliminate duplicates Z: 11 9.963 1.858 0.635 0.413 0.800 0.600 CB 1.419 11 residues pruned to eliminate duplicates Z: 25 13.114 1.920 0.492 0.386 0.792 0.583 CB 1.333 25 residues pruned to eliminate duplicates Z: 15 5.945 1.798 0.283 0.283 0.786 0.500 CB 1.119 15 residues pruned to eliminate duplicates Z: 12 8.144 1.872 0.338 0.360 0.818 0.545 CA 1.394 12 residues pruned to eliminate duplicates Z: 75 39.912 2.078 0.508 0.565 0.932 0.541 CA 1.491 75 residues pruned to eliminate duplicates Z: 13 7.601 1.702 0.525 0.452 0.750 0.500 CA 1.183 13 residues pruned to eliminate duplicates Z: 62 36.169 2.050 0.582 0.594 0.885 0.541 CA 1.474 62 residues pruned to eliminate duplicates Z: 15 13.585 2.084 0.443 0.502 0.929 0.571 CA 1.297 15 residues pruned to eliminate duplicates Z: 62 34.143 2.057 0.429 0.617 0.934 0.607 CA 1.424 62 residues pruned to eliminate duplicates Z: 35 18.538 2.007 0.296 0.491 0.912 0.676 CA 1.353 35 residues pruned to eliminate duplicates Z: 11 8.230 1.952 0.282 0.464 0.800 0.600 CA 1.349 11 residues pruned to eliminate duplicates Z: 78 40.666 2.078 0.551 0.545 0.935 0.545 CA 1.472 78 residues pruned to eliminate duplicates Z: 74 36.356 2.052 0.420 0.573 0.932 0.671 CA 1.460 74 residues pruned to eliminate duplicates Z: 45 24.700 1.947 0.341 0.564 0.977 0.636 CA 1.371 45 residues pruned to eliminate duplicates Z: 74 39.161 2.083 0.489 0.551 0.932 0.603 CA 1.509 74 residues pruned to eliminate duplicates Z: 32 20.041 1.927 0.366 0.526 0.968 0.677 CA 1.378 32 residues pruned to eliminate duplicates Z: 69 37.534 2.057 0.470 0.579 0.956 0.676 CA 1.460 69 residues pruned to eliminate duplicates Z: 20 13.270 2.063 0.194 0.452 0.895 0.579 CA 1.451 20 residues pruned to eliminate duplicates Z: 36 24.759 2.035 0.422 0.595 0.886 0.543 CA 1.491 36 residues pruned to eliminate duplicates Z: 42 29.624 2.072 0.325 0.661 1.000 0.683 CA 1.452 42 residues pruned to eliminate duplicates Z: 65 33.698 2.009 0.497 0.568 0.922 0.562 CA 1.422 65 residues pruned to eliminate duplicates Z: 41 27.263 2.041 0.445 0.584 0.900 0.550 CA 1.497 41 residues pruned to eliminate duplicates Z: 47 31.613 2.040 0.477 0.629 0.913 0.630 CA 1.501 47 residues pruned to eliminate duplicates Z: 49 37.164 2.054 0.528 0.682 0.958 0.708 CA 1.508 49 residues pruned to eliminate duplicates Z: 50 33.401 2.048 0.479 0.646 0.959 0.673 CA 1.433 50 residues pruned to eliminate duplicates Z: 66 40.299 2.104 0.521 0.576 0.985 0.631 CA 1.474 66 residues pruned to eliminate duplicates Z: 25 29.453 2.049 0.696 0.706 0.917 0.625 CA 1.565 25 residues pruned to eliminate duplicates Z: 78 38.789 2.067 0.561 0.506 0.896 0.571 CA 1.520 78 residues pruned to eliminate duplicates Z: 34 26.800 2.051 0.476 0.618 0.970 0.515 CA 1.422 34 residues pruned to eliminate duplicates Z: 56 42.930 2.109 0.633 0.594 1.000 0.564 CA 1.537 56 residues pruned to eliminate duplicates Z: 82 40.656 2.063 0.525 0.551 0.926 0.556 CA 1.475 82 residues pruned to eliminate duplicates Z: 48 38.998 2.106 0.616 0.673 0.957 0.681 CA 1.488 48 residues pruned to eliminate duplicates Z: 47 37.918 2.112 0.522 0.679 0.978 0.609 CA 1.508 47 residues pruned to eliminate duplicates Z: 31 26.786 2.071 0.543 0.623 0.967 0.600 CA 1.409 31 residues pruned to eliminate duplicates Z: 53 38.340 2.066 0.573 0.618 0.981 0.577 CA 1.493 53 residues pruned to eliminate duplicates Z: 34 26.767 2.058 0.478 0.599 0.909 0.424 CA 1.533 34 residues pruned to eliminate duplicates Z: 73 39.149 2.074 0.505 0.579 0.931 0.528 CA 1.472 73 residues pruned to eliminate duplicates Z: 68 40.055 2.074 0.612 0.565 0.955 0.522 CA 1.439 68 residues pruned to eliminate duplicates Z: 11 6.034 1.831 0.175 0.310 0.900 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 52 37.481 2.060 0.555 0.637 0.961 0.647 CA 1.501 52 residues pruned to eliminate duplicates Z: 62 41.470 2.096 0.544 0.622 0.967 0.541 CA 1.513 62 residues pruned to eliminate duplicates Z: 71 38.560 2.062 0.563 0.551 0.900 0.557 CA 1.512 71 residues pruned to eliminate duplicates Z: 59 38.132 2.071 0.592 0.614 0.914 0.621 CA 1.492 59 residues pruned to eliminate duplicates Z: 47 39.726 2.100 0.654 0.662 0.957 0.717 CB 1.517 47 residues pruned to eliminate duplicates Z: 25 20.949 2.000 0.591 0.530 0.958 0.583 CB 1.361 25 residues pruned to eliminate duplicates Z: 48 25.779 1.981 0.569 0.458 0.872 0.511 CB 1.447 48 residues pruned to eliminate duplicates Z: 53 35.957 2.089 0.502 0.602 0.942 0.500 CA 1.531 53 residues pruned to eliminate duplicates Z: 39 29.706 2.107 0.630 0.475 0.947 0.421 CA 1.519 39 residues pruned to eliminate duplicates Z: 45 29.245 2.051 0.542 0.509 0.955 0.591 CA 1.447 45 residues pruned to eliminate duplicates Z: 22 22.929 2.055 0.785 0.597 0.952 0.619 CB 1.307 22 residues pruned to eliminate duplicates Z: 40 27.436 2.056 0.638 0.456 0.949 0.462 CB 1.439 40 residues pruned to eliminate duplicates Z: 39 30.939 2.101 0.602 0.499 0.974 0.684 CB 1.533 39 residues pruned to eliminate duplicates Z: 39 31.445 2.098 0.645 0.480 0.974 0.500 CB 1.549 39 residues pruned to eliminate duplicates Z: 67 40.903 2.088 0.602 0.535 0.924 0.576 CA 1.572 67 residues pruned to eliminate duplicates Z: 21 21.612 2.054 0.678 0.615 0.950 0.650 CB 1.324 21 residues pruned to eliminate duplicates Z: 44 25.713 2.038 0.512 0.472 0.930 0.442 CB 1.408 44 residues pruned to eliminate duplicates Z: 25 20.072 2.107 0.492 0.398 0.917 0.542 CA 1.584 25 residues pruned to eliminate duplicates Z: 30 17.190 2.006 0.500 0.308 0.862 0.448 CA 1.523 30 residues pruned to eliminate duplicates Z: 62 41.256 2.091 0.607 0.583 0.951 0.525 CB 1.526 62 residues pruned to eliminate duplicates Z: 65 38.496 2.095 0.598 0.553 0.891 0.484 CA 1.532 65 residues pruned to eliminate duplicates Z: 30 19.043 2.054 0.472 0.430 0.862 0.586 CA 1.460 30 residues pruned to eliminate duplicates Z: 39 31.535 2.095 0.719 0.455 0.974 0.500 CB 1.528 39 residues pruned to eliminate duplicates Z: 26 13.921 1.924 0.601 0.422 0.800 0.440 CA 1.226 26 residues pruned to eliminate duplicates Z: 33 17.145 1.969 0.546 0.364 0.844 0.562 CA 1.366 33 residues pruned to eliminate duplicates Z: 17 12.753 2.029 0.488 0.367 0.812 0.375 CA 1.499 17 residues pruned to eliminate duplicates Z: 24 19.384 2.059 0.773 0.329 0.870 0.435 CA 1.537 24 residues pruned to eliminate duplicates Z: 64 36.335 2.049 0.534 0.507 0.952 0.651 CA 1.519 64 residues pruned to eliminate duplicates Z: 18 14.217 2.090 0.597 0.291 0.824 0.412 CA 1.586 18 residues pruned to eliminate duplicates Z: 14 11.315 2.022 0.486 0.410 0.846 0.462 CA 1.357 14 residues pruned to eliminate duplicates Z: 19 15.888 2.015 0.649 0.389 0.833 0.444 CA 1.522 19 residues pruned to eliminate duplicates Z: 32 22.827 2.038 0.578 0.435 0.935 0.548 CA 1.457 32 residues pruned to eliminate duplicates Z: 40 21.744 1.965 0.656 0.460 0.872 0.590 CB 1.279 40 residues pruned to eliminate duplicates Z: 43 26.887 2.009 0.564 0.474 0.952 0.452 CB 1.423 43 residues pruned to eliminate duplicates Z: 32 20.342 1.998 0.584 0.401 0.935 0.484 CB 1.370 32 residues pruned to eliminate duplicates Z: 51 25.539 1.996 0.498 0.480 0.880 0.540 CA 1.401 51 residues pruned to eliminate duplicates Z: 47 25.141 1.985 0.480 0.439 0.935 0.478 CA 1.438 47 residues pruned to eliminate duplicates Z: 24 15.192 1.967 0.542 0.445 0.913 0.609 CA 1.211 24 residues pruned to eliminate duplicates Z: 11 9.479 1.918 0.423 0.601 0.900 0.700 CA 1.109 11 residues pruned to eliminate duplicates Z: 21 41.710 2.231 0.935 0.916 1.000 0.750 CB 1.526 21 residues pruned to eliminate duplicates Z: 54 39.594 2.150 0.655 0.664 0.906 0.566 CB 1.450 54 residues pruned to eliminate duplicates Z: 43 44.474 2.179 0.725 0.729 0.976 0.595 CB 1.522 43 residues pruned to eliminate duplicates Z: 31 34.250 2.200 0.749 0.697 0.933 0.433 CB 1.454 31 residues pruned to eliminate duplicates Z: 44 37.538 2.187 0.679 0.675 0.907 0.558 CB 1.463 44 residues pruned to eliminate duplicates Z: 80 41.451 2.106 0.648 0.517 0.949 0.468 CB 1.392 80 residues pruned to eliminate duplicates Z: 30 40.186 2.236 0.820 0.761 0.931 0.517 CB 1.561 30 residues pruned to eliminate duplicates Z: 29 44.810 2.255 0.958 0.707 1.000 0.536 CB 1.589 29 residues pruned to eliminate duplicates Z: 51 46.439 2.183 0.783 0.661 0.960 0.660 CB 1.513 51 residues pruned to eliminate duplicates Z: 53 43.856 2.158 0.699 0.614 0.962 0.577 CB 1.548 53 residues pruned to eliminate duplicates Z: 74 41.404 2.137 0.695 0.546 0.932 0.479 CB 1.373 74 residues pruned to eliminate duplicates Z: 52 32.626 2.099 0.735 0.435 0.882 0.490 CB 1.521 52 residues pruned to eliminate duplicates Z: 73 46.315 2.110 0.772 0.546 0.931 0.556 CB 1.499 73 residues pruned to eliminate duplicates Z: 11 17.060 2.119 0.487 0.782 1.000 0.700 CA 1.336 11 residues pruned to eliminate duplicates Z: 84 50.678 2.127 0.763 0.561 0.952 0.566 CB 1.469 84 residues pruned to eliminate duplicates Z: 74 46.733 2.144 0.687 0.596 0.932 0.548 CB 1.481 74 residues pruned to eliminate duplicates Z: 74 51.428 2.183 0.702 0.583 0.959 0.603 CB 1.559 74 residues pruned to eliminate duplicates Z: 77 49.037 2.165 0.802 0.548 0.947 0.526 CB 1.452 77 residues pruned to eliminate duplicates Z: 73 42.689 2.161 0.693 0.536 0.931 0.472 CB 1.426 73 residues pruned to eliminate duplicates Z: 37 39.810 2.119 0.730 0.704 0.972 0.556 CB 1.547 37 residues pruned to eliminate duplicates Z: 74 49.567 2.171 0.729 0.583 0.959 0.521 CB 1.489 74 residues pruned to eliminate duplicates Z: 40 44.521 2.240 0.784 0.690 0.949 0.487 CB 1.579 40 residues pruned to eliminate duplicates Z: 110 45.489 2.104 0.576 0.524 0.936 0.578 CB 1.371 110 residues pruned to eliminate duplicates Z: 21 18.648 2.101 0.819 0.345 0.900 0.450 CB 1.434 21 residues pruned to eliminate duplicates Z: 12 13.577 2.242 0.450 0.303 1.000 0.364 CB 1.568 12 residues pruned to eliminate duplicates Z: 31 17.969 2.105 0.595 0.290 0.900 0.400 CB 1.374 31 residues pruned to eliminate duplicates Z: 62 51.911 2.188 0.889 0.592 1.000 0.541 CB 1.473 62 residues pruned to eliminate duplicates Z: 74 53.635 2.176 0.863 0.589 0.973 0.589 CB 1.461 74 residues pruned to eliminate duplicates Z: 7 3.692 1.554 0.448 0.432 0.833 0.167 CA 0.863 7 residues pruned to eliminate duplicates Z: 83 42.493 2.117 0.685 0.547 0.890 0.488 CB 1.412 83 residues pruned to eliminate duplicates Z: 17 15.475 2.034 0.777 0.300 0.875 0.375 CB 1.530 17 residues pruned to eliminate duplicates Z: 17 7.756 1.869 0.764 0.231 0.688 0.250 CA 1.170 10 residues pruned to eliminate duplicates Z: 6 4.671 1.582 0.817 0.343 0.800 0.400 CA 1.077 6 residues pruned to eliminate duplicates Z: 12 8.495 1.840 0.636 0.272 0.909 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 13 4.611 1.828 0.526 0.094 0.750 0.333 CA 1.071 13 residues pruned to eliminate duplicates Z: 11 7.273 2.051 0.539 0.208 0.800 0.300 CA 1.287 11 residues pruned to eliminate duplicates Z: 40 13.287 1.909 0.345 0.311 0.795 0.513 CB 1.285 40 residues pruned to eliminate duplicates Z: 11 7.334 1.822 0.521 0.308 1.000 0.500 CA 1.036 11 residues pruned to eliminate duplicates Z: 43 20.561 1.961 0.468 0.395 0.857 0.571 CB 1.436 43 residues pruned to eliminate duplicates Z: 32 15.484 1.924 0.423 0.371 0.871 0.613 CB 1.340 32 residues pruned to eliminate duplicates Z: 26 14.476 1.909 0.713 0.325 0.880 0.560 CA 1.220 26 residues pruned to eliminate duplicates Z: 24 16.565 1.961 0.706 0.338 0.913 0.609 CB 1.349 24 residues pruned to eliminate duplicates Z: 22 12.995 2.020 0.623 0.287 0.857 0.476 CA 1.282 22 residues pruned to eliminate duplicates Z: 43 19.479 1.951 0.494 0.359 0.881 0.571 CB 1.363 43 residues pruned to eliminate duplicates Z: 17 11.809 1.996 0.287 0.456 0.875 0.500 CA 1.375 17 residues pruned to eliminate duplicates Z: 16 15.575 2.085 0.346 0.476 0.933 0.667 CA 1.573 16 residues pruned to eliminate duplicates Z: 23 13.790 1.926 0.338 0.420 0.864 0.409 CB 1.437 23 residues pruned to eliminate duplicates Z: 42 19.468 1.966 0.412 0.384 0.878 0.537 CB 1.411 42 residues pruned to eliminate duplicates Z: 17 13.727 2.027 0.323 0.443 0.938 0.625 CB 1.447 17 residues pruned to eliminate duplicates Z: 20 13.546 1.967 0.337 0.433 0.842 0.526 CA 1.503 20 residues pruned to eliminate duplicates Z: 17 14.308 2.006 0.388 0.448 0.875 0.562 CA 1.549 17 residues pruned to eliminate duplicates Z: 19 11.577 2.055 0.367 0.433 0.778 0.556 CB 1.338 19 residues pruned to eliminate duplicates Z: 28 13.857 2.015 0.365 0.353 0.852 0.481 CB 1.334 28 residues pruned to eliminate duplicates Z: 23 17.527 2.041 0.547 0.356 0.955 0.545 CA 1.450 23 residues pruned to eliminate duplicates Z: 7 4.693 1.985 -0.126 0.455 0.833 0.500 CB 1.388 7 residues pruned to eliminate duplicates 7 1.610 1.903 -0.172 0.313 0.500 0.333 CB 1.025 ? Z: 9 3.562 1.931 -0.052 0.403 0.500 0.125 N 1.524 9 residues pruned to eliminate duplicates Z: 31 18.117 1.976 0.454 0.428 0.867 0.533 CB 1.431 31 residues pruned to eliminate duplicates Z: 20 12.923 1.914 0.391 0.436 0.789 0.526 CA 1.507 20 residues pruned to eliminate duplicates Z: 21 11.599 1.910 0.375 0.432 0.800 0.500 CB 1.325 21 residues pruned to eliminate duplicates Z: 19 11.003 1.877 0.273 0.375 0.944 0.444 CB 1.313 19 residues pruned to eliminate duplicates Z: 19 11.345 1.917 0.255 0.432 0.833 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 27 9.965 1.900 0.159 0.374 0.808 0.462 CB 1.258 27 residues pruned to eliminate duplicates Z: 14 13.734 1.929 0.426 0.485 1.000 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 15 11.676 1.939 0.298 0.483 0.929 0.714 CB 1.359 15 residues pruned to eliminate duplicates Z: 22 11.473 1.863 0.241 0.431 0.810 0.524 CA 1.436 22 residues pruned to eliminate duplicates Z: 20 12.082 1.877 0.442 0.412 0.947 0.737 CB 1.185 20 residues pruned to eliminate duplicates Z: 16 12.682 1.912 0.561 0.459 0.933 0.667 CB 1.226 16 residues pruned to eliminate duplicates Z: 26 14.134 1.895 0.328 0.450 0.880 0.640 CB 1.344 26 residues pruned to eliminate duplicates Z: 14 13.136 1.908 0.401 0.457 1.000 0.769 CB 1.424 14 residues pruned to eliminate duplicates Z: 20 11.593 1.942 0.299 0.460 0.895 0.579 CB 1.228 20 residues pruned to eliminate duplicates Z: 21 10.754 1.892 0.333 0.350 0.850 0.600 CB 1.319 21 residues pruned to eliminate duplicates Z: 27 11.380 1.870 0.305 0.427 0.808 0.654 CB 1.221 27 residues pruned to eliminate duplicates Z: 14 11.685 1.941 0.284 0.468 0.923 0.615 CB 1.456 14 residues pruned to eliminate duplicates Z: 25 11.645 1.922 0.196 0.404 0.875 0.625 CB 1.307 25 residues pruned to eliminate duplicates Z: 9 4.691 1.810 0.700 0.361 0.875 0.375 CB 0.716 9 residues pruned to eliminate duplicates Z: 7 3.935 1.977 0.349 0.468 0.833 0.667 CB 0.747 7 residues pruned to eliminate duplicates Z: 20 12.725 1.881 0.387 0.473 1.000 0.474 CB 1.150 20 residues pruned to eliminate duplicates Z: 6 4.475 1.693 0.744 0.358 0.600 0.400 C 1.317 6 residues pruned to eliminate duplicates Z: 24 13.493 1.873 0.447 0.394 0.913 0.522 CB 1.271 24 residues pruned to eliminate duplicates Z: 21 13.803 2.046 0.480 0.418 0.850 0.650 CB 1.306 21 residues pruned to eliminate duplicates Z: 44 17.279 1.942 0.370 0.410 0.860 0.605 CB 1.266 44 residues pruned to eliminate duplicates Z: 32 17.914 1.979 0.416 0.444 0.935 0.645 CB 1.301 32 residues pruned to eliminate duplicates Z: 28 11.927 1.866 0.308 0.353 0.852 0.556 CB 1.295 28 residues pruned to eliminate duplicates Z: 20 13.035 2.034 0.445 0.382 0.842 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 52 21.685 2.004 0.296 0.404 0.902 0.647 CB 1.433 52 residues pruned to eliminate duplicates Z: 14 14.542 2.049 0.649 0.487 0.846 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 20 14.554 2.024 0.390 0.445 0.895 0.684 CB 1.403 20 residues pruned to eliminate duplicates Z: 16 12.934 1.980 0.495 0.502 0.867 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 38 17.662 1.960 0.430 0.436 0.865 0.703 CB 1.280 38 residues pruned to eliminate duplicates Z: 23 14.176 1.894 0.652 0.352 0.864 0.500 CB 1.313 23 residues pruned to eliminate duplicates Z: 13 12.021 2.102 0.455 0.413 0.917 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 17 11.377 1.961 0.299 0.438 0.938 0.625 CB 1.269 17 residues pruned to eliminate duplicates Z: 42 18.977 1.956 0.446 0.403 0.854 0.512 CB 1.360 42 residues pruned to eliminate duplicates Z: 11 9.137 1.948 0.584 0.395 0.900 0.500 CB 1.162 11 residues pruned to eliminate duplicates Z: 11 12.386 2.062 0.637 0.434 0.900 0.700 CB 1.381 11 residues pruned to eliminate duplicates Z: 27 16.038 2.016 0.626 0.402 0.808 0.577 CB 1.318 27 residues pruned to eliminate duplicates Z: 43 16.120 1.898 0.468 0.353 0.762 0.524 CB 1.373 43 residues pruned to eliminate duplicates Z: 9 11.824 2.032 0.686 0.416 0.875 0.500 CA 1.523 9 residues pruned to eliminate duplicates Z: 82 45.335 2.135 0.614 0.560 0.938 0.556 CB 1.469 82 residues pruned to eliminate duplicates Z: 40 37.258 2.175 0.676 0.679 0.923 0.718 CB 1.505 40 residues pruned to eliminate duplicates Z: 82 40.751 2.085 0.628 0.532 0.914 0.568 CB 1.415 82 residues pruned to eliminate duplicates Z: 77 43.987 2.142 0.646 0.562 0.921 0.579 CB 1.464 77 residues pruned to eliminate duplicates Z: 42 34.889 2.170 0.667 0.597 0.902 0.610 CB 1.522 42 residues pruned to eliminate duplicates Z: 63 38.778 2.160 0.593 0.557 0.919 0.661 CB 1.472 63 residues pruned to eliminate duplicates Z: 30 43.572 2.242 0.852 0.795 0.966 0.828 CB 1.558 30 residues pruned to eliminate duplicates Z: 84 45.078 2.111 0.622 0.544 0.940 0.651 CB 1.472 84 residues pruned to eliminate duplicates Z: 31 39.475 2.197 0.687 0.777 1.000 0.767 CB 1.523 31 residues pruned to eliminate duplicates Z: 76 47.477 2.168 0.631 0.567 0.973 0.680 CB 1.494 76 residues pruned to eliminate duplicates Z: 25 28.251 2.172 0.655 0.659 1.000 0.833 CA 1.383 25 residues pruned to eliminate duplicates Z: 64 38.382 2.144 0.494 0.577 0.952 0.587 CB 1.471 64 residues pruned to eliminate duplicates Z: 68 47.529 2.183 0.773 0.583 0.970 0.612 CB 1.428 68 residues pruned to eliminate duplicates Z: 83 45.725 2.116 0.724 0.555 0.939 0.646 CB 1.398 83 residues pruned to eliminate duplicates Z: 30 41.125 2.192 0.758 0.769 1.000 0.793 CB 1.562 30 residues pruned to eliminate duplicates Z: 74 43.504 2.131 0.632 0.551 0.932 0.534 CB 1.495 74 residues pruned to eliminate duplicates Z: 31 39.988 2.206 0.864 0.723 0.967 0.767 CB 1.502 31 residues pruned to eliminate duplicates Z: 83 46.867 2.140 0.698 0.569 0.878 0.622 CB 1.518 83 residues pruned to eliminate duplicates Z: 45 43.676 2.204 0.695 0.701 0.977 0.750 CB 1.501 45 residues pruned to eliminate duplicates Z: 28 40.301 2.277 0.825 0.728 0.963 0.741 CB 1.578 28 residues pruned to eliminate duplicates Z: 76 46.974 2.164 0.715 0.555 0.960 0.627 CB 1.443 76 residues pruned to eliminate duplicates Z: 92 46.146 2.136 0.621 0.536 0.934 0.615 CB 1.444 92 residues pruned to eliminate duplicates Z: 25 17.079 1.944 0.703 0.411 0.875 0.542 CB 1.320 25 residues pruned to eliminate duplicates Z: 25 18.765 2.029 0.655 0.416 0.875 0.542 CB 1.424 25 residues pruned to eliminate duplicates Z: 72 48.311 2.170 0.703 0.581 0.944 0.592 CB 1.520 72 residues pruned to eliminate duplicates Z: 74 40.572 2.148 0.757 0.534 0.877 0.562 CB 1.387 74 residues pruned to eliminate duplicates Z: 65 50.864 2.177 0.858 0.600 0.969 0.531 CB 1.475 65 residues pruned to eliminate duplicates Z: 25 17.358 1.983 0.715 0.405 0.875 0.458 CB 1.316 25 residues pruned to eliminate duplicates Z: 25 21.852 2.089 0.809 0.350 0.917 0.583 CB 1.516 25 residues pruned to eliminate duplicates Z: 19 20.158 2.095 0.675 0.512 0.889 0.556 CB 1.505 19 residues pruned to eliminate duplicates Z: 24 17.371 1.967 0.599 0.386 0.913 0.565 CB 1.424 24 residues pruned to eliminate duplicates Z: 11 9.205 1.799 0.761 0.413 0.800 0.600 CB 1.257 11 residues pruned to eliminate duplicates Z: 74 47.175 2.147 0.700 0.570 0.945 0.507 CB 1.496 74 residues pruned to eliminate duplicates Z: 9 5.177 1.748 0.378 0.250 0.750 0.375 CB 1.351 7 residues pruned to eliminate duplicates Z: 10 14.254 1.828 0.816 0.776 0.889 0.667 CB 1.262 10 residues pruned to eliminate duplicates Z: 9 5.377 1.608 0.483 0.153 0.875 0.375 N 1.397 8 residues pruned to eliminate duplicates Z: 9 12.595 2.054 0.502 0.562 0.875 0.250 CB 1.553 9 residues pruned to eliminate duplicates Z: 7 4.166 1.910 0.031 0.354 0.667 0.333 CB 1.518 6 residues pruned to eliminate duplicates Z: 6 2.611 1.279 0.512 0.383 0.800 0.600 C 0.855 6 residues pruned to eliminate duplicates Z: 14 10.824 1.955 0.185 0.403 1.000 0.308 CA 1.436 14 residues pruned to eliminate duplicates Z: 21 12.850 1.839 0.591 0.346 0.850 0.350 CA 1.366 21 residues pruned to eliminate duplicates Z: 16 10.509 1.849 0.358 0.353 0.933 0.533 CA 1.358 16 residues pruned to eliminate duplicates Z: 31 17.540 1.947 0.472 0.403 0.867 0.433 CA 1.427 31 residues pruned to eliminate duplicates Z: 6 3.412 1.628 0.200 0.245 1.000 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 13 12.767 1.987 0.314 0.424 1.000 0.417 CA 1.528 13 residues pruned to eliminate duplicates Z: 30 14.084 1.888 0.324 0.438 0.828 0.483 CA 1.349 30 residues pruned to eliminate duplicates Z: 18 10.469 1.909 0.326 0.419 0.882 0.353 CA 1.236 18 residues pruned to eliminate duplicates Z: 18 14.333 1.849 0.694 0.413 0.882 0.294 CA 1.378 18 residues pruned to eliminate duplicates Z: 29 16.540 1.926 0.471 0.460 0.857 0.571 CA 1.341 29 residues pruned to eliminate duplicates Z: 22 11.481 1.803 0.592 0.323 0.857 0.571 CA 1.237 22 residues pruned to eliminate duplicates Z: 7 2.692 1.471 0.398 0.194 0.833 0.333 CA 0.923 7 residues pruned to eliminate duplicates Z: 20 11.647 1.885 0.336 0.422 0.842 0.474 CA 1.367 20 residues pruned to eliminate duplicates Z: 15 10.155 1.960 0.246 0.513 0.929 0.714 CA 1.181 15 residues pruned to eliminate duplicates Z: 29 16.330 1.950 0.405 0.434 0.893 0.500 CA 1.350 29 residues pruned to eliminate duplicates Z: 16 7.191 1.770 0.410 0.442 0.667 0.467 CA 1.184 16 residues pruned to eliminate duplicates Z: 13 7.913 1.881 0.434 0.415 0.750 0.583 CA 1.235 13 residues pruned to eliminate duplicates Z: 16 10.251 1.923 0.326 0.513 0.867 0.600 CA 1.182 16 residues pruned to eliminate duplicates Z: 13 8.962 1.813 0.440 0.450 0.750 0.583 CA 1.391 13 residues pruned to eliminate duplicates Z: 15 10.069 1.898 0.331 0.492 0.786 0.643 CA 1.366 15 residues pruned to eliminate duplicates Z: 31 15.950 1.928 0.270 0.475 0.867 0.433 CA 1.408 31 residues pruned to eliminate duplicates Z: 13 8.592 1.833 0.350 0.473 0.750 0.500 CA 1.374 13 residues pruned to eliminate duplicates Z: 13 9.728 1.893 0.346 0.547 0.833 0.583 CA 1.263 13 residues pruned to eliminate duplicates Z: 10 6.262 1.845 0.326 0.302 0.778 0.444 CB 1.368 10 residues pruned to eliminate duplicates Z: 12 5.419 1.562 0.263 0.367 0.909 0.455 CB 1.051 9 residues pruned to eliminate duplicates Z: 6 3.674 1.866 0.438 0.234 0.600 0.400 N 1.391 6 residues pruned to eliminate duplicates Z: 13 8.245 2.148 0.611 0.329 0.667 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 14 13.034 2.172 0.680 0.366 0.846 0.462 CB 1.351 13 residues pruned to eliminate duplicates Z: 6 2.879 1.722 0.665 0.287 0.800 0.000 CA 0.713 6 residues pruned to eliminate duplicates Z: 6 7.335 1.589 0.814 0.384 1.000 0.200 CA 1.287 Z: 6 4.491 1.499 0.663 0.470 1.000 0.400 C 0.830 Z: 6 3.481 1.406 1.210 0.460 0.600 0.400 N 0.870 Z: 23 18.306 2.068 0.655 0.436 0.864 0.545 CA 1.411 23 residues pruned to eliminate duplicates Z: 62 30.409 1.981 0.637 0.510 0.902 0.590 CA 1.319 62 residues pruned to eliminate duplicates Z: 50 35.022 2.085 0.599 0.569 0.939 0.673 CA 1.495 50 residues pruned to eliminate duplicates Z: 46 31.569 2.064 0.518 0.575 0.956 0.756 CA 1.463 46 residues pruned to eliminate duplicates Z: 20 17.954 1.916 0.607 0.499 0.947 0.632 CA 1.413 20 residues pruned to eliminate duplicates Z: 31 32.713 2.065 0.785 0.728 0.933 0.633 CB 1.413 31 residues pruned to eliminate duplicates Z: 30 31.840 2.081 0.631 0.779 0.966 0.828 CB 1.411 30 residues pruned to eliminate duplicates Z: 35 27.811 2.017 0.728 0.649 0.882 0.618 CB 1.349 113 residues pruned to eliminate duplicates Z: 6 4.910 1.605 1.215 0.320 0.600 0.400 CA 1.255 Z: 45 23.267 2.061 0.620 0.419 0.773 0.545 CB 1.479 45 residues pruned to eliminate duplicates Z: 35 25.869 2.047 0.554 0.621 0.882 0.706 CB 1.410 35 residues pruned to eliminate duplicates Z: 28 18.707 2.005 0.554 0.493 0.815 0.556 CA 1.429 28 residues pruned to eliminate duplicates Z: 32 23.774 2.003 0.687 0.550 0.968 0.581 CB 1.243 32 residues pruned to eliminate duplicates Z: 35 30.741 2.061 0.750 0.616 0.882 0.500 CB 1.485 35 residues pruned to eliminate duplicates Z: 47 32.724 2.064 0.752 0.509 0.891 0.609 CB 1.483 47 residues pruned to eliminate duplicates Z: 48 32.998 2.077 0.822 0.478 0.915 0.511 CB 1.421 48 residues pruned to eliminate duplicates Z: 33 28.804 2.049 0.639 0.661 0.938 0.656 CB 1.393 33 residues pruned to eliminate duplicates Z: 34 27.115 2.049 0.592 0.674 0.879 0.606 CB 1.402 34 residues pruned to eliminate duplicates Z: 23 25.198 2.075 0.920 0.640 0.955 0.682 CB 1.239 23 residues pruned to eliminate duplicates Z: 24 25.583 2.101 0.495 0.727 0.957 0.565 CB 1.447 24 residues pruned to eliminate duplicates Z: 29 25.536 2.081 0.652 0.667 0.893 0.607 CB 1.348 29 residues pruned to eliminate duplicates Z: 39 25.976 1.981 0.663 0.584 0.921 0.632 CB 1.280 39 residues pruned to eliminate duplicates Z: 65 38.466 2.010 0.677 0.598 0.938 0.656 CB 1.385 65 residues pruned to eliminate duplicates Z: 34 26.460 2.022 0.777 0.647 0.818 0.606 CB 1.365 34 residues pruned to eliminate duplicates Z: 35 27.944 2.018 0.694 0.657 0.912 0.588 CB 1.329 35 residues pruned to eliminate duplicates Z: 36 30.866 2.022 0.727 0.637 0.914 0.629 CB 1.437 36 residues pruned to eliminate duplicates Z: 28 24.858 2.032 0.685 0.644 0.889 0.593 CB 1.375 28 residues pruned to eliminate duplicates Z: 28 28.177 2.106 0.709 0.674 0.889 0.519 CB 1.443 28 residues pruned to eliminate duplicates Z: 34 28.479 2.052 0.590 0.646 0.879 0.636 CB 1.509 34 residues pruned to eliminate duplicates Z: 46 36.090 1.939 0.796 0.699 1.000 0.622 CB 1.288 41 residues pruned to eliminate duplicates Z: 21 36.811 2.082 0.783 0.927 1.000 0.750 CB 1.554 21 residues pruned to eliminate duplicates Z: 55 33.700 1.999 0.723 0.508 0.926 0.593 CB 1.426 55 residues pruned to eliminate duplicates Z: 41 23.244 1.898 0.518 0.585 0.900 0.550 CB 1.307 41 residues pruned to eliminate duplicates Z: 49 29.158 2.041 0.556 0.512 0.875 0.500 CB 1.497 49 residues pruned to eliminate duplicates Z: 34 32.495 2.044 0.644 0.676 0.970 0.697 CB 1.476 34 residues pruned to eliminate duplicates Z: 37 31.859 1.979 0.841 0.635 0.944 0.556 CB 1.360 37 residues pruned to eliminate duplicates Z: 24 19.297 1.837 0.843 0.586 0.957 0.565 CB 1.144 24 residues pruned to eliminate duplicates Z: 16 15.299 1.760 0.695 0.685 0.933 0.200 CB 1.197 16 residues pruned to eliminate duplicates Z: 63 39.543 2.006 0.736 0.581 0.935 0.565 CB 1.426 58 residues pruned to eliminate duplicates Z: 10 18.062 1.833 0.845 0.909 1.000 0.556 CA 1.263 10 residues pruned to eliminate duplicates Z: 61 37.875 1.997 0.661 0.560 0.950 0.550 CB 1.463 22 residues pruned to eliminate duplicates Z: 11 16.413 1.755 0.704 0.907 1.000 0.500 CA 1.233 11 residues pruned to eliminate duplicates Z: 20 13.169 1.678 0.586 0.545 0.789 0.526 CA 1.376 20 residues pruned to eliminate duplicates Z: 61 31.341 2.014 0.582 0.503 0.867 0.467 CB 1.460 61 residues pruned to eliminate duplicates Z: 37 29.475 1.940 0.675 0.756 0.944 0.583 CB 1.274 37 residues pruned to eliminate duplicates Z: 64 41.163 2.025 0.721 0.599 0.937 0.571 CB 1.446 64 residues pruned to eliminate duplicates Z: 63 33.583 1.984 0.538 0.541 0.935 0.516 CA 1.436 32 residues pruned to eliminate duplicates Z: 14 12.321 1.800 0.806 0.608 0.923 0.154 CB 1.028 Z: 7 3.193 1.390 0.530 0.506 1.000 0.833 CA 0.609 7 residues pruned to eliminate duplicates Z: 48 26.744 1.996 0.580 0.474 0.915 0.681 CA 1.389 48 residues pruned to eliminate duplicates Z: 30 21.649 2.080 0.622 0.376 0.931 0.483 CA 1.461 30 residues pruned to eliminate duplicates Z: 63 32.097 1.929 0.719 0.496 0.919 0.597 CB 1.343 63 residues pruned to eliminate duplicates Z: 31 15.204 1.976 0.283 0.441 0.967 0.633 CB 1.203 31 residues pruned to eliminate duplicates Z: 30 15.541 1.940 0.319 0.429 0.966 0.586 CB 1.258 30 residues pruned to eliminate duplicates Z: 47 19.055 1.988 0.282 0.413 0.848 0.457 CB 1.424 47 residues pruned to eliminate duplicates Z: 31 18.385 1.983 0.410 0.459 0.967 0.567 CB 1.295 33 residues pruned to eliminate duplicates Z: 7 6.969 1.778 0.139 0.493 1.000 0.667 CA 1.414 7 residues pruned to eliminate duplicates Z: 30 15.824 1.962 0.411 0.415 0.862 0.552 CB 1.345 30 residues pruned to eliminate duplicates Z: 30 16.205 1.946 0.325 0.414 0.966 0.517 CB 1.323 30 residues pruned to eliminate duplicates Z: 29 15.819 1.970 0.378 0.413 0.964 0.643 CB 1.251 29 residues pruned to eliminate duplicates Z: 6 4.678 1.832 0.390 0.293 0.800 0.200 CB 1.296 6 residues pruned to eliminate duplicates Z: 29 17.274 2.007 0.368 0.441 0.964 0.571 CB 1.311 29 residues pruned to eliminate duplicates Z: 30 15.848 1.983 0.300 0.424 0.966 0.552 CB 1.279 30 residues pruned to eliminate duplicates Z: 32 16.621 1.947 0.329 0.428 1.000 0.677 CB 1.243 32 residues pruned to eliminate duplicates Z: 31 19.132 2.010 0.431 0.469 0.933 0.567 CB 1.343 31 residues pruned to eliminate duplicates Z: 31 16.864 1.940 0.352 0.428 1.000 0.667 CB 1.266 31 residues pruned to eliminate duplicates Z: 29 15.045 1.949 0.303 0.407 0.964 0.571 CB 1.280 29 residues pruned to eliminate duplicates Z: 29 16.864 1.982 0.378 0.407 1.000 0.607 CB 1.287 29 residues pruned to eliminate duplicates Z: 28 14.204 1.864 0.314 0.416 0.926 0.444 CA 1.316 28 residues pruned to eliminate duplicates Z: 22 15.660 2.012 0.425 0.433 0.952 0.667 CA 1.342 22 residues pruned to eliminate duplicates Z: 29 16.513 1.988 0.444 0.410 0.929 0.500 CB 1.286 29 residues pruned to eliminate duplicates Z: 29 16.598 1.998 0.377 0.434 0.964 0.500 CB 1.266 29 residues pruned to eliminate duplicates Z: 30 17.738 1.989 0.432 0.423 0.966 0.552 CB 1.298 30 residues pruned to eliminate duplicates Z: 33 17.860 1.910 0.396 0.443 1.000 0.594 CB 1.255 33 residues pruned to eliminate duplicates Z: 30 16.616 1.986 0.329 0.430 0.966 0.586 CB 1.302 30 residues pruned to eliminate duplicates Z: 31 17.160 1.984 0.290 0.456 0.967 0.600 CB 1.325 31 residues pruned to eliminate duplicates Z: 30 16.933 1.984 0.350 0.428 0.966 0.586 CB 1.310 30 residues pruned to eliminate duplicates Z: 31 19.338 1.994 0.462 0.444 0.967 0.600 CB 1.327 31 residues pruned to eliminate duplicates Z: 7 2.597 1.317 0.502 0.295 0.833 0.500 CA 0.808 7 residues pruned to eliminate duplicates Z: 50 19.980 1.968 0.345 0.411 0.857 0.510 CB 1.381 50 residues pruned to eliminate duplicates Z: 11 15.271 2.025 0.456 0.575 1.000 0.700 CA 1.524 11 residues pruned to eliminate duplicates Z: 49 21.044 1.948 0.319 0.415 0.938 0.583 CB 1.378 49 residues pruned to eliminate duplicates Z: 20 13.480 1.887 0.378 0.421 0.895 0.526 CA 1.444 20 residues pruned to eliminate duplicates Z: 17 12.413 1.940 0.307 0.415 0.875 0.688 CA 1.527 17 residues pruned to eliminate duplicates Z: 19 12.456 1.920 0.396 0.365 0.833 0.556 CA 1.519 24 residues pruned to eliminate duplicates Z: 7 6.603 1.842 0.167 0.479 1.000 0.167 CA 1.280 7 residues pruned to eliminate duplicates Z: 19 12.597 1.944 0.243 0.352 0.944 0.444 CB 1.527 19 residues pruned to eliminate duplicates Z: 6 8.455 1.758 0.825 0.429 0.800 0.600 CB 1.585 6 residues pruned to eliminate duplicates Z: 9 13.616 1.877 1.016 0.532 1.000 0.875 CA 1.233 9 residues pruned to eliminate duplicates Z: 11 13.558 1.922 0.853 0.508 1.000 0.700 CB 1.194 26 residues pruned to eliminate duplicates Z: 6 3.904 1.776 0.568 0.335 0.600 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 47 19.597 1.947 0.247 0.422 0.913 0.652 CB 1.413 47 residues pruned to eliminate duplicates Z: 19 13.526 2.008 0.125 0.487 0.944 0.778 CA 1.513 19 residues pruned to eliminate duplicates Z: 24 16.270 2.003 0.182 0.544 0.957 0.739 CB 1.434 24 residues pruned to eliminate duplicates Z: 14 10.669 2.036 0.192 0.549 0.846 0.846 CB 1.374 14 residues pruned to eliminate duplicates Z: 25 16.382 2.006 0.223 0.506 0.958 0.750 CA 1.413 25 residues pruned to eliminate duplicates Z: 16 10.183 1.904 0.387 0.483 0.867 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 24 13.674 1.971 0.186 0.521 0.913 0.783 CA 1.308 24 residues pruned to eliminate duplicates Z: 25 12.329 1.898 0.052 0.488 0.875 0.542 CB 1.457 25 residues pruned to eliminate duplicates Z: 12 8.123 2.013 0.246 0.541 0.909 0.818 CA 1.033 12 residues pruned to eliminate duplicates Z: 13 6.807 1.898 0.147 0.458 0.833 0.583 CA 1.130 13 residues pruned to eliminate duplicates Z: 36 15.366 1.907 0.288 0.401 0.857 0.514 CB 1.369 36 residues pruned to eliminate duplicates Z: 36 18.224 1.974 0.343 0.419 0.914 0.571 CB 1.383 36 residues pruned to eliminate duplicates Z: 28 16.674 1.947 0.488 0.447 0.889 0.704 CA 1.315 28 residues pruned to eliminate duplicates Z: 27 16.510 1.954 0.403 0.406 0.962 0.462 CB 1.355 27 residues pruned to eliminate duplicates Z: 41 21.317 1.977 0.460 0.410 0.925 0.575 CB 1.387 41 residues pruned to eliminate duplicates Z: 42 18.016 1.941 0.321 0.402 0.878 0.537 CB 1.386 42 residues pruned to eliminate duplicates Z: 23 9.214 1.873 0.455 0.264 0.727 0.364 CB 1.297 23 residues pruned to eliminate duplicates Z: 14 9.217 1.857 0.458 0.434 0.923 0.615 CA 1.095 14 residues pruned to eliminate duplicates Z: 17 11.147 1.960 0.458 0.301 0.938 0.438 CB 1.298 17 residues pruned to eliminate duplicates Z: 12 7.059 1.805 0.365 0.380 0.818 0.455 CB 1.200 12 residues pruned to eliminate duplicates Z: 11 6.958 1.854 0.123 0.364 0.900 0.500 CB 1.359 11 residues pruned to eliminate duplicates Z: 18 7.673 1.778 0.221 0.219 0.941 0.294 CB 1.266 18 residues pruned to eliminate duplicates Z: 27 13.870 1.871 0.384 0.360 0.846 0.500 CB 1.443 27 residues pruned to eliminate duplicates Z: 13 5.966 1.833 0.228 0.297 0.750 0.333 CB 1.280 13 residues pruned to eliminate duplicates Z: 16 9.745 1.915 0.368 0.244 0.933 0.267 CB 1.383 16 residues pruned to eliminate duplicates Z: 23 11.108 1.821 0.263 0.293 0.864 0.227 CB 1.503 23 residues pruned to eliminate duplicates Z: 35 19.960 1.977 0.334 0.532 0.882 0.471 CB 1.426 35 residues pruned to eliminate duplicates Z: 56 20.717 1.910 0.405 0.441 0.873 0.527 CB 1.267 56 residues pruned to eliminate duplicates Z: 6 7.102 2.024 0.617 0.241 1.000 0.400 CB 1.309 6 residues pruned to eliminate duplicates Z: 18 12.086 1.884 0.388 0.372 0.882 0.471 CA 1.458 18 residues pruned to eliminate duplicates Z: 34 16.494 1.890 0.501 0.369 0.909 0.424 CA 1.282 34 residues pruned to eliminate duplicates Z: 21 13.882 1.886 0.436 0.390 0.900 0.350 CA 1.430 21 residues pruned to eliminate duplicates Z: 27 11.385 1.825 0.426 0.307 0.885 0.269 CB 1.203 27 residues pruned to eliminate duplicates Z: 28 14.928 1.900 0.498 0.388 0.852 0.519 CB 1.335 28 residues pruned to eliminate duplicates Z: 11 9.583 1.884 0.485 0.356 0.900 0.300 CA 1.405 11 residues pruned to eliminate duplicates Z: 32 15.556 1.907 0.486 0.356 0.871 0.355 CA 1.322 32 residues pruned to eliminate duplicates Z: 32 16.253 1.965 0.460 0.316 0.903 0.419 CB 1.381 32 residues pruned to eliminate duplicates Z: 34 18.659 1.926 0.445 0.365 0.909 0.364 CB 1.484 34 residues pruned to eliminate duplicates Z: 40 14.114 1.922 0.348 0.301 0.795 0.410 CB 1.370 40 residues pruned to eliminate duplicates Z: 28 15.319 1.913 0.447 0.340 0.926 0.444 CA 1.369 28 residues pruned to eliminate duplicates Z: 21 7.952 1.809 0.386 0.225 0.850 0.450 CB 1.152 21 residues pruned to eliminate duplicates Z: 22 11.203 1.876 0.303 0.305 0.952 0.571 CB 1.304 22 residues pruned to eliminate duplicates Z: 24 10.848 1.897 0.295 0.338 0.913 0.522 CB 1.204 24 residues pruned to eliminate duplicates Z: 23 12.628 1.839 0.368 0.326 1.000 0.455 CA 1.296 23 residues pruned to eliminate duplicates Z: 21 11.310 1.893 0.387 0.345 0.900 0.450 CA 1.266 21 residues pruned to eliminate duplicates Z: 21 13.069 1.934 0.430 0.316 0.950 0.550 CA 1.363 21 residues pruned to eliminate duplicates Z: 15 8.817 1.859 0.191 0.441 0.929 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 22 12.573 1.884 0.322 0.311 1.000 0.381 CA 1.358 22 residues pruned to eliminate duplicates Z: 17 6.679 1.869 0.263 0.306 0.688 0.312 CB 1.275 17 residues pruned to eliminate duplicates Z: 13 8.292 1.844 0.485 0.311 0.833 0.500 CA 1.293 13 residues pruned to eliminate duplicates Z: 30 11.888 1.857 0.291 0.239 0.897 0.448 CA 1.390 30 residues pruned to eliminate duplicates Z: 14 8.081 1.956 0.161 0.340 0.923 0.538 CA 1.273 14 residues pruned to eliminate duplicates Z: 23 10.873 1.816 0.334 0.345 0.864 0.409 CB 1.311 23 residues pruned to eliminate duplicates Z: 43 17.329 1.889 0.422 0.309 0.905 0.476 CB 1.361 43 residues pruned to eliminate duplicates Z: 13 7.931 1.915 0.167 0.351 0.917 0.500 CA 1.313 13 residues pruned to eliminate duplicates Z: 6 4.582 1.855 0.375 0.414 1.000 0.400 CB 0.879 6 residues pruned to eliminate duplicates Z: 35 16.558 2.010 0.397 0.378 0.794 0.471 CB 1.451 35 residues pruned to eliminate duplicates Z: 19 12.664 1.960 0.449 0.337 0.889 0.500 N 1.413 19 residues pruned to eliminate duplicates Z: 37 18.350 1.991 0.359 0.346 0.944 0.472 CB 1.414 37 residues pruned to eliminate duplicates Z: 15 10.597 1.971 0.448 0.425 0.857 0.643 CB 1.252 15 residues pruned to eliminate duplicates Z: 50 18.993 1.968 0.340 0.325 0.878 0.367 CA 1.422 50 residues pruned to eliminate duplicates Z: 19 7.547 1.895 0.273 0.295 0.778 0.389 CB 1.192 19 residues pruned to eliminate duplicates Z: 20 14.900 1.972 0.421 0.434 0.895 0.474 CB 1.460 20 residues pruned to eliminate duplicates Z: 35 14.455 2.014 0.267 0.336 0.765 0.529 CA 1.519 35 residues pruned to eliminate duplicates Z: 15 10.807 2.030 0.453 0.382 0.857 0.357 CB 1.296 15 residues pruned to eliminate duplicates Z: 13 8.174 2.145 0.196 0.344 0.750 0.500 CB 1.453 13 residues pruned to eliminate duplicates Z: 23 14.316 1.977 0.393 0.401 0.864 0.591 CA 1.424 23 residues pruned to eliminate duplicates Z: 15 10.759 2.078 0.320 0.352 0.786 0.429 CB 1.566 15 residues pruned to eliminate duplicates Z: 13 9.671 2.083 0.509 0.316 0.750 0.417 CB 1.450 13 residues pruned to eliminate duplicates Z: 15 8.650 1.986 0.513 0.347 0.643 0.357 CB 1.413 15 residues pruned to eliminate duplicates Z: 27 12.018 2.069 0.231 0.326 0.769 0.423 CB 1.456 27 residues pruned to eliminate duplicates Z: 23 13.617 2.033 0.480 0.322 0.773 0.364 CB 1.519 23 residues pruned to eliminate duplicates Z: 34 16.938 2.041 0.473 0.354 0.758 0.394 CB 1.515 34 residues pruned to eliminate duplicates Z: 31 16.028 2.037 0.598 0.328 0.767 0.467 CB 1.416 31 residues pruned to eliminate duplicates Z: 18 10.879 2.091 0.342 0.328 0.824 0.353 CB 1.379 18 residues pruned to eliminate duplicates Z: 17 9.016 1.848 0.398 0.228 0.812 0.375 C 1.476 17 residues pruned to eliminate duplicates Z: 46 27.116 2.036 0.458 0.494 0.889 0.600 CB 1.541 46 residues pruned to eliminate duplicates Z: 12 8.236 1.986 0.315 0.318 0.727 0.364 N 1.599 12 residues pruned to eliminate duplicates Z: 31 12.679 1.931 0.459 0.269 0.700 0.367 CB 1.527 31 residues pruned to eliminate duplicates Z: 26 14.190 2.075 0.333 0.323 0.800 0.440 CB 1.559 26 residues pruned to eliminate duplicates Z: 46 29.489 2.069 0.458 0.472 0.933 0.578 CB 1.606 46 residues pruned to eliminate duplicates Z: 12 13.899 1.910 0.601 0.360 1.000 0.545 C 1.592 12 residues pruned to eliminate duplicates Z: 47 29.451 2.113 0.526 0.420 0.913 0.500 CA 1.602 40 residues pruned to eliminate duplicates Z: 19 20.747 2.085 0.331 0.820 1.000 0.778 CB 1.334 13 residues pruned to eliminate duplicates Z: 18 19.034 2.156 0.207 0.814 0.882 0.824 CB 1.530 18 residues pruned to eliminate duplicates Z: 32 24.489 2.043 0.502 0.545 0.839 0.581 CB 1.635 33 residues pruned to eliminate duplicates Z: 15 20.435 2.246 0.319 0.891 1.000 0.714 CB 1.325 15 residues pruned to eliminate duplicates Z: 22 22.882 2.055 0.522 0.679 0.905 0.619 CB 1.496 22 residues pruned to eliminate duplicates Z: 30 24.405 2.010 0.437 0.620 0.862 0.690 CB 1.626 30 residues pruned to eliminate duplicates Z: 30 35.099 2.130 0.571 0.656 0.966 0.724 CB 1.746 30 residues pruned to eliminate duplicates Z: 16 20.195 2.151 0.621 0.800 0.800 0.467 CB 1.438 16 residues pruned to eliminate duplicates Z: 22 21.474 2.071 0.520 0.675 0.857 0.619 CB 1.477 21 residues pruned to eliminate duplicates Z: 17 21.651 2.062 0.455 0.847 1.000 0.625 CB 1.339 17 residues pruned to eliminate duplicates Z: 32 29.422 2.092 0.461 0.580 0.935 0.613 CB 1.711 32 residues pruned to eliminate duplicates Z: 34 23.552 1.994 0.402 0.561 0.848 0.455 CA 1.629 34 residues pruned to eliminate duplicates Z: 15 21.131 2.038 0.576 0.889 0.857 0.500 CB 1.477 15 residues pruned to eliminate duplicates Z: 30 29.088 2.031 0.597 0.675 0.931 0.621 CB 1.522 30 residues pruned to eliminate duplicates Z: 13 22.105 2.034 0.928 0.841 0.917 0.583 CB 1.324 13 residues pruned to eliminate duplicates Z: 26 26.380 2.088 0.552 0.572 0.920 0.440 CB 1.651 26 residues pruned to eliminate duplicates Z: 54 33.607 2.126 0.580 0.466 0.943 0.528 CB 1.507 54 residues pruned to eliminate duplicates Z: 33 17.867 1.899 0.516 0.519 0.844 0.438 CB 1.276 33 residues pruned to eliminate duplicates Z: 9 7.081 1.696 0.213 0.456 0.875 0.625 O 1.454 9 residues pruned to eliminate duplicates Z: 8 7.332 1.859 0.157 0.473 1.000 0.286 CB 1.324 8 residues pruned to eliminate duplicates Z: 28 21.414 2.145 0.646 0.375 0.926 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 51 29.143 2.050 0.635 0.461 0.840 0.560 CB 1.524 51 residues pruned to eliminate duplicates Z: 30 23.219 2.146 0.663 0.415 0.931 0.621 CB 1.419 30 residues pruned to eliminate duplicates Z: 29 22.161 2.151 0.652 0.420 0.893 0.571 CB 1.434 29 residues pruned to eliminate duplicates Z: 32 20.503 2.049 0.619 0.399 0.839 0.581 CB 1.473 32 residues pruned to eliminate duplicates Z: 27 23.990 2.210 0.653 0.367 0.962 0.538 CB 1.545 27 residues pruned to eliminate duplicates Z: 63 28.698 2.007 0.609 0.407 0.839 0.419 CB 1.484 63 residues pruned to eliminate duplicates Z: 53 31.354 2.095 0.612 0.465 0.904 0.404 CB 1.477 27 residues pruned to eliminate duplicates Z: 6 5.906 1.603 0.466 0.452 1.000 0.800 CA 1.180 6 residues pruned to eliminate duplicates Z: 14 8.458 2.104 0.392 0.194 0.923 0.231 CB 1.251 14 residues pruned to eliminate duplicates Z: 13 7.229 1.917 0.516 0.191 0.750 0.167 CA 1.386 13 residues pruned to eliminate duplicates Z: 27 17.734 2.086 0.584 0.341 0.808 0.462 CB 1.549 27 residues pruned to eliminate duplicates Z: 30 22.616 2.112 0.573 0.383 0.931 0.552 CB 1.538 30 residues pruned to eliminate duplicates Z: 31 22.130 2.101 0.548 0.403 0.900 0.500 CB 1.528 36 residues pruned to eliminate duplicates Z: 7 3.624 1.636 0.353 0.450 0.833 0.667 CB 0.844 Z: 7 3.332 1.415 1.062 0.129 0.833 0.167 CB 0.890 14 residues pruned to eliminate duplicates 720 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 11 D: 7 E: 56 F: 9 G: 11 H: 26 I: 107 J: 147 K: 29 L: 22 M: 16 N: 63 O: 27 P: 22 Q: 147 R: 6 CC for partial structure against native data = 27.82 % ------------------------------------------------------------------------------ Global autotracing cycle 21 = 0.300, Contrast = 0.406, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.541, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.545, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6730 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1284 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 12.685 1.890 0.355 0.422 0.842 0.684 CA 1.464 B: 21 13.565 1.911 0.478 0.398 0.900 0.650 CB 1.329 C: 21 41.617 2.265 0.770 0.923 1.000 0.750 CB 1.632 D: 8 7.349 1.645 0.303 0.873 0.857 0.714 CA 1.101 E: 20 25.795 2.061 0.488 0.877 0.947 0.632 CA 1.479 F: 21 25.488 2.048 0.479 0.897 0.950 0.700 CA 1.417 20 residues pruned to eliminate duplicates G: 19 27.975 2.146 0.516 0.896 0.944 0.722 CA 1.538 19 residues pruned to eliminate duplicates H: 20 45.595 2.358 0.831 0.901 1.000 0.895 CB 1.729 21 residues pruned to eliminate duplicates I: 22 29.500 2.188 0.398 0.888 1.000 0.762 CB 1.516 22 residues pruned to eliminate duplicates J: 16 20.154 2.141 0.252 0.890 1.000 0.667 CB 1.397 K: 21 44.826 2.254 1.004 0.925 1.000 0.600 CA 1.556 21 residues pruned to eliminate duplicates L: 30 18.468 2.113 0.430 0.319 0.862 0.448 CA 1.606 8 residues pruned to eliminate duplicates M: 45 13.662 1.846 0.381 0.313 0.818 0.409 CB 1.214 20 residues pruned to eliminate duplicates N: 20 27.244 2.142 0.326 0.905 1.000 0.789 CA 1.566 20 residues pruned to eliminate duplicates O: 10 11.066 1.958 0.563 0.626 0.889 0.667 CB 1.204 P: 10 9.259 1.564 0.504 0.833 0.889 0.444 CB 1.107 7 residues pruned to eliminate duplicates Q: 12 19.290 2.042 0.337 0.890 1.000 0.727 CB 1.532 R: 20 25.025 2.052 0.369 0.914 1.000 0.842 CA 1.446 12 residues pruned to eliminate duplicates S: 21 44.186 2.342 0.848 0.858 0.950 0.450 CB 1.770 21 residues pruned to eliminate duplicates T: 10 19.521 2.131 0.775 0.890 1.000 0.778 CB 1.238 U: 17 20.052 2.093 0.477 0.852 0.938 0.562 CB 1.279 15 residues pruned to eliminate duplicates V: 22 34.781 2.210 0.596 0.919 0.952 0.905 CB 1.592 22 residues pruned to eliminate duplicates W: 9 14.016 2.210 0.387 0.831 0.875 0.750 CB 1.388 X: 31 11.323 1.813 0.169 0.372 0.867 0.500 CA 1.291 Y: 7 6.192 1.540 0.282 0.631 1.000 0.500 O 1.133 7 residues pruned to eliminate duplicates Z: 10 11.208 1.658 0.370 0.808 1.000 0.556 CA 1.258 Z: 28 24.065 2.098 0.436 0.655 0.926 0.741 CA 1.437 17 residues pruned to eliminate duplicates Z: 25 19.313 2.107 0.655 0.441 0.875 0.500 CB 1.373 Z: 21 25.488 1.984 0.409 0.891 0.950 0.800 CA 1.543 21 residues pruned to eliminate duplicates Z: 10 10.983 1.728 0.463 0.751 0.889 0.556 CB 1.303 10 residues pruned to eliminate duplicates Z: 25 15.914 1.984 0.474 0.431 0.917 0.542 CB 1.301 Z: 10 8.389 1.883 0.319 0.556 0.889 0.444 CB 1.199 Z: 18 24.257 2.097 0.370 0.907 1.000 0.941 CA 1.455 18 residues pruned to eliminate duplicates Z: 24 16.384 2.112 0.612 0.349 0.783 0.435 CA 1.510 20 residues pruned to eliminate duplicates Z: 48 33.054 2.021 0.558 0.624 0.957 0.660 CA 1.423 44 residues pruned to eliminate duplicates Z: 11 15.497 2.143 0.487 0.559 0.900 0.500 CB 1.614 11 residues pruned to eliminate duplicates Z: 10 8.442 1.923 0.254 0.449 0.778 0.556 CB 1.580 10 residues pruned to eliminate duplicates Z: 21 38.325 2.248 0.583 0.879 1.000 0.850 CA 1.746 21 residues pruned to eliminate duplicates Z: 27 19.282 2.076 0.520 0.355 0.885 0.538 CB 1.584 27 residues pruned to eliminate duplicates Z: 9 9.207 1.568 0.629 0.901 1.000 0.875 CB 0.910 9 residues pruned to eliminate duplicates Z: 7 15.679 2.049 0.733 0.817 1.000 0.667 CB 1.369 9 residues pruned to eliminate duplicates Z: 25 10.920 1.850 0.170 0.390 0.917 0.625 CB 1.262 Z: 23 12.083 1.768 0.353 0.428 0.955 0.545 CB 1.215 Z: 22 28.796 1.919 0.589 0.898 1.000 0.857 CB 1.474 21 residues pruned to eliminate duplicates Z: 10 8.428 1.921 0.691 0.388 0.667 0.556 CA 1.461 Z: 19 27.261 2.111 0.397 0.911 1.000 0.722 CA 1.544 19 residues pruned to eliminate duplicates Z: 21 26.767 1.959 0.589 0.889 1.000 0.650 CB 1.385 21 residues pruned to eliminate duplicates Z: 39 15.902 1.950 0.488 0.325 0.816 0.474 CB 1.322 5 residues pruned to eliminate duplicates Z: 14 15.189 1.820 0.641 0.786 0.923 0.692 CB 1.188 9 residues pruned to eliminate duplicates Z: 22 36.716 2.176 0.693 0.901 1.000 0.905 CB 1.553 21 residues pruned to eliminate duplicates Z: 12 9.698 1.953 0.472 0.412 0.909 0.545 CA 1.227 Z: 21 40.480 2.292 0.829 0.910 0.950 0.700 CB 1.613 21 residues pruned to eliminate duplicates Z: 10 19.806 2.152 0.744 0.877 1.000 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 20 13.663 1.839 0.510 0.439 0.895 0.579 CB 1.343 Z: 6 5.059 1.910 0.545 0.524 0.800 0.400 CB 0.936 6 residues pruned to eliminate duplicates Z: 22 16.296 1.985 0.488 0.487 0.857 0.619 CB 1.423 22 residues pruned to eliminate duplicates Z: 12 8.021 1.869 0.260 0.471 0.818 0.727 CA 1.293 12 residues pruned to eliminate duplicates Z: 17 17.476 2.001 0.305 0.862 1.000 0.875 CB 1.228 17 residues pruned to eliminate duplicates Z: 18 18.653 2.087 0.303 0.860 0.941 0.706 CB 1.300 18 residues pruned to eliminate duplicates Z: 18 21.335 2.087 0.351 0.891 1.000 0.765 CB 1.319 18 residues pruned to eliminate duplicates Z: 21 40.256 2.292 0.771 0.894 1.000 0.600 CB 1.591 21 residues pruned to eliminate duplicates Z: 33 31.214 2.129 0.620 0.594 0.906 0.625 CA 1.613 27 residues pruned to eliminate duplicates Z: 19 11.085 1.884 0.408 0.393 0.778 0.556 CA 1.418 11 residues pruned to eliminate duplicates Z: 23 16.279 2.059 0.402 0.532 0.909 0.636 CB 1.282 9 residues pruned to eliminate duplicates Z: 29 16.167 2.008 0.373 0.495 0.893 0.679 CB 1.247 29 residues pruned to eliminate duplicates Z: 60 41.599 2.144 0.654 0.599 0.915 0.610 CB 1.519 63 residues pruned to eliminate duplicates Z: 11 19.593 2.168 0.605 0.843 1.000 0.400 CB 1.326 11 residues pruned to eliminate duplicates Z: 12 9.994 1.629 0.420 0.824 0.818 0.455 CA 1.203 8 residues pruned to eliminate duplicates Z: 14 7.560 2.031 0.132 0.392 0.769 0.538 CB 1.329 14 residues pruned to eliminate duplicates Z: 27 12.898 1.724 0.300 0.492 0.885 0.538 CB 1.286 8 residues pruned to eliminate duplicates Z: 24 9.936 1.907 0.400 0.352 0.739 0.391 CB 1.232 24 residues pruned to eliminate duplicates Z: 7 3.321 1.894 0.684 0.385 0.667 0.333 CB 0.721 7 residues pruned to eliminate duplicates Z: 32 13.096 1.940 0.301 0.391 0.839 0.484 CB 1.248 35 residues pruned to eliminate duplicates Z: 14 6.407 1.781 0.343 0.319 0.692 0.308 CA 1.310 14 residues pruned to eliminate duplicates Z: 21 40.924 2.235 0.860 0.901 1.000 0.700 CB 1.572 21 residues pruned to eliminate duplicates Z: 11 10.668 1.759 0.672 0.499 0.900 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 15 20.632 2.198 0.527 0.926 0.857 0.500 CB 1.344 17 residues pruned to eliminate duplicates Z: 24 9.527 1.936 0.209 0.359 0.783 0.522 CB 1.263 24 residues pruned to eliminate duplicates Z: 12 7.620 1.785 0.407 0.516 0.818 0.545 CB 1.100 11 residues pruned to eliminate duplicates Z: 31 24.725 2.084 0.590 0.506 0.933 0.567 CB 1.451 33 residues pruned to eliminate duplicates Z: 21 27.604 2.059 0.427 0.870 0.950 0.750 CA 1.615 21 residues pruned to eliminate duplicates Z: 11 13.019 2.067 0.391 0.840 1.000 0.500 CB 1.069 11 residues pruned to eliminate duplicates Z: 19 25.844 2.049 0.518 0.865 1.000 0.667 CB 1.435 17 residues pruned to eliminate duplicates Z: 11 12.235 1.698 0.463 0.883 0.900 0.800 CB 1.251 11 residues pruned to eliminate duplicates Z: 14 8.323 1.842 0.279 0.495 0.846 0.615 CB 1.165 15 residues pruned to eliminate duplicates Z: 42 20.166 1.996 0.366 0.527 0.829 0.463 CA 1.356 42 residues pruned to eliminate duplicates Z: 14 8.640 1.961 0.146 0.358 0.923 0.692 CA 1.346 14 residues pruned to eliminate duplicates Z: 12 6.592 1.857 0.135 0.424 0.909 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 21 29.510 2.029 0.588 0.909 0.950 0.750 CB 1.530 21 residues pruned to eliminate duplicates Z: 17 23.201 2.123 0.515 0.880 1.000 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 23 18.724 2.101 0.492 0.462 0.864 0.409 CA 1.533 23 residues pruned to eliminate duplicates Z: 13 11.326 1.792 0.118 0.857 1.000 0.750 CB 1.203 13 residues pruned to eliminate duplicates Z: 9 8.641 1.921 0.145 0.815 0.875 0.625 CA 1.207 9 residues pruned to eliminate duplicates Z: 17 22.950 1.953 0.405 0.892 1.000 0.875 CA 1.502 16 residues pruned to eliminate duplicates Z: 20 16.934 1.958 0.184 0.883 1.000 0.737 CB 1.211 20 residues pruned to eliminate duplicates Z: 20 44.320 2.284 1.110 0.886 0.947 0.526 CB 1.607 20 residues pruned to eliminate duplicates Z: 12 7.468 1.700 0.414 0.420 0.909 0.545 CA 1.121 12 residues pruned to eliminate duplicates Z: 21 21.059 1.878 0.563 0.843 0.900 0.700 CB 1.328 21 residues pruned to eliminate duplicates Z: 21 24.915 1.998 0.424 0.882 1.000 0.700 CB 1.417 21 residues pruned to eliminate duplicates Z: 6 6.779 1.635 0.319 0.774 1.000 0.600 CB 1.103 Z: 14 18.202 1.929 0.501 0.721 1.000 0.615 CB 1.428 16 residues pruned to eliminate duplicates Z: 75 33.974 2.079 0.450 0.516 0.865 0.500 CA 1.492 75 residues pruned to eliminate duplicates Z: 20 4.799 1.762 0.024 0.288 0.895 0.526 CB 0.865 20 residues pruned to eliminate duplicates Z: 11 11.215 1.636 0.501 0.826 0.900 0.600 CB 1.211 11 residues pruned to eliminate duplicates Z: 14 5.022 1.948 0.112 0.366 0.615 0.538 CB 1.207 14 residues pruned to eliminate duplicates Z: 21 30.037 2.140 0.529 0.890 1.000 0.850 CB 1.477 21 residues pruned to eliminate duplicates Z: 14 6.225 1.804 0.411 0.364 0.769 0.615 CB 1.021 Z: 15 6.888 1.603 0.349 0.488 0.929 0.571 CB 0.928 13 residues pruned to eliminate duplicates Z: 27 15.269 1.887 0.396 0.463 0.923 0.385 CB 1.278 23 residues pruned to eliminate duplicates Z: 11 7.040 1.900 0.227 0.381 0.900 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 45 33.045 2.043 0.610 0.602 0.909 0.614 CA 1.512 23 residues pruned to eliminate duplicates Z: 7 6.268 1.804 0.612 0.516 0.667 0.333 CB 1.299 7 residues pruned to eliminate duplicates Z: 15 36.325 2.312 0.871 0.884 0.929 0.500 CA 1.747 15 residues pruned to eliminate duplicates Z: 7 3.294 1.781 0.043 0.316 0.667 0.500 CB 1.330 Z: 12 9.032 1.818 0.364 0.477 0.818 0.545 CA 1.374 Z: 27 14.160 1.967 0.557 0.275 0.885 0.346 CB 1.322 31 residues pruned to eliminate duplicates Z: 53 40.337 2.140 0.677 0.655 0.923 0.731 CB 1.463 55 residues pruned to eliminate duplicates Z: 38 31.084 2.061 0.677 0.535 0.946 0.649 CB 1.510 37 residues pruned to eliminate duplicates Z: 27 12.641 1.912 0.235 0.415 0.962 0.577 CB 1.193 25 residues pruned to eliminate duplicates Z: 35 12.387 1.760 0.500 0.321 0.794 0.441 CB 1.233 25 residues pruned to eliminate duplicates Z: 12 8.049 1.916 0.324 0.357 0.909 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 8 11.318 1.988 0.443 0.630 0.857 0.714 CA 1.540 8 residues pruned to eliminate duplicates Z: 17 28.319 2.268 0.642 0.847 0.812 0.562 CB 1.737 17 residues pruned to eliminate duplicates Z: 10 5.658 1.662 0.241 0.408 0.778 0.556 N 1.296 10 residues pruned to eliminate duplicates Z: 11 6.434 1.539 0.428 0.610 0.800 0.300 CB 1.042 Z: 7 10.471 1.987 0.644 0.458 1.000 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 38 20.239 1.930 0.376 0.516 0.919 0.541 CA 1.342 38 residues pruned to eliminate duplicates Z: 72 35.355 2.051 0.558 0.525 0.887 0.507 CA 1.444 72 residues pruned to eliminate duplicates Z: 13 16.852 2.046 0.734 0.533 0.917 0.750 CA 1.447 13 residues pruned to eliminate duplicates Z: 25 30.398 2.102 0.514 0.710 0.958 0.792 CB 1.681 22 residues pruned to eliminate duplicates Z: 21 39.400 2.166 0.779 0.923 1.000 1.000 CB 1.607 21 residues pruned to eliminate duplicates Z: 30 15.918 2.018 0.672 0.312 0.828 0.414 CB 1.304 30 residues pruned to eliminate duplicates Z: 18 24.704 2.058 0.606 0.798 0.941 0.647 CB 1.484 17 residues pruned to eliminate duplicates Z: 12 8.423 1.927 0.302 0.470 0.818 0.727 CB 1.275 12 residues pruned to eliminate duplicates Z: 12 17.423 2.035 0.489 0.843 1.000 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 14 16.705 2.050 0.093 0.868 1.000 1.000 CA 1.512 14 residues pruned to eliminate duplicates Z: 7 9.990 2.115 -0.002 0.868 1.000 0.667 CB 1.413 7 residues pruned to eliminate duplicates Z: 6 5.086 1.823 0.339 0.517 0.800 0.600 CA 1.145 7 residues pruned to eliminate duplicates Z: 31 14.165 1.905 0.337 0.425 0.967 0.600 CB 1.136 27 residues pruned to eliminate duplicates Z: 33 20.430 2.014 0.266 0.652 0.906 0.688 CA 1.357 33 residues pruned to eliminate duplicates Z: 27 22.655 1.993 0.815 0.517 0.885 0.500 CA 1.365 27 residues pruned to eliminate duplicates Z: 10 9.925 1.904 0.300 0.584 1.000 0.889 CB 1.234 10 residues pruned to eliminate duplicates Z: 21 13.816 2.005 0.668 0.395 0.800 0.550 CB 1.289 21 residues pruned to eliminate duplicates Z: 18 19.614 2.049 0.263 0.839 0.941 0.706 CB 1.459 18 residues pruned to eliminate duplicates Z: 15 10.340 1.923 0.196 0.463 0.857 0.714 CA 1.455 Z: 14 12.591 1.897 0.610 0.604 0.769 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 12 7.478 1.703 0.486 0.464 0.818 0.545 CA 1.129 12 residues pruned to eliminate duplicates Z: 47 27.815 2.051 0.546 0.480 0.913 0.587 CA 1.445 14 residues pruned to eliminate duplicates Z: 13 6.335 1.790 0.202 0.326 0.750 0.417 CB 1.371 13 residues pruned to eliminate duplicates Z: 11 5.330 1.627 -0.024 0.489 0.900 0.700 CB 1.193 Z: 68 44.595 2.156 0.702 0.552 0.910 0.478 CB 1.550 68 residues pruned to eliminate duplicates Z: 21 14.640 1.803 0.454 0.565 0.900 0.550 CA 1.302 21 residues pruned to eliminate duplicates Z: 25 15.161 1.942 0.301 0.497 0.917 0.667 CB 1.340 25 residues pruned to eliminate duplicates Z: 19 9.400 1.887 0.371 0.425 0.722 0.389 CB 1.282 19 residues pruned to eliminate duplicates Z: 11 6.805 1.771 0.211 0.521 0.800 0.500 CA 1.228 11 residues pruned to eliminate duplicates Z: 27 25.062 2.120 0.675 0.615 0.923 0.538 CB 1.344 27 residues pruned to eliminate duplicates Z: 15 5.118 1.697 0.344 0.336 0.643 0.429 CB 1.115 15 residues pruned to eliminate duplicates Z: 21 42.537 2.282 1.004 0.908 0.900 0.650 CB 1.642 21 residues pruned to eliminate duplicates Z: 20 14.896 1.936 0.681 0.349 0.842 0.421 CB 1.470 20 residues pruned to eliminate duplicates Z: 18 13.011 2.016 0.467 0.377 0.824 0.471 CA 1.478 18 residues pruned to eliminate duplicates Z: 12 10.081 1.764 0.598 0.443 0.909 0.636 CA 1.258 12 residues pruned to eliminate duplicates Z: 19 10.518 1.719 0.411 0.334 0.889 0.500 CB 1.379 19 residues pruned to eliminate duplicates Z: 20 31.339 2.046 0.788 0.880 1.000 0.684 CA 1.423 20 residues pruned to eliminate duplicates Z: 23 17.666 2.132 0.642 0.342 0.864 0.682 CA 1.479 23 residues pruned to eliminate duplicates Z: 21 44.622 2.279 0.883 0.924 1.000 0.700 CB 1.633 21 residues pruned to eliminate duplicates Z: 27 14.255 1.848 0.450 0.482 0.923 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 13 15.114 2.043 0.344 0.569 0.917 0.583 CB 1.621 15 residues pruned to eliminate duplicates Z: 30 14.882 1.857 0.335 0.439 0.897 0.552 CA 1.324 30 residues pruned to eliminate duplicates Z: 8 9.042 1.690 0.381 0.827 0.857 0.714 CA 1.288 8 residues pruned to eliminate duplicates Z: 20 32.191 2.321 0.400 0.900 1.000 0.895 CB 1.623 20 residues pruned to eliminate duplicates Z: 6 3.440 1.590 -0.091 0.449 0.800 0.400 O 1.401 5 residues pruned to eliminate duplicates Z: 10 8.558 1.900 0.395 0.385 0.889 0.556 CB 1.369 Z: 15 23.123 2.109 0.435 0.896 1.000 0.857 CB 1.463 16 residues pruned to eliminate duplicates Z: 28 16.763 1.970 0.580 0.321 0.778 0.333 CA 1.623 28 residues pruned to eliminate duplicates Z: 17 7.140 1.830 0.114 0.324 0.812 0.438 CB 1.309 14 residues pruned to eliminate duplicates Z: 15 9.738 1.905 0.205 0.474 0.929 0.500 CB 1.254 15 residues pruned to eliminate duplicates Z: 10 11.675 1.849 0.735 0.522 0.889 0.667 CB 1.335 10 residues pruned to eliminate duplicates Z: 17 13.558 1.828 0.531 0.478 0.938 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 21 8.083 1.890 0.516 0.280 0.700 0.550 CB 1.155 21 residues pruned to eliminate duplicates Z: 22 29.518 1.954 0.689 0.928 1.000 0.571 CB 1.367 19 residues pruned to eliminate duplicates Z: 10 13.163 1.879 0.359 0.624 1.000 0.778 CB 1.528 11 residues pruned to eliminate duplicates Z: 7 12.583 1.997 0.554 0.681 0.833 0.833 CA 1.682 7 residues pruned to eliminate duplicates Z: 10 6.076 1.762 0.444 0.550 0.889 0.444 CB 0.853 10 residues pruned to eliminate duplicates Z: 12 5.517 1.652 0.418 0.208 0.727 0.545 O 1.379 12 residues pruned to eliminate duplicates Z: 12 3.655 1.764 0.093 0.343 0.727 0.545 CB 0.932 12 residues pruned to eliminate duplicates Z: 13 16.690 2.037 0.384 0.540 1.000 0.583 CB 1.642 13 residues pruned to eliminate duplicates Z: 11 5.978 1.442 0.797 0.340 0.800 0.400 CB 1.086 Z: 22 17.426 2.110 0.642 0.435 0.762 0.571 CA 1.541 22 residues pruned to eliminate duplicates Z: 8 14.315 2.155 0.514 0.778 0.857 0.714 CB 1.513 8 residues pruned to eliminate duplicates Z: 10 7.279 1.693 0.506 0.319 0.889 0.556 CA 1.307 10 residues pruned to eliminate duplicates Z: 8 3.585 1.663 -0.053 0.503 0.714 0.571 CB 1.201 7 residues pruned to eliminate duplicates Z: 33 27.996 2.095 0.708 0.484 0.906 0.594 CB 1.551 31 residues pruned to eliminate duplicates Z: 13 12.901 2.014 0.934 0.394 0.833 0.667 CB 1.283 20 residues pruned to eliminate duplicates Z: 13 12.864 2.062 0.538 0.418 1.000 0.667 CA 1.276 14 residues pruned to eliminate duplicates Z: 8 4.646 1.675 1.126 0.347 0.714 0.714 CB 0.815 Z: 27 15.299 1.965 0.301 0.506 0.885 0.538 CB 1.319 27 residues pruned to eliminate duplicates Z: 42 19.820 1.997 0.410 0.425 0.878 0.463 CB 1.354 42 residues pruned to eliminate duplicates Z: 16 7.980 1.741 0.287 0.359 0.867 0.467 CB 1.234 16 residues pruned to eliminate duplicates Z: 25 9.463 1.922 0.270 0.338 0.667 0.375 CA 1.417 25 residues pruned to eliminate duplicates Z: 7 3.696 1.621 0.569 0.619 1.000 0.500 CB 0.530 Z: 6 4.808 1.718 0.444 0.512 0.800 0.800 CB 1.071 6 residues pruned to eliminate duplicates Z: 10 4.410 1.608 0.035 0.436 0.778 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 23 13.945 1.907 0.501 0.330 0.864 0.455 CB 1.449 23 residues pruned to eliminate duplicates Z: 24 9.767 1.753 0.368 0.371 0.783 0.478 CA 1.245 23 residues pruned to eliminate duplicates Z: 10 8.044 1.808 0.409 0.515 0.889 0.556 CB 1.167 10 residues pruned to eliminate duplicates Z: 7 9.019 2.131 0.698 0.521 1.000 0.500 CA 0.996 7 residues pruned to eliminate duplicates Z: 6 6.894 1.557 0.428 0.822 1.000 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 9 5.307 1.917 -0.073 0.515 0.875 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 12 11.604 1.894 0.322 0.451 1.000 0.455 CA 1.470 Z: 10 5.764 1.804 0.317 0.265 0.778 0.556 CA 1.360 Z: 14 15.051 1.932 0.650 0.781 0.846 0.615 CB 1.209 14 residues pruned to eliminate duplicates Z: 20 20.283 2.085 0.317 0.819 0.895 0.632 CB 1.437 20 residues pruned to eliminate duplicates Z: 28 15.287 1.945 0.304 0.448 0.889 0.630 CB 1.376 27 residues pruned to eliminate duplicates Z: 21 44.841 2.294 0.931 0.877 1.000 0.650 CB 1.644 21 residues pruned to eliminate duplicates Z: 9 3.900 1.718 0.164 0.237 0.875 0.375 CB 1.070 Z: 29 13.606 1.962 0.409 0.338 0.821 0.607 CB 1.351 25 residues pruned to eliminate duplicates Z: 9 4.091 1.547 0.439 0.447 0.875 0.500 CB 0.784 Z: 14 26.563 2.137 0.756 0.928 0.923 0.769 CA 1.489 14 residues pruned to eliminate duplicates Z: 20 13.183 1.943 0.340 0.571 0.947 0.632 CB 1.145 20 residues pruned to eliminate duplicates Z: 13 4.101 1.829 0.114 0.413 0.583 0.417 CB 1.092 13 residues pruned to eliminate duplicates Z: 28 21.813 2.138 0.579 0.401 0.889 0.704 CA 1.553 28 residues pruned to eliminate duplicates Z: 15 4.768 1.596 0.163 0.416 0.714 0.500 CB 1.049 13 residues pruned to eliminate duplicates Z: 24 14.155 1.895 0.517 0.423 0.870 0.522 CB 1.280 26 residues pruned to eliminate duplicates Z: 7 8.212 1.650 0.241 0.712 1.000 0.500 O 1.352 Z: 19 15.231 2.014 0.840 0.263 0.889 0.389 CB 1.429 19 residues pruned to eliminate duplicates Z: 22 40.052 2.225 0.853 0.882 0.952 0.571 CB 1.611 22 residues pruned to eliminate duplicates Z: 13 12.376 2.039 0.593 0.535 0.833 0.667 CA 1.275 13 residues pruned to eliminate duplicates Z: 16 17.094 2.125 0.350 0.881 0.867 0.533 CB 1.286 16 residues pruned to eliminate duplicates Z: 11 16.199 2.142 0.774 0.834 1.000 0.700 CB 1.010 11 residues pruned to eliminate duplicates Z: 16 11.774 1.983 0.396 0.486 0.867 0.600 CB 1.285 17 residues pruned to eliminate duplicates Z: 7 7.441 1.995 0.619 0.625 0.833 0.500 CB 1.003 6 residues pruned to eliminate duplicates Z: 10 8.683 1.751 0.394 0.368 0.889 0.556 CA 1.536 10 residues pruned to eliminate duplicates Z: 7 2.543 1.555 0.684 0.380 0.500 0.500 N 0.900 7 residues pruned to eliminate duplicates Z: 10 7.274 1.870 0.488 0.381 0.889 0.556 CA 1.112 10 residues pruned to eliminate duplicates Z: 20 14.560 1.937 0.487 0.409 0.895 0.579 CB 1.426 20 residues pruned to eliminate duplicates Z: 56 33.301 2.068 0.594 0.508 0.855 0.600 CB 1.581 114 residues pruned to eliminate duplicates Z: 18 10.619 1.857 0.479 0.434 0.824 0.588 CA 1.219 12 residues pruned to eliminate duplicates Z: 26 13.372 1.770 0.482 0.441 0.880 0.400 CB 1.232 22 residues pruned to eliminate duplicates Z: 9 3.591 1.590 0.002 0.464 0.875 0.500 CB 0.945 7 residues pruned to eliminate duplicates Z: 20 15.497 1.895 0.627 0.439 0.947 0.632 CB 1.297 20 residues pruned to eliminate duplicates Z: 12 11.566 2.053 0.470 0.430 0.909 0.455 CB 1.366 Z: 46 21.087 2.055 0.489 0.393 0.911 0.400 CB 1.262 46 residues pruned to eliminate duplicates Z: 14 15.998 1.755 0.618 0.884 0.923 0.615 CB 1.223 14 residues pruned to eliminate duplicates Z: 31 15.855 1.842 0.392 0.478 0.833 0.467 CA 1.385 32 residues pruned to eliminate duplicates Z: 28 9.370 1.814 0.340 0.315 0.815 0.630 CB 1.117 28 residues pruned to eliminate duplicates Z: 6 2.263 1.669 0.139 0.475 0.600 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 13 7.462 1.553 0.707 0.456 0.917 0.500 CB 0.927 Z: 11 3.516 1.689 -0.166 0.462 0.700 0.500 CB 1.172 11 residues pruned to eliminate duplicates Z: 14 22.025 2.128 0.778 0.882 0.846 0.769 CB 1.380 14 residues pruned to eliminate duplicates Z: 6 5.335 1.519 0.247 0.838 1.000 0.600 CA 0.942 6 residues pruned to eliminate duplicates Z: 13 18.874 1.899 0.838 0.895 1.000 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 8 11.603 1.961 0.508 0.789 1.000 1.000 CA 1.151 8 residues pruned to eliminate duplicates Z: 29 11.080 1.783 0.312 0.404 0.857 0.464 CB 1.156 14 residues pruned to eliminate duplicates Z: 17 23.727 2.025 0.493 0.892 1.000 0.688 CA 1.410 17 residues pruned to eliminate duplicates Z: 8 4.268 1.615 0.233 0.565 0.857 0.571 CB 0.888 6 residues pruned to eliminate duplicates Z: 9 8.268 1.912 0.255 0.443 0.875 0.375 CB 1.476 10 residues pruned to eliminate duplicates Z: 47 33.381 2.064 0.527 0.575 0.978 0.543 CA 1.485 47 residues pruned to eliminate duplicates Z: 24 10.612 1.796 0.408 0.377 0.826 0.522 CB 1.208 24 residues pruned to eliminate duplicates Z: 15 10.121 1.661 0.544 0.460 1.000 0.643 CA 1.099 15 residues pruned to eliminate duplicates Z: 16 21.262 2.022 0.565 0.905 0.933 0.533 CB 1.322 16 residues pruned to eliminate duplicates Z: 19 12.930 1.913 0.350 0.549 1.000 0.667 CB 1.125 19 residues pruned to eliminate duplicates Z: 21 13.034 1.899 0.407 0.419 0.900 0.600 CB 1.318 21 residues pruned to eliminate duplicates Z: 16 12.811 1.820 0.519 0.433 0.867 0.533 CA 1.479 15 residues pruned to eliminate duplicates Z: 9 14.203 1.879 0.329 0.892 1.000 0.875 CA 1.444 9 residues pruned to eliminate duplicates Z: 9 5.193 1.707 0.037 0.382 0.875 0.375 CB 1.344 9 residues pruned to eliminate duplicates Z: 6 2.741 1.511 0.087 0.443 0.800 0.600 CA 0.989 Z: 16 7.502 1.689 0.470 0.424 0.800 0.467 CB 1.055 16 residues pruned to eliminate duplicates Z: 14 7.055 1.761 0.386 0.328 0.769 0.385 CA 1.258 Z: 14 7.764 1.725 0.453 0.450 0.769 0.692 CA 1.176 14 residues pruned to eliminate duplicates Z: 9 3.943 1.475 0.426 0.346 0.750 0.375 CA 1.045 Z: 20 8.955 1.893 0.462 0.293 0.842 0.474 CB 1.112 20 residues pruned to eliminate duplicates Z: 18 25.284 1.997 0.625 0.859 1.000 0.529 CB 1.390 18 residues pruned to eliminate duplicates Z: 33 19.962 2.032 0.358 0.465 0.938 0.594 CA 1.415 33 residues pruned to eliminate duplicates Z: 7 9.588 1.656 0.482 0.890 1.000 0.833 CA 1.147 7 residues pruned to eliminate duplicates Z: 7 6.545 1.763 0.197 0.600 0.833 0.667 CB 1.381 Z: 20 10.742 1.791 0.620 0.254 0.789 0.474 N 1.426 20 residues pruned to eliminate duplicates Z: 8 8.679 1.660 0.492 0.866 0.857 0.714 CA 1.132 Z: 21 9.256 1.679 0.323 0.412 0.800 0.500 CA 1.276 19 residues pruned to eliminate duplicates Z: 10 11.334 1.859 0.193 0.652 1.000 0.778 CA 1.479 10 residues pruned to eliminate duplicates Z: 29 24.098 2.202 0.680 0.501 0.893 0.429 CB 1.379 29 residues pruned to eliminate duplicates Z: 12 4.102 1.746 0.112 0.495 0.636 0.364 CB 1.007 12 residues pruned to eliminate duplicates Z: 21 26.548 1.927 0.784 0.924 0.900 0.400 CB 1.347 21 residues pruned to eliminate duplicates Z: 6 5.481 1.284 0.733 0.823 1.000 1.000 CB 0.832 Z: 14 6.512 1.786 0.178 0.429 0.769 0.615 CB 1.201 14 residues pruned to eliminate duplicates Z: 29 16.902 1.976 0.639 0.296 0.893 0.429 CB 1.387 29 residues pruned to eliminate duplicates Z: 20 32.921 2.065 0.741 0.893 0.947 0.632 CB 1.592 20 residues pruned to eliminate duplicates Z: 54 40.854 2.184 0.678 0.638 0.887 0.415 CB 1.518 54 residues pruned to eliminate duplicates Z: 9 9.266 1.931 0.848 0.400 0.750 0.625 CA 1.360 9 residues pruned to eliminate duplicates Z: 9 8.680 1.824 0.117 0.840 0.875 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 8 7.694 1.941 0.246 0.566 0.857 0.571 CA 1.317 8 residues pruned to eliminate duplicates Z: 26 17.144 1.919 0.569 0.439 0.960 0.640 CB 1.264 26 residues pruned to eliminate duplicates Z: 12 14.538 1.931 0.657 0.605 0.909 0.636 CA 1.363 12 residues pruned to eliminate duplicates Z: 12 11.988 2.000 0.190 0.568 1.000 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 7 2.742 1.478 0.117 0.432 0.833 0.333 N 0.873 Z: 25 16.913 1.991 0.507 0.485 0.917 0.583 CB 1.274 28 residues pruned to eliminate duplicates Z: 11 11.353 1.601 0.802 0.855 0.900 0.700 CA 1.021 11 residues pruned to eliminate duplicates Z: 10 3.656 1.399 0.070 0.377 0.889 0.667 N 1.045 Z: 18 11.573 1.915 0.278 0.355 1.000 0.529 CB 1.341 14 residues pruned to eliminate duplicates Z: 60 34.678 2.037 0.475 0.625 0.932 0.627 CA 1.433 60 residues pruned to eliminate duplicates Z: 8 8.869 2.096 0.550 0.288 0.857 0.429 CA 1.527 8 residues pruned to eliminate duplicates Z: 6 7.459 1.836 0.258 0.468 1.000 0.600 CA 1.493 Z: 26 8.859 1.788 0.156 0.358 0.840 0.560 CB 1.189 26 residues pruned to eliminate duplicates Z: 6 7.118 1.920 0.466 0.756 1.000 0.800 CB 0.900 4 residues pruned to eliminate duplicates 7 1.820 1.593 0.222 0.383 1.000 0.500 CB 0.432 ? Z: 49 28.239 2.023 0.636 0.419 0.854 0.458 CA 1.569 34 residues pruned to eliminate duplicates Z: 13 4.285 1.550 0.286 0.349 0.583 0.417 CB 1.253 Z: 27 17.465 1.871 0.374 0.445 0.962 0.500 CA 1.467 27 residues pruned to eliminate duplicates Z: 18 32.679 2.258 0.706 0.855 0.941 0.588 CB 1.613 18 residues pruned to eliminate duplicates Z: 20 10.280 1.735 0.227 0.390 0.947 0.579 CB 1.315 20 residues pruned to eliminate duplicates Z: 10 5.834 1.942 -0.186 0.564 1.000 0.778 CA 1.157 10 residues pruned to eliminate duplicates Z: 12 4.608 1.697 0.133 0.383 0.727 0.455 CB 1.125 13 residues pruned to eliminate duplicates Z: 11 10.456 1.800 0.427 0.618 0.900 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 7 5.044 1.272 0.574 0.708 0.833 0.500 C 1.022 7 residues pruned to eliminate duplicates Z: 49 25.574 1.869 0.501 0.649 0.896 0.646 CB 1.278 50 residues pruned to eliminate duplicates Z: 27 20.936 2.097 0.526 0.520 0.923 0.731 CB 1.363 27 residues pruned to eliminate duplicates Z: 22 29.007 1.929 0.671 0.913 0.952 0.524 CA 1.459 22 residues pruned to eliminate duplicates Z: 7 2.297 1.564 -0.502 0.724 0.833 0.667 C 1.179 Z: 29 11.331 1.852 0.397 0.434 0.857 0.607 CB 1.034 29 residues pruned to eliminate duplicates Z: 11 11.086 1.711 0.620 0.878 0.900 0.600 CA 1.019 11 residues pruned to eliminate duplicates Z: 14 14.143 2.060 0.241 0.796 0.769 0.538 CB 1.538 14 residues pruned to eliminate duplicates Z: 9 10.122 1.636 0.496 0.841 0.875 0.625 CA 1.246 Z: 8 8.245 1.818 0.594 0.617 0.714 0.571 CA 1.348 8 residues pruned to eliminate duplicates Z: 21 30.976 2.060 0.669 0.855 0.950 0.650 CB 1.565 21 residues pruned to eliminate duplicates Z: 20 12.330 1.885 0.475 0.427 0.842 0.421 CA 1.303 20 residues pruned to eliminate duplicates Z: 30 15.962 1.849 0.487 0.455 0.828 0.552 CA 1.363 29 residues pruned to eliminate duplicates Z: 18 12.235 2.045 0.272 0.411 0.882 0.706 CB 1.420 18 residues pruned to eliminate duplicates Z: 10 7.148 1.851 0.508 0.343 0.889 0.444 CB 1.139 13 residues pruned to eliminate duplicates Z: 11 10.065 1.746 0.462 0.539 0.900 0.500 C 1.333 11 residues pruned to eliminate duplicates Z: 17 28.063 2.177 0.762 0.828 0.938 0.562 CB 1.469 17 residues pruned to eliminate duplicates Z: 10 10.986 1.875 0.463 0.532 0.889 0.667 CB 1.455 10 residues pruned to eliminate duplicates Z: 71 38.297 2.111 0.460 0.568 0.914 0.543 CA 1.521 71 residues pruned to eliminate duplicates Z: 6 3.719 1.499 0.367 0.493 0.800 0.400 CA 1.021 6 residues pruned to eliminate duplicates Z: 13 12.526 1.976 0.216 0.551 0.917 0.667 CB 1.563 13 residues pruned to eliminate duplicates Z: 11 9.677 1.799 0.659 0.509 0.800 0.600 CB 1.269 Z: 14 10.533 1.779 0.537 0.598 0.846 0.538 CA 1.150 14 residues pruned to eliminate duplicates Z: 7 6.079 1.856 0.397 0.189 1.000 0.000 CB 1.389 7 residues pruned to eliminate duplicates Z: 7 6.078 1.799 0.107 0.597 0.833 0.833 CA 1.364 7 residues pruned to eliminate duplicates Z: 20 11.847 1.927 0.317 0.414 0.895 0.684 CB 1.310 20 residues pruned to eliminate duplicates Z: 15 27.383 2.225 0.389 0.908 1.000 0.786 CA 1.682 15 residues pruned to eliminate duplicates Z: 12 7.698 1.904 0.448 0.394 0.818 0.636 CB 1.152 12 residues pruned to eliminate duplicates Z: 14 13.587 1.972 0.390 0.511 0.923 0.615 CA 1.472 14 residues pruned to eliminate duplicates Z: 20 10.035 1.823 0.261 0.425 0.842 0.632 CB 1.285 19 residues pruned to eliminate duplicates Z: 12 6.019 1.636 0.329 0.325 0.909 0.455 CA 1.112 12 residues pruned to eliminate duplicates Z: 65 39.077 2.071 0.610 0.574 0.922 0.562 CA 1.479 65 residues pruned to eliminate duplicates Z: 9 6.456 1.624 0.556 0.433 0.875 0.500 C 1.106 9 residues pruned to eliminate duplicates Z: 32 24.737 1.879 0.604 0.620 0.935 0.677 CA 1.406 32 residues pruned to eliminate duplicates 6 1.729 1.678 0.185 0.368 0.800 0.600 CB 0.560 ? Z: 51 25.455 1.877 0.561 0.528 0.860 0.620 CA 1.388 51 residues pruned to eliminate duplicates Z: 9 12.654 1.786 0.421 0.888 1.000 0.875 CA 1.270 9 residues pruned to eliminate duplicates Z: 18 24.644 2.130 0.489 0.883 1.000 0.765 CB 1.362 18 residues pruned to eliminate duplicates Z: 8 9.203 1.803 0.744 0.843 1.000 1.000 CB 0.824 Z: 13 10.958 1.815 0.376 0.567 0.833 0.500 CA 1.424 13 residues pruned to eliminate duplicates Z: 16 11.132 1.752 0.474 0.529 0.933 0.600 CB 1.159 17 residues pruned to eliminate duplicates Z: 6 4.645 1.555 0.466 0.746 0.800 0.200 CA 0.914 6 residues pruned to eliminate duplicates Z: 19 10.039 1.967 0.151 0.397 1.000 0.611 CB 1.165 8 residues pruned to eliminate duplicates Z: 8 8.312 1.831 0.583 0.523 1.000 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 16 5.868 1.704 0.338 0.359 0.733 0.533 CA 1.055 16 residues pruned to eliminate duplicates Z: 26 13.493 1.857 0.586 0.421 0.840 0.600 CB 1.185 26 residues pruned to eliminate duplicates Z: 39 28.324 2.035 0.423 0.636 0.947 0.658 CA 1.474 39 residues pruned to eliminate duplicates Z: 6 4.312 1.732 -0.038 0.478 0.800 0.400 C 1.479 Z: 6 2.698 1.457 0.576 0.443 0.800 0.600 CB 0.697 Z: 9 9.534 1.838 0.479 0.532 0.875 0.375 CA 1.373 9 residues pruned to eliminate duplicates Z: 6 3.473 1.536 0.548 0.412 0.600 0.400 CB 1.194 Z: 6 4.361 1.775 0.158 0.463 1.000 0.800 CB 0.985 6 residues pruned to eliminate duplicates Z: 51 38.035 2.158 0.696 0.650 0.860 0.560 CB 1.487 51 residues pruned to eliminate duplicates Z: 32 19.828 2.054 0.489 0.449 0.871 0.581 CB 1.409 32 residues pruned to eliminate duplicates Z: 6 5.445 1.949 0.239 0.769 0.800 0.800 CA 0.993 6 residues pruned to eliminate duplicates Z: 7 5.641 1.766 0.371 0.588 0.833 0.667 CA 1.049 7 residues pruned to eliminate duplicates Z: 22 45.832 2.207 1.132 0.918 1.000 0.571 CB 1.499 22 residues pruned to eliminate duplicates Z: 8 11.628 1.997 0.421 0.682 1.000 0.857 CB 1.310 Z: 16 10.224 1.850 0.590 0.464 0.867 0.600 CB 1.074 16 residues pruned to eliminate duplicates Z: 8 2.903 1.382 0.469 0.282 0.857 0.571 N 0.807 8 residues pruned to eliminate duplicates Z: 14 11.997 1.958 0.409 0.401 1.000 0.538 CA 1.338 14 residues pruned to eliminate duplicates Z: 21 13.817 1.867 0.578 0.401 0.950 0.600 CB 1.224 22 residues pruned to eliminate duplicates Z: 19 18.321 2.048 0.378 0.571 0.944 0.611 CA 1.513 19 residues pruned to eliminate duplicates Z: 38 19.114 1.895 0.685 0.342 0.865 0.432 CB 1.351 38 residues pruned to eliminate duplicates Z: 13 17.524 1.986 0.558 0.864 1.000 0.583 CB 1.198 13 residues pruned to eliminate duplicates Z: 7 4.330 1.800 -0.140 0.439 0.833 0.667 N 1.460 Z: 16 10.874 1.904 0.425 0.475 0.800 0.600 CA 1.328 16 residues pruned to eliminate duplicates Z: 9 10.268 1.775 0.422 0.856 1.000 0.375 CB 1.060 9 residues pruned to eliminate duplicates Z: 7 2.703 1.417 -0.029 0.449 1.000 0.333 CB 0.846 6 residues pruned to eliminate duplicates Z: 6 3.432 1.679 -0.083 0.610 0.800 0.600 C 1.123 Z: 8 17.576 2.098 0.686 0.784 1.000 0.714 CB 1.463 8 residues pruned to eliminate duplicates Z: 9 14.121 1.967 0.808 0.752 0.875 0.875 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 11.869 2.020 0.453 0.375 1.000 0.636 CA 1.394 9 residues pruned to eliminate duplicates Z: 9 8.041 1.701 0.421 0.798 1.000 1.000 CB 0.906 9 residues pruned to eliminate duplicates Z: 10 16.987 1.711 0.926 0.901 1.000 0.556 CB 1.227 10 residues pruned to eliminate duplicates Z: 6 5.982 1.816 0.400 0.559 0.800 0.600 CB 1.243 7 residues pruned to eliminate duplicates Z: 49 18.762 1.865 0.332 0.420 0.917 0.583 CB 1.293 67 residues pruned to eliminate duplicates Z: 10 9.661 1.755 0.688 0.669 0.778 0.778 CB 1.196 10 residues pruned to eliminate duplicates Z: 15 19.719 1.952 0.810 0.531 0.929 0.786 CA 1.558 15 residues pruned to eliminate duplicates Z: 7 6.143 1.884 0.520 0.389 0.667 0.667 CA 1.477 7 residues pruned to eliminate duplicates Z: 7 2.446 1.640 -0.117 0.354 0.667 0.333 CB 1.211 Z: 20 8.684 1.726 0.352 0.376 0.842 0.368 CB 1.157 9 residues pruned to eliminate duplicates Z: 12 7.016 1.959 0.241 0.323 0.818 0.545 CA 1.292 12 residues pruned to eliminate duplicates Z: 8 5.562 1.789 0.740 0.340 0.714 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 19 11.759 1.797 0.457 0.440 0.889 0.556 CA 1.268 19 residues pruned to eliminate duplicates Z: 18 29.549 2.119 0.746 0.884 1.000 0.529 CB 1.399 18 residues pruned to eliminate duplicates Z: 21 20.808 1.897 0.331 0.901 0.950 0.500 CA 1.385 21 residues pruned to eliminate duplicates Z: 9 3.858 1.522 0.155 0.454 0.875 0.500 N 0.929 Z: 36 19.790 1.974 0.165 0.585 0.914 0.714 CB 1.467 36 residues pruned to eliminate duplicates Z: 12 10.605 2.015 0.666 0.427 0.727 0.545 CB 1.413 12 residues pruned to eliminate duplicates Z: 22 11.727 1.842 0.364 0.508 0.905 0.762 CB 1.117 22 residues pruned to eliminate duplicates Z: 6 5.308 1.858 0.378 0.446 1.000 0.800 CB 0.980 Z: 16 10.726 1.894 0.427 0.336 0.933 0.533 CA 1.312 16 residues pruned to eliminate duplicates Z: 9 5.106 1.490 0.264 0.520 1.000 0.625 CB 0.940 10 residues pruned to eliminate duplicates Z: 21 14.200 1.920 0.273 0.593 0.950 0.650 CB 1.251 20 residues pruned to eliminate duplicates Z: 35 48.245 2.216 0.796 0.798 1.000 0.824 CA 1.602 35 residues pruned to eliminate duplicates Z: 6 3.732 1.499 0.192 0.504 1.000 0.400 CB 0.930 Z: 13 4.328 1.629 0.350 0.425 0.833 0.583 CB 0.737 Z: 11 6.526 1.646 0.713 0.443 0.800 0.400 CB 0.970 6 residues pruned to eliminate duplicates Z: 20 16.228 1.974 0.754 0.363 0.895 0.526 CA 1.393 20 residues pruned to eliminate duplicates Z: 8 5.032 1.814 0.048 0.394 0.714 0.714 N 1.566 8 residues pruned to eliminate duplicates Z: 24 14.758 1.897 0.507 0.428 0.870 0.478 CB 1.335 24 residues pruned to eliminate duplicates Z: 8 12.725 2.052 0.614 0.478 1.000 0.857 CA 1.485 8 residues pruned to eliminate duplicates Z: 9 4.467 2.014 0.158 0.182 0.625 0.375 CB 1.590 9 residues pruned to eliminate duplicates Z: 17 12.423 1.822 0.321 0.466 0.938 0.625 CA 1.424 Z: 16 7.497 1.738 0.183 0.435 0.867 0.333 CB 1.163 16 residues pruned to eliminate duplicates Z: 10 9.029 1.641 0.715 0.451 0.889 0.667 CA 1.265 10 residues pruned to eliminate duplicates Z: 11 7.929 1.904 0.243 0.389 0.900 0.600 CB 1.325 5 residues pruned to eliminate duplicates Z: 15 11.155 1.665 0.582 0.398 0.857 0.357 CA 1.470 15 residues pruned to eliminate duplicates Z: 11 15.771 2.135 0.395 0.848 1.000 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 14 9.929 1.761 0.407 0.468 0.923 0.692 CB 1.244 12 residues pruned to eliminate duplicates Z: 9 8.220 1.728 0.671 0.365 1.000 1.000 CB 1.164 9 residues pruned to eliminate duplicates Z: 14 6.779 1.694 0.245 0.415 0.923 0.692 CB 1.056 14 residues pruned to eliminate duplicates 6 1.652 1.398 0.036 0.299 0.600 0.400 CB 1.064 ? Z: 12 6.734 1.672 0.488 0.409 0.727 0.727 CA 1.235 12 residues pruned to eliminate duplicates Z: 17 5.679 1.686 0.254 0.304 0.750 0.375 CB 1.113 17 residues pruned to eliminate duplicates Z: 9 6.966 1.605 0.217 0.871 1.000 0.750 CA 0.920 9 residues pruned to eliminate duplicates Z: 25 23.778 2.178 0.532 0.551 0.958 0.708 CA 1.444 25 residues pruned to eliminate duplicates 6 1.938 1.490 0.027 0.679 0.800 0.600 CB 0.600 ? Z: 21 42.111 2.218 0.792 0.919 1.000 0.600 CA 1.670 21 residues pruned to eliminate duplicates Z: 6 2.268 1.641 0.173 0.288 0.600 0.200 CA 1.113 Z: 8 3.824 1.418 0.518 0.239 0.714 0.429 N 1.272 Z: 12 6.158 1.676 0.520 0.463 0.818 0.545 CB 0.925 Z: 7 5.287 1.725 0.334 0.592 0.833 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 10 14.000 2.114 0.229 0.800 1.000 0.778 CB 1.382 10 residues pruned to eliminate duplicates Z: 6 7.992 1.608 0.592 0.775 1.000 0.800 CA 1.095 6 residues pruned to eliminate duplicates Z: 17 12.251 1.890 0.555 0.432 0.875 0.688 CB 1.278 17 residues pruned to eliminate duplicates Z: 24 9.753 1.727 0.382 0.332 0.826 0.565 CB 1.239 24 residues pruned to eliminate duplicates Z: 8 2.739 1.681 0.457 0.344 0.429 0.429 CB 1.168 Z: 12 7.467 1.996 0.207 0.326 0.909 0.455 N 1.244 12 residues pruned to eliminate duplicates Z: 20 7.554 1.746 0.365 0.310 0.684 0.421 CB 1.312 20 residues pruned to eliminate duplicates Z: 8 5.754 1.717 0.124 0.634 1.000 0.571 CB 0.994 Z: 8 3.382 1.660 -0.045 0.464 0.857 0.429 CB 0.976 Z: 26 15.476 1.967 0.521 0.382 0.880 0.520 CA 1.332 22 residues pruned to eliminate duplicates Z: 46 18.204 1.818 0.409 0.400 0.933 0.511 CB 1.261 46 residues pruned to eliminate duplicates Z: 6 3.411 1.396 0.743 0.493 0.800 0.600 CB 0.789 Z: 8 11.357 2.069 0.352 0.798 1.000 0.857 CA 1.182 8 residues pruned to eliminate duplicates Z: 6 10.670 1.943 0.462 0.733 1.000 1.000 CA 1.362 6 residues pruned to eliminate duplicates Z: 47 28.564 2.037 0.362 0.571 0.957 0.500 CB 1.482 47 residues pruned to eliminate duplicates Z: 68 37.831 2.112 0.452 0.543 0.940 0.582 CA 1.537 68 residues pruned to eliminate duplicates Z: 7 3.861 1.652 0.197 0.587 1.000 0.667 CB 0.734 Z: 22 10.254 1.737 0.319 0.358 0.810 0.476 CB 1.406 22 residues pruned to eliminate duplicates Z: 15 10.738 2.013 0.241 0.450 0.857 0.571 CB 1.411 15 residues pruned to eliminate duplicates Z: 19 26.674 2.058 0.560 0.833 1.000 0.833 CB 1.469 19 residues pruned to eliminate duplicates Z: 26 16.694 1.914 0.409 0.468 0.960 0.560 CA 1.332 26 residues pruned to eliminate duplicates Z: 6 2.678 1.348 0.314 0.487 0.800 0.600 C 0.857 6 1.373 1.187 0.059 0.475 0.800 0.600 C 0.626 ? Z: 8 5.260 1.876 0.388 0.140 0.857 0.286 CB 1.392 8 residues pruned to eliminate duplicates Z: 7 2.682 1.357 0.155 0.249 1.000 0.667 CB 0.933 Z: 9 6.546 1.998 -0.170 0.695 1.000 0.875 CA 1.167 9 residues pruned to eliminate duplicates Z: 25 15.435 1.885 0.536 0.413 0.875 0.625 CA 1.362 26 residues pruned to eliminate duplicates Z: 9 6.023 1.811 0.264 0.344 0.875 0.375 CB 1.259 6 residues pruned to eliminate duplicates Z: 7 4.665 1.652 0.209 0.641 1.000 0.667 CB 0.836 7 residues pruned to eliminate duplicates Z: 17 8.904 1.832 0.473 0.365 0.812 0.562 CA 1.174 17 residues pruned to eliminate duplicates Z: 31 28.140 2.046 0.564 0.567 0.933 0.667 CB 1.612 31 residues pruned to eliminate duplicates Z: 33 16.545 1.797 0.394 0.484 0.875 0.562 CA 1.356 30 residues pruned to eliminate duplicates Z: 10 5.939 1.594 0.295 0.480 0.889 0.667 CA 1.101 10 residues pruned to eliminate duplicates Z: 16 20.888 2.067 0.431 0.752 0.933 0.800 CB 1.560 16 residues pruned to eliminate duplicates Z: 32 33.659 2.168 0.659 0.614 0.968 0.677 CA 1.559 32 residues pruned to eliminate duplicates Z: 28 12.999 1.868 0.413 0.421 0.889 0.630 CB 1.157 20 residues pruned to eliminate duplicates Z: 9 4.351 1.619 0.393 0.406 0.875 0.625 CB 0.861 Z: 28 15.410 1.933 0.526 0.369 0.852 0.741 CB 1.359 30 residues pruned to eliminate duplicates Z: 10 9.997 1.893 0.391 0.561 0.778 0.778 CA 1.533 8 residues pruned to eliminate duplicates Z: 7 4.616 1.475 0.609 0.340 1.000 0.500 CB 0.945 Z: 6 3.262 1.629 -0.086 0.428 1.000 1.000 CB 1.055 Z: 14 13.527 1.808 0.801 0.506 0.769 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 11 13.164 1.669 0.383 0.920 1.000 1.000 CB 1.270 11 residues pruned to eliminate duplicates Z: 13 8.115 1.750 0.416 0.440 0.833 0.500 N 1.207 13 residues pruned to eliminate duplicates Z: 6 3.915 1.581 0.264 0.476 1.000 0.400 CB 0.898 Z: 17 14.055 1.818 0.634 0.498 1.000 0.562 CB 1.185 17 residues pruned to eliminate duplicates Z: 21 45.392 2.258 1.035 0.934 0.950 0.500 CB 1.621 21 residues pruned to eliminate duplicates Z: 9 6.499 2.002 0.208 0.471 0.750 0.500 CB 1.306 9 residues pruned to eliminate duplicates Z: 21 20.995 1.986 0.773 0.674 0.850 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 37 17.011 1.870 0.387 0.519 0.861 0.389 CB 1.245 37 residues pruned to eliminate duplicates Z: 12 9.129 1.842 0.441 0.487 0.909 0.545 CA 1.155 12 residues pruned to eliminate duplicates Z: 8 9.700 1.614 0.642 0.794 0.857 0.429 CB 1.248 9 residues pruned to eliminate duplicates 8 1.693 1.387 0.036 0.341 0.714 0.286 CB 0.741 ? Z: 6 4.101 1.472 -0.056 0.681 1.000 0.600 N 1.118 Z: 18 9.863 1.802 0.405 0.475 0.824 0.471 CA 1.177 18 residues pruned to eliminate duplicates Z: 36 16.485 1.927 0.360 0.402 0.857 0.543 CA 1.375 36 residues pruned to eliminate duplicates Z: 11 8.026 1.673 0.752 0.325 0.800 0.400 CA 1.312 6 residues pruned to eliminate duplicates Z: 12 13.549 2.069 0.574 0.548 1.000 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 15 13.571 1.814 0.705 0.572 0.929 0.643 CA 1.178 15 residues pruned to eliminate duplicates 6 1.724 1.239 0.392 0.420 0.800 0.600 CA 0.607 ? Z: 20 28.870 2.187 0.655 0.658 0.947 0.632 CA 1.669 20 residues pruned to eliminate duplicates Z: 18 17.863 2.084 0.395 0.554 0.882 0.588 CA 1.602 18 residues pruned to eliminate duplicates 7 1.679 1.260 0.026 0.508 0.833 0.667 CB 0.631 ? Z: 18 12.680 1.847 0.518 0.395 0.882 0.471 CA 1.389 18 residues pruned to eliminate duplicates 7 1.513 1.456 0.036 0.396 0.833 0.500 N 0.549 ? Z: 10 4.396 1.402 0.638 0.374 0.889 0.778 CB 0.822 10 residues pruned to eliminate duplicates Z: 60 28.629 2.000 0.423 0.515 0.881 0.627 CA 1.464 60 residues pruned to eliminate duplicates Z: 8 14.054 1.912 0.609 0.718 1.000 0.857 CA 1.417 10 residues pruned to eliminate duplicates Z: 7 2.202 1.343 0.326 0.407 1.000 0.500 CB 0.556 Z: 13 7.902 1.756 0.461 0.463 0.833 0.583 CA 1.107 13 residues pruned to eliminate duplicates Z: 17 11.808 1.860 0.558 0.463 0.938 0.500 CB 1.129 17 residues pruned to eliminate duplicates Z: 6 4.469 1.824 0.521 0.243 0.800 0.600 CA 1.213 6 residues pruned to eliminate duplicates Z: 8 9.837 1.579 0.476 0.888 1.000 1.000 CA 1.150 8 residues pruned to eliminate duplicates Z: 13 15.717 2.008 0.461 0.514 1.000 0.667 CB 1.526 14 residues pruned to eliminate duplicates Z: 12 7.700 1.762 0.635 0.326 0.818 0.545 CA 1.192 12 residues pruned to eliminate duplicates Z: 6 3.074 1.749 0.409 0.299 0.800 0.400 CB 0.873 6 residues pruned to eliminate duplicates Z: 25 8.923 1.803 0.308 0.307 0.833 0.375 CB 1.149 25 residues pruned to eliminate duplicates Z: 13 7.137 1.854 0.368 0.370 0.917 0.667 CB 1.018 13 residues pruned to eliminate duplicates Z: 27 23.206 2.085 0.242 0.702 0.962 0.731 CA 1.520 27 residues pruned to eliminate duplicates Z: 7 2.263 1.147 0.967 0.250 0.833 0.500 CB 0.655 Z: 11 2.878 1.402 0.831 0.278 0.800 0.400 CB 0.570 Z: 41 17.608 1.962 0.508 0.290 0.800 0.325 CA 1.489 35 residues pruned to eliminate duplicates Z: 28 16.078 1.831 0.355 0.497 0.889 0.704 CA 1.408 28 residues pruned to eliminate duplicates Z: 16 6.650 1.601 0.373 0.301 1.000 0.667 CB 0.976 16 residues pruned to eliminate duplicates Z: 6 6.818 1.785 0.123 0.584 1.000 0.600 CB 1.404 6 residues pruned to eliminate duplicates Z: 14 15.386 2.003 0.575 0.893 0.769 0.308 CB 1.262 14 residues pruned to eliminate duplicates Z: 6 2.736 1.353 0.593 0.449 0.800 0.600 N 0.747 6 1.125 1.469 -0.144 0.292 0.800 0.600 N 0.631 ? Z: 7 2.495 1.307 0.175 0.320 0.833 0.333 CB 0.971 Z: 7 5.853 1.750 0.566 0.401 0.833 0.833 CA 1.162 7 residues pruned to eliminate duplicates Z: 15 11.467 1.861 0.479 0.416 0.929 0.571 CA 1.309 15 residues pruned to eliminate duplicates Z: 8 3.112 1.128 0.571 0.350 0.857 0.429 CA 0.911 Z: 8 4.027 1.618 0.201 0.570 0.857 0.857 CB 0.854 Z: 15 9.843 1.738 0.169 0.507 0.929 0.500 CA 1.385 15 residues pruned to eliminate duplicates Z: 10 9.494 1.995 0.494 0.343 1.000 0.667 CA 1.259 10 residues pruned to eliminate duplicates 6 0.833 1.249 0.268 0.309 0.400 0.400 O 0.727 ? Z: 6 3.460 1.284 0.845 0.490 1.000 0.400 CA 0.660 Z: 10 3.561 1.553 0.439 0.303 0.667 0.444 CA 0.993 Z: 23 10.357 1.797 0.635 0.278 0.818 0.409 CB 1.181 23 residues pruned to eliminate duplicates Z: 8 3.302 1.621 -0.005 0.544 0.714 0.429 N 1.038 Z: 15 12.956 2.038 0.295 0.451 0.929 0.643 CA 1.486 15 residues pruned to eliminate duplicates Z: 16 25.976 2.085 1.032 0.839 0.800 0.600 CB 1.477 16 residues pruned to eliminate duplicates Z: 39 23.831 1.987 0.439 0.586 0.921 0.579 CA 1.352 39 residues pruned to eliminate duplicates Z: 33 19.714 2.041 0.444 0.450 0.875 0.562 CB 1.421 33 residues pruned to eliminate duplicates Z: 9 7.433 1.648 0.652 0.480 0.875 0.250 CB 1.126 9 residues pruned to eliminate duplicates Z: 6 3.167 1.574 -0.121 0.293 1.000 0.400 CB 1.292 6 residues pruned to eliminate duplicates Z: 13 5.551 1.597 0.529 0.475 0.750 0.333 CB 0.897 19 residues pruned to eliminate duplicates Z: 8 12.936 2.085 0.558 0.795 0.714 0.571 CB 1.627 8 residues pruned to eliminate duplicates Z: 68 34.840 2.015 0.530 0.542 0.896 0.582 CA 1.479 68 residues pruned to eliminate duplicates Z: 27 11.418 1.847 0.403 0.340 0.846 0.500 CB 1.217 27 residues pruned to eliminate duplicates Z: 11 4.728 1.293 0.600 0.381 0.800 0.400 CA 1.025 Z: 26 15.419 1.976 0.264 0.498 0.920 0.520 CB 1.345 26 residues pruned to eliminate duplicates Z: 7 3.466 1.541 -0.079 0.415 0.833 0.667 N 1.309 Z: 11 11.397 2.066 0.137 0.415 1.000 0.600 CB 1.678 11 residues pruned to eliminate duplicates Z: 8 2.637 1.682 -0.027 0.343 0.714 0.571 CB 1.012 8 residues pruned to eliminate duplicates 8 1.609 1.165 0.203 0.329 0.714 0.429 C 0.734 ? Z: 7 3.576 1.442 0.283 0.664 0.833 0.833 CB 0.814 Z: 12 7.460 1.628 0.422 0.559 0.909 0.636 CB 1.009 7 residues pruned to eliminate duplicates Z: 11 3.488 1.375 0.335 0.310 0.700 0.500 CB 1.060 Z: 7 3.491 1.733 0.139 0.249 0.833 0.500 CA 1.156 Z: 9 6.412 1.521 0.646 0.708 0.625 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 19 7.727 1.669 0.381 0.351 0.778 0.500 CB 1.195 19 residues pruned to eliminate duplicates Z: 27 14.905 1.837 0.337 0.521 0.885 0.462 CB 1.318 27 residues pruned to eliminate duplicates Z: 9 3.856 1.500 0.323 0.265 0.875 0.750 CB 1.026 9 residues pruned to eliminate duplicates Z: 18 11.850 1.868 0.432 0.412 0.882 0.588 CA 1.335 18 residues pruned to eliminate duplicates 6 1.542 1.212 0.248 0.245 0.800 0.400 CB 0.765 ? Z: 19 10.724 1.920 0.183 0.406 0.944 0.500 CB 1.300 19 residues pruned to eliminate duplicates 6 1.267 1.432 0.394 0.298 0.800 0.600 CB 0.444 ? Z: 11 4.675 1.562 0.448 0.329 0.800 0.700 CB 0.985 11 residues pruned to eliminate duplicates Z: 8 5.704 1.554 0.423 0.497 1.000 0.571 O 0.978 Z: 28 23.799 2.127 0.581 0.367 0.963 0.519 CB 1.632 28 residues pruned to eliminate duplicates Z: 6 4.729 1.580 0.212 0.493 1.000 0.800 O 1.113 Z: 11 9.535 2.005 0.266 0.586 1.000 0.900 CA 1.094 11 residues pruned to eliminate duplicates Z: 7 3.087 1.501 0.657 0.405 0.667 0.500 CB 0.840 7 residues pruned to eliminate duplicates Z: 7 2.977 1.306 0.164 0.398 1.000 0.500 CA 0.890 Z: 20 12.802 1.852 0.469 0.448 0.895 0.474 CB 1.273 20 residues pruned to eliminate duplicates Z: 6 3.207 1.740 0.781 0.233 0.600 0.400 CB 1.052 Z: 8 9.268 1.978 0.764 0.336 1.000 0.571 CB 1.201 10 residues pruned to eliminate duplicates Z: 15 14.490 1.845 0.500 0.507 0.929 0.429 CA 1.497 17 residues pruned to eliminate duplicates Z: 14 11.476 1.774 0.451 0.491 0.923 0.615 CA 1.351 14 residues pruned to eliminate duplicates 6 1.471 1.194 0.325 0.527 0.600 0.400 O 0.675 ? Z: 8 6.484 1.450 0.263 0.623 1.000 0.714 CA 1.192 8 residues pruned to eliminate duplicates Z: 6 2.536 1.653 0.335 0.400 0.800 0.400 CB 0.714 6 residues pruned to eliminate duplicates Z: 49 35.182 2.068 0.392 0.703 1.000 0.750 CA 1.466 49 residues pruned to eliminate duplicates Z: 10 2.145 1.315 0.252 0.272 0.556 0.333 N 1.012 Z: 7 5.847 1.772 0.369 0.333 1.000 0.667 CA 1.182 7 residues pruned to eliminate duplicates Z: 7 2.962 1.325 0.715 0.315 0.833 0.500 O 0.783 Z: 7 2.096 1.766 -0.334 0.164 0.833 0.667 CB 1.314 7 residues pruned to eliminate duplicates Z: 7 5.891 1.757 -0.037 0.468 1.000 0.500 CA 1.468 7 residues pruned to eliminate duplicates Z: 7 3.857 1.924 0.246 0.254 0.833 0.667 CB 1.045 7 residues pruned to eliminate duplicates Z: 7 8.012 1.754 0.509 0.726 0.833 0.833 CA 1.210 7 residues pruned to eliminate duplicates Z: 7 5.171 1.849 0.306 0.521 0.833 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 9 6.031 1.378 0.229 0.748 1.000 0.750 N 1.009 Z: 15 19.614 1.833 0.476 0.785 1.000 0.500 CB 1.509 15 residues pruned to eliminate duplicates Z: 7 3.677 1.385 0.473 0.698 1.000 0.667 CB 0.614 Z: 17 10.042 1.812 0.325 0.542 0.812 0.688 CA 1.235 17 residues pruned to eliminate duplicates Z: 16 21.245 2.040 0.382 0.785 1.000 0.867 CA 1.514 16 residues pruned to eliminate duplicates Z: 10 3.302 1.546 0.339 0.294 0.667 0.556 CB 1.004 10 residues pruned to eliminate duplicates Z: 28 11.378 1.841 0.257 0.384 0.889 0.556 CB 1.204 28 residues pruned to eliminate duplicates Z: 7 5.057 1.568 0.689 0.395 0.833 0.500 CB 1.046 Z: 73 43.661 2.145 0.835 0.514 0.889 0.389 CB 1.451 73 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 2.743 1.632 0.308 0.190 0.500 0.300 N 1.178 8 residues pruned to eliminate duplicates Z: 6 6.023 1.395 0.697 0.462 1.000 0.400 O 1.183 7 residues pruned to eliminate duplicates Z: 6 3.441 1.449 0.662 0.305 0.800 0.200 CA 0.993 6 residues pruned to eliminate duplicates Z: 11 7.607 1.564 0.546 0.461 0.900 0.600 CB 1.150 11 residues pruned to eliminate duplicates Z: 6 9.629 1.829 0.487 0.832 1.000 0.800 CA 1.189 6 residues pruned to eliminate duplicates Z: 13 5.791 1.523 0.709 0.446 0.833 0.417 CB 0.815 13 residues pruned to eliminate duplicates Z: 9 5.076 1.607 0.507 0.568 0.750 0.750 CB 0.925 9 residues pruned to eliminate duplicates Z: 7 4.260 1.817 0.360 0.310 0.833 0.333 CA 1.043 7 residues pruned to eliminate duplicates Z: 17 9.295 1.809 0.375 0.488 0.875 0.500 CB 1.081 17 residues pruned to eliminate duplicates Z: 18 11.643 1.815 0.462 0.437 0.941 0.529 CA 1.207 17 residues pruned to eliminate duplicates Z: 17 11.614 1.866 0.479 0.467 0.938 0.562 CB 1.161 17 residues pruned to eliminate duplicates Z: 17 8.702 1.795 0.372 0.416 0.938 0.438 CB 1.029 18 residues pruned to eliminate duplicates Z: 13 9.190 1.761 0.346 0.499 0.917 0.667 CA 1.222 13 residues pruned to eliminate duplicates Z: 19 10.896 1.776 0.416 0.446 0.944 0.500 CA 1.142 18 residues pruned to eliminate duplicates Z: 12 9.510 1.887 0.417 0.473 0.909 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 13 7.287 1.793 0.365 0.373 0.833 0.750 CB 1.182 13 residues pruned to eliminate duplicates Z: 14 8.972 1.745 0.337 0.449 0.923 0.615 CB 1.218 14 residues pruned to eliminate duplicates Z: 14 6.964 1.769 0.304 0.386 0.846 0.615 CB 1.116 14 residues pruned to eliminate duplicates Z: 11 11.621 1.874 0.406 0.584 1.000 0.400 CB 1.287 11 residues pruned to eliminate duplicates Z: 11 10.368 1.866 0.471 0.411 1.000 0.500 CB 1.310 11 residues pruned to eliminate duplicates Z: 17 9.480 1.805 0.575 0.426 0.812 0.312 CB 1.108 18 residues pruned to eliminate duplicates Z: 47 18.694 1.851 0.379 0.390 0.935 0.500 CB 1.299 47 residues pruned to eliminate duplicates Z: 49 20.971 1.906 0.383 0.460 0.917 0.583 CB 1.305 49 residues pruned to eliminate duplicates Z: 36 16.205 1.794 0.478 0.395 0.943 0.457 CB 1.224 35 residues pruned to eliminate duplicates Z: 55 22.075 1.902 0.469 0.429 0.907 0.519 CB 1.275 56 residues pruned to eliminate duplicates Z: 31 18.246 1.827 0.481 0.422 1.000 0.467 CA 1.336 31 residues pruned to eliminate duplicates Z: 48 22.442 1.938 0.392 0.486 0.957 0.638 CB 1.285 48 residues pruned to eliminate duplicates Z: 54 23.443 1.929 0.462 0.462 0.925 0.547 CB 1.285 54 residues pruned to eliminate duplicates Z: 39 23.067 1.955 0.416 0.487 0.974 0.632 CA 1.406 37 residues pruned to eliminate duplicates Z: 9 8.252 1.639 0.581 0.355 1.000 0.500 CB 1.316 9 residues pruned to eliminate duplicates Z: 20 14.203 1.843 0.408 0.390 1.000 0.684 CA 1.412 20 residues pruned to eliminate duplicates Z: 49 19.708 1.919 0.363 0.409 0.875 0.583 CB 1.368 49 residues pruned to eliminate duplicates Z: 39 21.077 1.915 0.395 0.459 0.947 0.579 CB 1.410 39 residues pruned to eliminate duplicates Z: 29 18.990 1.943 0.319 0.461 1.000 0.536 CA 1.458 29 residues pruned to eliminate duplicates Z: 38 19.964 1.916 0.376 0.500 0.919 0.622 CA 1.355 38 residues pruned to eliminate duplicates Z: 56 24.018 1.915 0.382 0.440 0.964 0.527 CA 1.350 56 residues pruned to eliminate duplicates Z: 7 5.185 1.810 0.287 0.333 1.000 0.333 CA 1.091 7 residues pruned to eliminate duplicates Z: 41 23.298 1.928 0.424 0.493 0.950 0.575 CB 1.423 41 residues pruned to eliminate duplicates Z: 42 18.647 1.852 0.422 0.395 0.951 0.439 CB 1.299 42 residues pruned to eliminate duplicates Z: 38 22.496 1.956 0.440 0.465 0.946 0.622 CA 1.439 38 residues pruned to eliminate duplicates Z: 16 11.632 1.938 0.233 0.411 1.000 0.467 CA 1.380 16 residues pruned to eliminate duplicates Z: 25 15.075 1.991 0.320 0.433 0.917 0.500 CB 1.369 25 residues pruned to eliminate duplicates Z: 40 20.653 1.927 0.377 0.466 0.949 0.564 CA 1.360 40 residues pruned to eliminate duplicates Z: 6 4.543 1.675 0.381 0.368 0.800 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 56 24.942 1.914 0.451 0.470 0.964 0.582 CB 1.295 56 residues pruned to eliminate duplicates Z: 59 23.455 1.866 0.415 0.492 0.931 0.603 CB 1.262 57 residues pruned to eliminate duplicates Z: 6 3.317 1.511 1.088 0.462 1.000 0.400 CB 0.489 6 residues pruned to eliminate duplicates Z: 9 15.860 2.010 0.660 0.667 1.000 0.750 CA 1.440 9 residues pruned to eliminate duplicates Z: 12 15.135 1.937 0.668 0.627 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 55 23.110 1.913 0.403 0.447 0.926 0.519 CB 1.336 55 residues pruned to eliminate duplicates Z: 50 21.436 1.912 0.413 0.455 0.918 0.592 CB 1.291 50 residues pruned to eliminate duplicates Z: 39 22.418 1.955 0.460 0.492 0.921 0.605 CA 1.395 39 residues pruned to eliminate duplicates Z: 26 19.289 2.021 0.442 0.531 0.920 0.640 CB 1.396 27 residues pruned to eliminate duplicates 6 1.580 1.547 0.260 0.294 1.000 0.400 CB 0.457 ? Z: 6 5.419 1.619 0.668 0.570 0.800 0.200 CA 1.049 6 residues pruned to eliminate duplicates Z: 7 7.932 1.652 1.126 0.656 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 6 2.313 1.581 0.770 0.357 0.600 0.400 CB 0.719 6 residues pruned to eliminate duplicates Z: 12 8.572 1.787 0.703 0.380 0.818 0.455 CB 1.180 12 residues pruned to eliminate duplicates Z: 7 3.621 1.492 0.542 0.346 0.833 0.500 N 0.912 Z: 10 12.070 1.834 0.658 0.532 1.000 0.444 CB 1.282 16 residues pruned to eliminate duplicates Z: 8 9.972 1.660 0.969 0.549 1.000 0.429 CA 1.100 7 residues pruned to eliminate duplicates Z: 6 11.005 1.645 0.896 0.755 1.000 0.400 CA 1.256 6 residues pruned to eliminate duplicates Z: 10 8.557 1.881 0.991 0.366 0.778 0.444 CA 1.131 10 residues pruned to eliminate duplicates Z: 9 12.131 1.939 0.554 0.528 1.000 0.750 CA 1.385 9 residues pruned to eliminate duplicates Z: 6 5.404 1.967 0.204 0.655 1.000 0.200 CB 0.884 6 residues pruned to eliminate duplicates Z: 25 14.268 1.821 0.488 0.435 0.917 0.500 CB 1.254 25 residues pruned to eliminate duplicates Z: 26 18.446 1.912 0.521 0.503 0.960 0.560 CA 1.318 25 residues pruned to eliminate duplicates Z: 8 7.436 1.761 0.364 0.637 0.857 0.571 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 9.857 1.822 0.536 0.462 0.900 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 26 17.783 1.905 0.432 0.511 0.960 0.640 CB 1.344 26 residues pruned to eliminate duplicates Z: 8 9.461 1.860 0.482 0.419 1.000 0.143 CB 1.413 8 residues pruned to eliminate duplicates Z: 20 15.317 1.952 0.585 0.463 0.895 0.526 CB 1.317 20 residues pruned to eliminate duplicates Z: 26 18.310 1.934 0.472 0.470 0.960 0.600 CB 1.381 26 residues pruned to eliminate duplicates Z: 6 4.048 1.586 0.580 0.224 0.800 0.400 CB 1.247 6 residues pruned to eliminate duplicates Z: 25 16.280 1.907 0.540 0.453 0.958 0.583 CA 1.239 25 residues pruned to eliminate duplicates Z: 17 12.079 1.966 0.475 0.388 0.938 0.750 CA 1.250 17 residues pruned to eliminate duplicates Z: 24 15.750 1.935 0.442 0.404 0.957 0.565 CB 1.361 24 residues pruned to eliminate duplicates Z: 24 16.875 1.928 0.568 0.422 0.957 0.478 CA 1.319 24 residues pruned to eliminate duplicates Z: 20 10.589 1.822 0.599 0.304 0.842 0.421 CA 1.231 20 residues pruned to eliminate duplicates Z: 8 5.385 1.849 0.263 0.379 0.857 0.429 CA 1.157 8 residues pruned to eliminate duplicates Z: 24 13.581 1.951 0.439 0.349 0.913 0.348 CB 1.301 24 residues pruned to eliminate duplicates Z: 10 6.852 1.720 0.346 0.456 0.889 0.556 CA 1.160 8 residues pruned to eliminate duplicates Z: 6 4.574 1.794 0.847 0.360 0.800 0.400 CA 0.898 12 residues pruned to eliminate duplicates 6 1.914 1.413 0.554 0.154 0.800 0.000 CA 0.745 ? 6 1.338 1.376 0.496 0.200 1.000 0.400 CB 0.415 ? Z: 7 6.775 1.568 0.674 0.521 1.000 0.667 CA 1.031 7 residues pruned to eliminate duplicates Z: 100 41.614 2.048 0.478 0.508 0.919 0.566 CB 1.491 98 residues pruned to eliminate duplicates Z: 6 2.212 1.414 0.323 0.579 0.800 0.600 CB 0.613 6 residues pruned to eliminate duplicates Z: 14 7.169 1.811 0.385 0.377 0.846 0.615 CB 1.069 14 residues pruned to eliminate duplicates Z: 11 6.877 1.837 0.299 0.373 0.900 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 16 9.064 1.858 0.450 0.348 0.867 0.600 CB 1.182 16 residues pruned to eliminate duplicates Z: 30 13.879 1.899 0.509 0.366 0.793 0.379 CB 1.310 31 residues pruned to eliminate duplicates Z: 6 2.967 1.475 0.388 0.417 0.800 0.600 CA 0.884 Z: 7 3.179 1.333 0.155 0.450 1.000 1.000 CB 0.886 Z: 9 5.983 1.748 0.304 0.460 0.875 0.500 CA 1.105 9 residues pruned to eliminate duplicates Z: 27 14.947 1.929 0.401 0.396 0.885 0.538 CA 1.368 27 residues pruned to eliminate duplicates Z: 25 14.071 1.940 0.396 0.418 0.875 0.458 CA 1.320 31 residues pruned to eliminate duplicates Z: 64 35.469 2.039 0.463 0.592 0.937 0.571 CA 1.465 64 residues pruned to eliminate duplicates Z: 39 20.499 1.955 0.323 0.563 0.868 0.658 CA 1.393 39 residues pruned to eliminate duplicates Z: 34 21.690 2.073 0.285 0.621 0.909 0.758 CA 1.390 34 residues pruned to eliminate duplicates Z: 83 36.047 2.081 0.403 0.524 0.890 0.598 CA 1.495 83 residues pruned to eliminate duplicates Z: 49 34.144 2.089 0.377 0.660 0.958 0.625 CA 1.540 49 residues pruned to eliminate duplicates Z: 37 23.879 2.096 0.271 0.612 0.944 0.667 CA 1.423 37 residues pruned to eliminate duplicates Z: 14 11.730 2.062 0.332 0.439 0.923 0.692 CA 1.366 14 residues pruned to eliminate duplicates Z: 54 32.247 2.059 0.398 0.600 0.943 0.660 CA 1.482 54 residues pruned to eliminate duplicates Z: 34 28.133 2.115 0.410 0.651 1.000 0.697 CA 1.427 34 residues pruned to eliminate duplicates Z: 27 21.931 2.102 0.151 0.674 1.000 0.731 CA 1.514 27 residues pruned to eliminate duplicates Z: 54 25.948 2.040 0.272 0.563 0.887 0.585 CA 1.457 54 residues pruned to eliminate duplicates Z: 37 25.103 2.041 0.326 0.593 0.944 0.722 CA 1.498 37 residues pruned to eliminate duplicates Z: 25 22.688 2.184 0.271 0.684 0.958 0.792 CA 1.469 25 residues pruned to eliminate duplicates Z: 72 31.846 2.069 0.357 0.509 0.944 0.620 CA 1.414 72 residues pruned to eliminate duplicates Z: 27 22.718 2.102 0.214 0.717 1.000 0.692 CA 1.435 27 residues pruned to eliminate duplicates Z: 62 30.820 2.098 0.403 0.494 0.967 0.574 CA 1.395 62 residues pruned to eliminate duplicates Z: 37 27.266 2.079 0.500 0.587 0.944 0.611 CA 1.419 37 residues pruned to eliminate duplicates Z: 49 39.961 2.125 0.568 0.676 0.958 0.562 CA 1.536 49 residues pruned to eliminate duplicates Z: 69 37.417 2.103 0.512 0.533 0.941 0.515 CA 1.468 69 residues pruned to eliminate duplicates Z: 49 30.650 1.997 0.459 0.577 1.000 0.708 CA 1.411 49 residues pruned to eliminate duplicates Z: 29 25.436 2.058 0.486 0.654 0.964 0.786 CA 1.412 29 residues pruned to eliminate duplicates Z: 46 40.873 2.123 0.569 0.702 0.978 0.689 CA 1.557 46 residues pruned to eliminate duplicates Z: 53 35.925 2.078 0.558 0.619 0.962 0.596 CA 1.431 53 residues pruned to eliminate duplicates Z: 67 38.053 2.119 0.485 0.553 0.955 0.530 CA 1.482 67 residues pruned to eliminate duplicates Z: 46 31.287 2.096 0.439 0.649 0.889 0.644 CA 1.515 46 residues pruned to eliminate duplicates Z: 62 36.052 2.082 0.582 0.491 0.967 0.393 CA 1.462 62 residues pruned to eliminate duplicates Z: 47 26.838 2.050 0.449 0.515 0.891 0.478 CA 1.474 47 residues pruned to eliminate duplicates Z: 28 17.422 1.888 0.627 0.378 0.926 0.444 CB 1.343 28 residues pruned to eliminate duplicates Z: 39 35.469 2.098 0.578 0.681 0.974 0.605 CA 1.511 39 residues pruned to eliminate duplicates Z: 40 25.444 1.999 0.474 0.534 0.949 0.538 CA 1.410 40 residues pruned to eliminate duplicates Z: 61 33.931 2.070 0.495 0.565 0.917 0.567 CA 1.450 61 residues pruned to eliminate duplicates Z: 10 8.533 1.991 0.164 0.370 1.000 0.556 CB 1.410 10 residues pruned to eliminate duplicates Z: 49 24.957 1.998 0.529 0.514 0.854 0.542 CB 1.362 49 residues pruned to eliminate duplicates Z: 70 33.320 2.045 0.411 0.544 0.899 0.551 CA 1.482 70 residues pruned to eliminate duplicates Z: 44 31.031 2.118 0.506 0.521 0.953 0.581 CA 1.525 44 residues pruned to eliminate duplicates Z: 50 32.055 2.112 0.419 0.538 0.959 0.510 CA 1.535 50 residues pruned to eliminate duplicates Z: 26 18.383 2.032 0.399 0.578 0.920 0.600 CB 1.304 26 residues pruned to eliminate duplicates Z: 52 34.688 2.113 0.351 0.638 0.980 0.627 CA 1.526 52 residues pruned to eliminate duplicates Z: 18 21.253 2.139 0.613 0.550 0.882 0.471 CA 1.612 18 residues pruned to eliminate duplicates Z: 60 35.833 2.116 0.501 0.537 0.932 0.525 CA 1.519 60 residues pruned to eliminate duplicates Z: 53 35.041 2.124 0.445 0.615 0.923 0.577 CA 1.538 53 residues pruned to eliminate duplicates Z: 65 34.069 2.091 0.430 0.519 0.922 0.516 CB 1.516 65 residues pruned to eliminate duplicates Z: 64 32.713 2.066 0.471 0.497 0.905 0.413 CA 1.504 64 residues pruned to eliminate duplicates Z: 41 26.999 2.114 0.544 0.445 0.900 0.450 CA 1.537 41 residues pruned to eliminate duplicates Z: 48 29.993 2.090 0.528 0.498 0.894 0.489 CB 1.536 48 residues pruned to eliminate duplicates Z: 40 27.870 2.114 0.501 0.463 0.949 0.513 CA 1.539 40 residues pruned to eliminate duplicates Z: 49 36.668 2.141 0.454 0.675 0.979 0.625 CA 1.478 49 residues pruned to eliminate duplicates Z: 24 19.648 2.073 0.508 0.549 0.913 0.391 CB 1.368 24 residues pruned to eliminate duplicates Z: 49 29.254 2.055 0.519 0.497 0.938 0.500 CB 1.447 49 residues pruned to eliminate duplicates Z: 39 29.694 2.159 0.534 0.473 0.974 0.605 CB 1.536 39 residues pruned to eliminate duplicates Z: 31 19.552 2.057 0.550 0.393 0.900 0.467 CA 1.393 31 residues pruned to eliminate duplicates Z: 43 24.802 2.080 0.506 0.419 0.881 0.429 CA 1.509 43 residues pruned to eliminate duplicates Z: 62 40.508 2.160 0.490 0.572 0.951 0.557 CA 1.581 62 residues pruned to eliminate duplicates Z: 61 39.995 2.122 0.589 0.536 0.933 0.517 CA 1.585 61 residues pruned to eliminate duplicates Z: 71 40.603 2.133 0.487 0.567 0.929 0.557 CA 1.545 71 residues pruned to eliminate duplicates Z: 25 14.807 2.019 0.499 0.362 0.833 0.417 CA 1.390 25 residues pruned to eliminate duplicates Z: 64 35.088 2.130 0.521 0.504 0.873 0.492 CA 1.557 64 residues pruned to eliminate duplicates Z: 29 19.979 2.125 0.511 0.412 0.857 0.357 CA 1.504 29 residues pruned to eliminate duplicates Z: 66 39.992 2.138 0.519 0.570 0.923 0.554 CA 1.547 66 residues pruned to eliminate duplicates Z: 30 18.132 2.037 0.669 0.376 0.793 0.552 CA 1.425 30 residues pruned to eliminate duplicates Z: 24 22.007 2.159 0.699 0.346 0.913 0.565 CA 1.620 24 residues pruned to eliminate duplicates Z: 24 17.179 2.138 0.648 0.307 0.826 0.522 CA 1.525 24 residues pruned to eliminate duplicates Z: 24 20.208 2.141 0.541 0.383 0.913 0.522 CA 1.584 24 residues pruned to eliminate duplicates Z: 42 29.016 2.074 0.674 0.456 0.927 0.561 CB 1.473 42 residues pruned to eliminate duplicates Z: 36 24.007 2.002 0.706 0.399 0.886 0.429 CB 1.492 36 residues pruned to eliminate duplicates Z: 11 6.854 1.932 0.588 0.479 0.600 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 16 12.645 1.967 0.485 0.484 0.867 0.400 CB 1.310 16 residues pruned to eliminate duplicates Z: 30 22.632 2.083 0.615 0.401 0.931 0.552 CA 1.490 30 residues pruned to eliminate duplicates Z: 39 16.878 1.830 0.608 0.372 0.816 0.579 CA 1.308 39 residues pruned to eliminate duplicates Z: 10 9.042 1.682 0.432 0.745 0.889 0.667 CA 1.131 10 residues pruned to eliminate duplicates Z: 6 7.532 1.964 0.693 0.415 0.800 0.400 CA 1.384 6 residues pruned to eliminate duplicates Z: 10 5.537 1.723 0.760 0.261 0.778 0.333 CA 1.028 10 residues pruned to eliminate duplicates Z: 10 5.759 1.918 0.474 0.215 0.778 0.333 CA 1.221 10 residues pruned to eliminate duplicates Z: 10 8.919 1.891 0.766 0.252 1.000 0.444 CA 1.184 10 residues pruned to eliminate duplicates Z: 6 4.233 2.038 0.667 0.268 0.800 0.400 CB 0.906 6 residues pruned to eliminate duplicates Z: 10 4.184 1.823 0.734 0.147 0.778 0.444 CB 0.876 10 residues pruned to eliminate duplicates Z: 42 17.616 1.860 0.335 0.432 0.878 0.610 CB 1.353 41 residues pruned to eliminate duplicates Z: 6 6.503 1.803 0.290 0.670 1.000 0.800 CB 1.068 6 residues pruned to eliminate duplicates Z: 28 17.814 1.972 0.548 0.380 0.889 0.593 CA 1.436 29 residues pruned to eliminate duplicates Z: 8 4.459 1.694 0.090 0.426 1.000 1.000 CA 0.986 8 residues pruned to eliminate duplicates Z: 32 14.529 1.895 0.475 0.331 0.839 0.645 CB 1.340 32 residues pruned to eliminate duplicates Z: 28 13.382 1.910 0.524 0.285 0.889 0.556 CA 1.268 28 residues pruned to eliminate duplicates Z: 32 14.049 1.852 0.479 0.348 0.839 0.484 CA 1.296 32 residues pruned to eliminate duplicates Z: 10 10.491 2.107 0.492 0.447 0.778 0.667 CA 1.510 10 residues pruned to eliminate duplicates Z: 32 16.355 1.909 0.505 0.317 0.871 0.484 CB 1.437 28 residues pruned to eliminate duplicates Z: 6 2.271 1.263 0.038 0.450 0.800 0.400 C 1.019 Z: 20 9.868 1.793 0.417 0.398 0.895 0.737 CB 1.109 26 residues pruned to eliminate duplicates Z: 20 11.432 1.829 0.472 0.404 0.842 0.579 CB 1.279 21 residues pruned to eliminate duplicates Z: 7 4.000 1.747 0.181 0.354 0.833 0.333 CB 1.112 7 residues pruned to eliminate duplicates Z: 11 5.703 1.712 0.001 0.426 1.000 0.500 CB 1.137 11 residues pruned to eliminate duplicates Z: 44 16.614 1.894 0.441 0.362 0.837 0.581 CB 1.285 44 residues pruned to eliminate duplicates Z: 29 13.512 1.867 0.255 0.469 0.857 0.607 CB 1.313 32 residues pruned to eliminate duplicates Z: 7 3.881 1.616 0.410 0.246 0.833 0.167 CB 1.118 7 residues pruned to eliminate duplicates Z: 14 9.148 1.819 0.320 0.460 1.000 0.769 CB 1.101 14 residues pruned to eliminate duplicates Z: 12 10.684 1.858 0.384 0.453 1.000 0.636 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 9.469 1.849 0.340 0.466 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 6 7.004 1.935 0.340 0.552 1.000 0.600 CB 1.148 6 residues pruned to eliminate duplicates Z: 14 6.955 1.840 0.253 0.391 0.923 0.462 CB 1.018 14 residues pruned to eliminate duplicates Z: 25 9.421 1.832 0.257 0.388 0.792 0.667 CB 1.188 25 residues pruned to eliminate duplicates Z: 9 5.893 1.791 0.474 0.312 0.750 0.250 CA 1.296 9 residues pruned to eliminate duplicates Z: 29 11.864 1.797 0.349 0.377 0.857 0.536 CB 1.231 29 residues pruned to eliminate duplicates Z: 8 6.702 1.801 0.574 0.398 0.857 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 46 15.254 1.836 0.298 0.376 0.867 0.556 CB 1.258 46 residues pruned to eliminate duplicates Z: 39 16.628 1.848 0.381 0.416 0.921 0.526 CB 1.253 39 residues pruned to eliminate duplicates Z: 21 16.059 1.971 0.572 0.412 0.950 0.650 CB 1.337 21 residues pruned to eliminate duplicates Z: 16 12.597 1.836 0.386 0.389 0.933 0.667 CB 1.540 16 residues pruned to eliminate duplicates Z: 19 13.600 1.952 0.427 0.414 0.889 0.611 CB 1.417 19 residues pruned to eliminate duplicates Z: 20 14.444 1.919 0.526 0.417 0.895 0.632 CB 1.380 20 residues pruned to eliminate duplicates Z: 19 12.868 1.923 0.395 0.429 0.889 0.556 CB 1.368 19 residues pruned to eliminate duplicates Z: 17 15.426 1.953 0.593 0.437 0.938 0.625 CB 1.411 17 residues pruned to eliminate duplicates Z: 26 12.006 1.899 0.374 0.355 0.840 0.480 CB 1.281 26 residues pruned to eliminate duplicates Z: 18 15.627 1.980 0.574 0.379 0.941 0.588 CB 1.470 18 residues pruned to eliminate duplicates Z: 24 15.088 1.827 0.535 0.461 0.913 0.609 CB 1.279 24 residues pruned to eliminate duplicates Z: 54 20.304 1.916 0.366 0.403 0.887 0.585 CB 1.331 54 residues pruned to eliminate duplicates Z: 16 12.623 1.944 0.399 0.419 0.933 0.600 CB 1.398 16 residues pruned to eliminate duplicates Z: 16 15.716 1.961 0.593 0.485 0.933 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 27 18.078 1.924 0.596 0.440 0.885 0.577 CB 1.388 27 residues pruned to eliminate duplicates Z: 13 8.102 1.873 0.208 0.354 0.917 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 12 7.345 1.857 0.425 0.305 0.818 0.545 CA 1.270 12 residues pruned to eliminate duplicates Z: 14 11.762 1.966 0.609 0.455 0.846 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 8 11.256 1.845 0.759 0.438 1.000 0.714 CA 1.398 8 residues pruned to eliminate duplicates Z: 13 7.961 1.778 0.565 0.420 0.833 0.417 CA 1.077 13 residues pruned to eliminate duplicates Z: 78 45.051 2.146 0.599 0.560 0.935 0.597 CB 1.509 78 residues pruned to eliminate duplicates Z: 81 44.938 2.134 0.525 0.543 0.963 0.688 CB 1.539 81 residues pruned to eliminate duplicates Z: 83 45.838 2.151 0.578 0.556 0.939 0.585 CB 1.504 83 residues pruned to eliminate duplicates Z: 38 15.301 1.873 0.494 0.363 0.838 0.486 CB 1.242 38 residues pruned to eliminate duplicates Z: 51 45.738 2.202 0.663 0.691 0.940 0.720 CA 1.578 51 residues pruned to eliminate duplicates Z: 51 44.288 2.168 0.723 0.669 0.900 0.660 CA 1.595 51 residues pruned to eliminate duplicates Z: 26 25.356 2.237 0.525 0.570 0.880 0.680 CB 1.579 26 residues pruned to eliminate duplicates Z: 69 43.587 2.197 0.616 0.561 0.926 0.618 CB 1.515 69 residues pruned to eliminate duplicates Z: 61 44.508 2.198 0.602 0.581 0.950 0.600 CA 1.589 61 residues pruned to eliminate duplicates Z: 40 33.240 2.135 0.674 0.636 0.923 0.513 CA 1.421 40 residues pruned to eliminate duplicates Z: 68 47.696 2.161 0.761 0.599 0.940 0.612 CB 1.482 68 residues pruned to eliminate duplicates Z: 31 38.011 2.243 0.623 0.734 0.967 0.800 CB 1.598 31 residues pruned to eliminate duplicates Z: 76 48.398 2.166 0.645 0.553 0.973 0.573 CB 1.531 76 residues pruned to eliminate duplicates Z: 40 50.213 2.279 0.780 0.741 0.974 0.744 CA 1.638 40 residues pruned to eliminate duplicates Z: 43 40.370 2.183 0.848 0.624 0.905 0.762 CA 1.519 43 residues pruned to eliminate duplicates Z: 32 37.410 2.254 0.629 0.741 0.903 0.677 CA 1.633 32 residues pruned to eliminate duplicates Z: 32 38.200 2.219 0.744 0.738 0.903 0.677 CA 1.586 32 residues pruned to eliminate duplicates Z: 50 47.939 2.221 0.729 0.655 0.959 0.735 CA 1.610 50 residues pruned to eliminate duplicates Z: 30 43.728 2.296 0.837 0.724 0.966 0.690 CA 1.629 30 residues pruned to eliminate duplicates Z: 43 49.661 2.256 0.813 0.714 0.976 0.690 CA 1.580 43 residues pruned to eliminate duplicates Z: 55 40.992 2.186 0.675 0.603 0.889 0.630 CB 1.554 55 residues pruned to eliminate duplicates Z: 68 48.774 2.206 0.725 0.560 0.970 0.597 CB 1.523 68 residues pruned to eliminate duplicates Z: 42 46.333 2.210 0.804 0.734 0.976 0.683 CA 1.507 42 residues pruned to eliminate duplicates Z: 44 47.972 2.242 0.856 0.714 0.953 0.605 CB 1.518 44 residues pruned to eliminate duplicates Z: 42 44.686 2.230 0.774 0.726 0.927 0.610 CA 1.553 42 residues pruned to eliminate duplicates Z: 72 40.173 2.099 0.718 0.572 0.859 0.577 CB 1.435 72 residues pruned to eliminate duplicates Z: 35 45.034 2.277 0.850 0.728 0.971 0.441 CB 1.538 35 residues pruned to eliminate duplicates Z: 59 42.874 2.076 0.798 0.578 0.966 0.586 CB 1.449 59 residues pruned to eliminate duplicates Z: 46 44.606 2.231 0.811 0.680 0.933 0.600 CB 1.494 46 residues pruned to eliminate duplicates Z: 34 34.964 2.225 0.760 0.660 0.909 0.636 CA 1.474 34 residues pruned to eliminate duplicates Z: 29 47.588 2.285 0.991 0.774 0.964 0.607 CA 1.610 29 residues pruned to eliminate duplicates Z: 50 47.706 2.202 0.704 0.661 1.000 0.653 CA 1.564 50 residues pruned to eliminate duplicates Z: 51 44.938 2.190 0.738 0.661 0.940 0.580 CB 1.530 51 residues pruned to eliminate duplicates Z: 43 47.905 2.237 0.809 0.702 0.952 0.571 CB 1.595 43 residues pruned to eliminate duplicates Z: 43 49.661 2.213 0.923 0.676 0.976 0.524 CB 1.568 43 residues pruned to eliminate duplicates Z: 42 54.123 2.264 0.976 0.708 0.976 0.585 CB 1.603 42 residues pruned to eliminate duplicates Z: 74 49.582 2.194 0.725 0.570 0.918 0.548 CB 1.562 74 residues pruned to eliminate duplicates Z: 50 45.370 2.191 0.815 0.660 0.898 0.531 CA 1.566 50 residues pruned to eliminate duplicates Z: 43 47.731 2.227 0.909 0.716 0.905 0.619 CB 1.575 43 residues pruned to eliminate duplicates Z: 42 51.388 2.246 0.873 0.719 0.976 0.512 CB 1.604 42 residues pruned to eliminate duplicates Z: 46 42.698 2.223 0.842 0.651 0.933 0.422 CB 1.446 46 residues pruned to eliminate duplicates Z: 27 26.593 2.173 0.832 0.699 0.808 0.269 CB 1.353 27 residues pruned to eliminate duplicates Z: 42 44.840 2.233 0.886 0.704 0.902 0.561 CB 1.529 42 residues pruned to eliminate duplicates Z: 30 33.498 2.178 0.970 0.641 0.862 0.483 CB 1.474 30 residues pruned to eliminate duplicates Z: 75 51.299 2.177 0.789 0.570 0.959 0.514 CB 1.491 75 residues pruned to eliminate duplicates Z: 73 50.343 2.211 0.733 0.578 0.958 0.486 CB 1.500 73 residues pruned to eliminate duplicates Z: 42 26.146 2.107 0.714 0.452 0.854 0.390 CB 1.391 42 residues pruned to eliminate duplicates Z: 69 49.077 2.201 0.796 0.566 0.971 0.500 CB 1.455 69 residues pruned to eliminate duplicates Z: 64 46.542 2.186 0.809 0.556 0.952 0.508 CB 1.474 64 residues pruned to eliminate duplicates Z: 32 25.868 2.144 0.621 0.396 0.968 0.452 CB 1.541 32 residues pruned to eliminate duplicates Z: 78 44.815 2.131 0.760 0.555 0.870 0.506 CB 1.484 78 residues pruned to eliminate duplicates Z: 31 19.606 2.131 0.478 0.383 0.933 0.533 CB 1.378 31 residues pruned to eliminate duplicates Z: 26 21.444 2.186 0.645 0.394 1.000 0.440 CB 1.335 26 residues pruned to eliminate duplicates Z: 25 19.741 2.202 0.654 0.372 0.833 0.625 CB 1.522 25 residues pruned to eliminate duplicates Z: 74 54.085 2.205 0.851 0.586 0.932 0.548 CB 1.534 74 residues pruned to eliminate duplicates Z: 34 22.716 2.055 0.704 0.372 0.879 0.515 CB 1.474 34 residues pruned to eliminate duplicates Z: 31 27.419 2.167 0.751 0.433 0.900 0.600 CB 1.571 32 residues pruned to eliminate duplicates Z: 6 4.086 1.492 0.667 0.319 0.800 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 85 50.273 2.121 0.777 0.548 0.940 0.500 CB 1.477 85 residues pruned to eliminate duplicates Z: 29 18.640 2.106 0.583 0.316 0.893 0.464 CB 1.450 29 residues pruned to eliminate duplicates Z: 85 52.008 2.135 0.727 0.540 0.964 0.536 CB 1.536 85 residues pruned to eliminate duplicates Z: 26 23.152 2.126 0.805 0.421 0.920 0.560 CB 1.424 26 residues pruned to eliminate duplicates Z: 83 50.098 2.140 0.803 0.554 0.902 0.488 CB 1.507 83 residues pruned to eliminate duplicates Z: 27 17.390 2.013 0.553 0.368 0.885 0.500 CB 1.422 27 residues pruned to eliminate duplicates Z: 21 19.031 2.114 0.588 0.464 0.900 0.450 CB 1.460 21 residues pruned to eliminate duplicates Z: 32 23.458 2.124 0.704 0.393 0.871 0.484 CB 1.496 32 residues pruned to eliminate duplicates Z: 21 20.169 2.048 0.606 0.439 0.950 0.500 CB 1.538 21 residues pruned to eliminate duplicates Z: 83 48.085 2.161 0.746 0.543 0.902 0.585 CB 1.494 83 residues pruned to eliminate duplicates Z: 9 7.796 1.808 0.649 0.301 0.750 0.500 CB 1.538 9 residues pruned to eliminate duplicates Z: 8 6.045 1.802 0.299 0.256 0.857 0.286 CB 1.507 5 residues pruned to eliminate duplicates Z: 9 16.387 1.951 0.702 0.789 1.000 0.500 CA 1.354 9 residues pruned to eliminate duplicates Z: 13 5.186 1.581 0.593 0.171 0.667 0.417 CB 1.330 13 residues pruned to eliminate duplicates Z: 10 6.796 1.753 0.634 0.413 0.778 0.333 CB 1.113 10 residues pruned to eliminate duplicates Z: 6 2.580 1.484 0.359 0.274 0.600 0.400 CB 1.233 4 residues pruned to eliminate duplicates Z: 6 5.667 1.814 0.551 0.473 0.800 0.200 CA 1.157 6 residues pruned to eliminate duplicates Z: 19 14.752 1.875 0.718 0.386 0.889 0.389 CA 1.370 19 residues pruned to eliminate duplicates Z: 14 10.474 1.880 0.371 0.407 0.846 0.538 CA 1.468 14 residues pruned to eliminate duplicates Z: 18 12.229 1.844 0.549 0.424 0.824 0.588 CB 1.365 18 residues pruned to eliminate duplicates Z: 14 14.079 1.857 0.347 0.546 1.000 0.538 CA 1.493 14 residues pruned to eliminate duplicates Z: 30 17.984 1.868 0.559 0.481 0.828 0.552 CA 1.413 32 residues pruned to eliminate duplicates Z: 7 3.078 1.567 0.735 0.218 0.833 0.167 CA 0.772 7 residues pruned to eliminate duplicates Z: 7 2.042 1.604 0.411 0.399 0.500 0.500 CA 0.819 7 residues pruned to eliminate duplicates Z: 15 8.554 1.859 0.396 0.490 0.714 0.571 CA 1.246 15 residues pruned to eliminate duplicates Z: 14 10.198 1.925 0.345 0.509 0.846 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 30 16.951 1.872 0.429 0.474 0.897 0.586 CA 1.348 30 residues pruned to eliminate duplicates Z: 30 16.466 1.880 0.370 0.459 0.897 0.621 CA 1.380 30 residues pruned to eliminate duplicates Z: 9 10.122 1.929 0.507 0.592 0.875 0.625 CA 1.289 9 residues pruned to eliminate duplicates Z: 14 7.716 1.805 0.386 0.500 0.846 0.538 CA 1.011 14 residues pruned to eliminate duplicates Z: 15 7.760 1.768 0.178 0.396 0.786 0.571 CA 1.414 15 residues pruned to eliminate duplicates Z: 14 9.173 1.801 0.359 0.452 0.769 0.615 CA 1.419 14 residues pruned to eliminate duplicates Z: 16 10.457 1.829 0.410 0.447 0.867 0.533 CA 1.276 16 residues pruned to eliminate duplicates Z: 18 9.797 1.825 0.325 0.432 0.765 0.529 CA 1.380 18 residues pruned to eliminate duplicates Z: 13 9.236 1.902 0.408 0.478 0.750 0.500 CA 1.357 13 residues pruned to eliminate duplicates Z: 34 17.380 1.827 0.384 0.471 0.879 0.545 CA 1.402 33 residues pruned to eliminate duplicates Z: 6 3.392 1.570 0.656 0.259 0.800 0.600 CA 0.961 6 residues pruned to eliminate duplicates Z: 10 6.215 1.970 0.200 0.268 0.889 0.444 CA 1.283 10 residues pruned to eliminate duplicates Z: 9 10.840 2.163 0.513 0.377 0.875 0.750 CA 1.527 9 residues pruned to eliminate duplicates Z: 6 3.293 1.532 0.205 0.346 1.000 0.800 CA 0.943 6 residues pruned to eliminate duplicates Z: 26 13.153 1.955 0.531 0.294 0.760 0.520 CA 1.457 43 residues pruned to eliminate duplicates Z: 13 9.494 1.738 0.472 0.392 0.917 0.417 CB 1.311 Z: 6 2.502 1.407 0.703 0.316 0.800 0.200 N 0.715 Z: 17 21.186 2.057 0.507 0.832 1.000 0.500 CB 1.283 17 residues pruned to eliminate duplicates Z: 33 24.244 1.940 0.549 0.628 0.906 0.594 CB 1.395 33 residues pruned to eliminate duplicates Z: 65 37.592 2.010 0.667 0.580 0.891 0.562 CB 1.458 65 residues pruned to eliminate duplicates Z: 44 26.963 1.908 0.612 0.655 0.860 0.512 CB 1.346 43 residues pruned to eliminate duplicates Z: 21 26.972 2.003 0.422 0.916 1.000 0.600 CB 1.495 21 residues pruned to eliminate duplicates Z: 28 22.259 1.961 0.700 0.589 0.852 0.481 CB 1.386 28 residues pruned to eliminate duplicates Z: 39 29.758 2.068 0.667 0.572 0.921 0.579 CB 1.418 39 residues pruned to eliminate duplicates Z: 35 22.097 1.970 0.469 0.612 0.882 0.529 CB 1.335 35 residues pruned to eliminate duplicates Z: 25 26.244 2.007 0.686 0.710 0.958 0.583 CB 1.365 25 residues pruned to eliminate duplicates Z: 36 27.406 1.969 0.673 0.621 0.943 0.486 CB 1.330 36 residues pruned to eliminate duplicates Z: 36 24.946 1.981 0.545 0.602 0.914 0.400 CB 1.368 36 residues pruned to eliminate duplicates Z: 46 33.839 2.062 0.841 0.554 0.867 0.578 CB 1.455 46 residues pruned to eliminate duplicates Z: 65 34.877 1.966 0.677 0.559 0.906 0.578 CB 1.378 65 residues pruned to eliminate duplicates Z: 64 33.368 1.989 0.599 0.566 0.968 0.651 CB 1.280 33 residues pruned to eliminate duplicates Z: 14 15.605 1.820 0.549 0.865 0.923 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 62 34.972 1.993 0.641 0.578 0.902 0.525 CB 1.409 62 residues pruned to eliminate duplicates Z: 37 23.950 1.942 0.666 0.620 0.861 0.472 CB 1.279 37 residues pruned to eliminate duplicates Z: 49 27.750 1.893 0.608 0.658 0.896 0.604 CB 1.269 33 residues pruned to eliminate duplicates Z: 19 25.896 2.068 0.696 0.916 0.889 0.556 CB 1.383 19 residues pruned to eliminate duplicates Z: 62 30.526 1.966 0.550 0.506 0.934 0.574 CA 1.365 62 residues pruned to eliminate duplicates Z: 7 3.636 1.687 0.046 0.235 0.833 0.333 C 1.374 7 residues pruned to eliminate duplicates Z: 6 3.450 1.635 0.733 0.100 0.800 0.400 O 1.134 6 residues pruned to eliminate duplicates Z: 45 31.083 1.947 0.780 0.722 0.932 0.477 CB 1.187 45 residues pruned to eliminate duplicates Z: 27 19.292 1.879 0.680 0.637 0.885 0.385 CB 1.193 27 residues pruned to eliminate duplicates Z: 56 32.765 1.908 0.778 0.605 0.891 0.455 CB 1.322 56 residues pruned to eliminate duplicates Z: 18 17.343 1.723 0.702 0.633 0.941 0.412 CA 1.345 18 residues pruned to eliminate duplicates Z: 17 15.923 1.780 0.551 0.653 0.938 0.438 CB 1.335 17 residues pruned to eliminate duplicates Z: 25 14.005 1.802 0.469 0.598 0.833 0.417 CB 1.180 25 residues pruned to eliminate duplicates Z: 48 29.454 2.054 0.603 0.496 0.915 0.553 CB 1.431 48 residues pruned to eliminate duplicates Z: 28 16.031 1.885 0.459 0.510 0.889 0.444 CB 1.249 28 residues pruned to eliminate duplicates Z: 56 25.527 1.952 0.556 0.458 0.836 0.436 CB 1.414 56 residues pruned to eliminate duplicates Z: 31 24.036 1.986 0.594 0.555 0.933 0.633 CA 1.409 31 residues pruned to eliminate duplicates Z: 31 24.456 1.960 0.734 0.499 0.967 0.500 CA 1.360 31 residues pruned to eliminate duplicates Z: 63 35.599 2.005 0.568 0.562 0.952 0.661 CA 1.422 63 residues pruned to eliminate duplicates Z: 19 16.776 1.911 0.397 0.685 1.000 0.611 CB 1.250 19 residues pruned to eliminate duplicates Z: 64 36.947 2.000 0.568 0.583 0.952 0.667 CA 1.439 64 residues pruned to eliminate duplicates Z: 22 14.836 1.843 0.427 0.608 0.905 0.524 CB 1.228 22 residues pruned to eliminate duplicates Z: 64 32.706 2.014 0.564 0.564 0.889 0.556 CB 1.383 64 residues pruned to eliminate duplicates Z: 22 17.840 1.855 0.567 0.537 0.905 0.571 CA 1.427 22 residues pruned to eliminate duplicates Z: 64 38.892 2.011 0.586 0.570 0.952 0.619 CB 1.508 64 residues pruned to eliminate duplicates Z: 63 36.280 2.014 0.591 0.567 0.919 0.629 CA 1.465 34 residues pruned to eliminate duplicates Z: 6 3.687 1.915 0.326 0.306 1.000 0.600 CA 0.806 6 residues pruned to eliminate duplicates Z: 30 24.372 2.019 0.669 0.514 0.897 0.552 CA 1.478 30 residues pruned to eliminate duplicates Z: 38 26.166 2.018 0.690 0.522 0.892 0.622 CA 1.384 38 residues pruned to eliminate duplicates Z: 52 33.698 2.068 0.561 0.546 0.902 0.608 CA 1.549 52 residues pruned to eliminate duplicates Z: 23 21.009 2.084 0.633 0.465 0.909 0.591 CA 1.501 23 residues pruned to eliminate duplicates Z: 21 19.639 2.146 0.740 0.430 0.850 0.600 CA 1.489 21 residues pruned to eliminate duplicates Z: 55 30.866 2.014 0.586 0.499 0.944 0.519 CB 1.393 55 residues pruned to eliminate duplicates Z: 42 26.868 1.982 0.667 0.501 0.878 0.634 CB 1.446 42 residues pruned to eliminate duplicates Z: 26 10.460 1.906 0.251 0.351 0.840 0.480 CB 1.227 26 residues pruned to eliminate duplicates Z: 31 13.899 1.872 0.338 0.478 0.933 0.633 CB 1.111 31 residues pruned to eliminate duplicates Z: 29 13.757 1.908 0.332 0.420 1.000 0.607 CB 1.111 29 residues pruned to eliminate duplicates Z: 30 13.483 1.914 0.302 0.443 0.966 0.586 CB 1.103 36 residues pruned to eliminate duplicates Z: 6 3.344 1.505 0.591 0.290 0.800 0.600 CB 0.988 6 residues pruned to eliminate duplicates Z: 14 6.709 1.816 0.273 0.333 0.923 0.538 CB 1.047 14 residues pruned to eliminate duplicates Z: 30 14.977 1.895 0.430 0.449 0.966 0.724 CB 1.121 30 residues pruned to eliminate duplicates Z: 29 15.787 1.918 0.459 0.431 0.964 0.607 CB 1.187 30 residues pruned to eliminate duplicates Z: 6 2.960 1.605 0.251 0.410 0.800 0.600 CA 0.906 6 residues pruned to eliminate duplicates Z: 29 12.858 1.891 0.379 0.386 0.893 0.571 CB 1.177 29 residues pruned to eliminate duplicates Z: 30 13.588 1.906 0.334 0.427 0.931 0.483 CB 1.150 30 residues pruned to eliminate duplicates Z: 29 13.296 1.916 0.389 0.387 0.893 0.464 CB 1.193 29 residues pruned to eliminate duplicates Z: 28 13.584 1.881 0.423 0.422 0.889 0.556 CB 1.192 28 residues pruned to eliminate duplicates Z: 30 15.363 1.904 0.305 0.439 1.000 0.552 CB 1.223 29 residues pruned to eliminate duplicates Z: 6 3.135 1.738 0.436 0.312 0.600 0.200 CA 1.153 6 residues pruned to eliminate duplicates Z: 29 13.886 1.913 0.406 0.412 0.893 0.607 CB 1.199 29 residues pruned to eliminate duplicates Z: 29 12.972 1.869 0.304 0.426 0.929 0.607 CB 1.169 29 residues pruned to eliminate duplicates Z: 29 14.933 1.923 0.381 0.431 0.929 0.571 CB 1.230 29 residues pruned to eliminate duplicates Z: 28 13.490 1.870 0.440 0.401 0.889 0.593 CB 1.203 28 residues pruned to eliminate duplicates Z: 31 12.856 1.874 0.310 0.415 0.933 0.600 CB 1.120 31 residues pruned to eliminate duplicates Z: 29 13.794 1.895 0.368 0.435 0.929 0.679 CB 1.158 29 residues pruned to eliminate duplicates Z: 29 14.323 1.910 0.423 0.429 0.964 0.643 CB 1.112 29 residues pruned to eliminate duplicates Z: 30 15.460 1.925 0.397 0.455 0.966 0.724 CB 1.158 30 residues pruned to eliminate duplicates Z: 14 7.352 1.692 0.534 0.484 0.769 0.615 CB 1.038 14 residues pruned to eliminate duplicates Z: 21 12.710 1.878 0.360 0.484 0.950 0.650 CB 1.191 21 residues pruned to eliminate duplicates Z: 50 18.737 1.896 0.334 0.396 0.939 0.592 CB 1.259 50 residues pruned to eliminate duplicates Z: 15 9.082 1.966 0.052 0.466 0.857 0.571 CA 1.418 15 residues pruned to eliminate duplicates Z: 17 11.390 1.933 0.093 0.379 1.000 0.438 CA 1.534 17 residues pruned to eliminate duplicates Z: 9 5.801 1.420 0.525 0.575 0.750 0.375 CB 1.175 9 residues pruned to eliminate duplicates Z: 18 10.950 1.901 0.122 0.448 0.941 0.588 CB 1.396 18 residues pruned to eliminate duplicates Z: 15 11.305 1.989 0.132 0.484 0.929 0.643 CA 1.469 15 residues pruned to eliminate duplicates Z: 14 9.783 1.988 0.122 0.460 0.923 0.538 CA 1.373 14 residues pruned to eliminate duplicates Z: 15 11.057 1.956 0.206 0.491 0.857 0.786 CA 1.475 15 residues pruned to eliminate duplicates Z: 31 15.868 1.885 0.338 0.461 0.867 0.633 CA 1.379 48 residues pruned to eliminate duplicates Z: 20 11.214 1.869 0.226 0.357 0.895 0.474 CA 1.464 Z: 6 5.015 1.739 0.356 0.378 0.800 0.200 CA 1.354 6 residues pruned to eliminate duplicates Z: 18 12.870 1.902 0.327 0.400 0.941 0.529 CA 1.460 21 residues pruned to eliminate duplicates Z: 8 3.554 1.229 0.222 0.533 0.857 0.571 CB 1.010 8 residues pruned to eliminate duplicates Z: 18 12.771 1.934 0.232 0.423 0.941 0.529 CA 1.497 18 residues pruned to eliminate duplicates Z: 18 12.165 1.911 0.350 0.428 0.882 0.529 CA 1.396 18 residues pruned to eliminate duplicates 6 0.760 1.700 -0.066 0.109 0.600 0.200 CB 0.586 ? Z: 10 10.256 1.929 0.531 0.518 0.889 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 10 9.751 1.948 0.652 0.615 0.889 0.667 CB 1.018 Z: 9 9.825 1.927 0.317 0.737 0.875 0.625 CB 1.265 19 residues pruned to eliminate duplicates Z: 19 11.886 1.805 0.691 0.515 0.722 0.500 CA 1.252 19 residues pruned to eliminate duplicates Z: 11 9.754 1.864 0.578 0.541 0.900 0.700 CB 1.120 11 residues pruned to eliminate duplicates Z: 11 7.438 1.738 0.766 0.458 0.900 0.700 CB 0.889 9 residues pruned to eliminate duplicates Z: 8 5.135 1.345 0.419 0.529 1.000 0.571 CB 0.988 6 1.559 1.510 0.454 0.295 0.600 0.400 CB 0.665 ? Z: 7 7.129 1.746 0.688 0.392 0.833 0.500 CB 1.328 7 residues pruned to eliminate duplicates Z: 12 17.913 2.067 0.695 0.512 1.000 0.636 CA 1.522 13 residues pruned to eliminate duplicates Z: 6 7.820 1.831 0.675 0.423 1.000 0.400 CA 1.235 6 residues pruned to eliminate duplicates Z: 14 14.505 1.907 0.500 0.567 0.846 0.615 CA 1.557 14 residues pruned to eliminate duplicates Z: 26 16.374 2.008 0.205 0.488 0.960 0.600 CA 1.427 26 residues pruned to eliminate duplicates Z: 42 20.543 1.957 0.370 0.430 0.927 0.610 CB 1.388 42 residues pruned to eliminate duplicates Z: 19 12.021 1.924 0.313 0.345 0.944 0.444 CA 1.405 19 residues pruned to eliminate duplicates Z: 14 15.123 2.027 0.466 0.418 0.923 0.462 CB 1.666 14 residues pruned to eliminate duplicates Z: 23 19.991 2.033 0.402 0.526 1.000 0.636 CA 1.457 23 residues pruned to eliminate duplicates Z: 6 6.110 2.010 0.155 0.442 0.800 0.400 CB 1.562 6 residues pruned to eliminate duplicates Z: 9 5.036 1.798 0.037 0.379 0.875 0.375 CB 1.241 9 residues pruned to eliminate duplicates Z: 25 12.116 1.933 0.366 0.346 0.833 0.458 CB 1.330 25 residues pruned to eliminate duplicates Z: 16 12.805 1.882 0.548 0.375 0.867 0.667 CB 1.497 16 residues pruned to eliminate duplicates Z: 18 12.796 1.916 0.329 0.412 0.882 0.529 CA 1.514 18 residues pruned to eliminate duplicates Z: 23 14.435 1.767 0.546 0.398 0.909 0.545 CB 1.379 23 residues pruned to eliminate duplicates Z: 16 10.859 1.835 0.383 0.375 0.867 0.533 CB 1.457 16 residues pruned to eliminate duplicates Z: 42 20.025 1.904 0.413 0.371 0.902 0.488 CA 1.479 42 residues pruned to eliminate duplicates Z: 25 14.544 1.884 0.501 0.414 0.917 0.583 CB 1.254 25 residues pruned to eliminate duplicates Z: 20 12.697 1.913 0.530 0.334 0.895 0.526 CB 1.333 20 residues pruned to eliminate duplicates Z: 30 17.550 1.972 0.475 0.414 0.897 0.690 CA 1.367 30 residues pruned to eliminate duplicates Z: 17 9.982 1.913 0.301 0.319 0.875 0.438 CB 1.399 17 residues pruned to eliminate duplicates Z: 53 21.297 1.954 0.438 0.363 0.865 0.462 CB 1.407 53 residues pruned to eliminate duplicates Z: 25 11.132 1.952 0.141 0.350 0.875 0.375 CB 1.371 25 residues pruned to eliminate duplicates Z: 27 12.636 1.868 0.391 0.337 0.923 0.423 CB 1.234 27 residues pruned to eliminate duplicates Z: 19 10.986 1.941 0.361 0.286 0.833 0.556 CA 1.497 19 residues pruned to eliminate duplicates Z: 30 9.755 1.837 0.338 0.283 0.759 0.379 CB 1.240 30 residues pruned to eliminate duplicates Z: 22 8.089 1.871 0.526 0.219 0.667 0.381 CB 1.290 22 residues pruned to eliminate duplicates Z: 53 19.788 1.903 0.454 0.337 0.904 0.442 CB 1.310 53 residues pruned to eliminate duplicates Z: 100 41.071 2.045 0.579 0.488 0.919 0.606 CB 1.407 100 residues pruned to eliminate duplicates Z: 27 13.054 1.907 0.409 0.314 0.846 0.462 CB 1.383 27 residues pruned to eliminate duplicates Z: 34 12.676 1.843 0.439 0.276 0.788 0.394 CA 1.361 34 residues pruned to eliminate duplicates Z: 8 3.345 1.544 0.080 0.260 0.857 0.429 CA 1.164 8 residues pruned to eliminate duplicates Z: 17 9.037 1.947 0.220 0.301 0.812 0.375 CB 1.462 17 residues pruned to eliminate duplicates Z: 18 9.760 1.729 0.552 0.353 0.824 0.529 CA 1.255 18 residues pruned to eliminate duplicates Z: 22 12.159 1.833 0.471 0.307 0.952 0.333 CA 1.279 22 residues pruned to eliminate duplicates Z: 18 11.504 1.862 0.378 0.358 0.882 0.588 CA 1.436 18 residues pruned to eliminate duplicates Z: 22 10.243 1.832 0.376 0.288 0.905 0.476 CB 1.243 22 residues pruned to eliminate duplicates Z: 19 12.382 1.950 0.345 0.364 0.944 0.611 CB 1.364 19 residues pruned to eliminate duplicates Z: 21 10.871 1.797 0.465 0.403 0.850 0.500 CB 1.203 21 residues pruned to eliminate duplicates Z: 17 11.803 1.903 0.283 0.404 1.000 0.625 CB 1.337 17 residues pruned to eliminate duplicates Z: 24 11.330 1.891 0.409 0.284 0.870 0.565 CB 1.300 24 residues pruned to eliminate duplicates Z: 15 8.224 1.850 0.564 0.280 0.786 0.500 N 1.239 15 residues pruned to eliminate duplicates Z: 14 14.692 1.962 0.583 0.465 1.000 0.615 CA 1.360 14 residues pruned to eliminate duplicates Z: 20 12.949 1.884 0.518 0.294 0.895 0.421 CA 1.461 20 residues pruned to eliminate duplicates Z: 15 7.865 1.789 0.328 0.289 1.000 0.571 CA 1.122 15 residues pruned to eliminate duplicates Z: 16 12.961 1.840 0.549 0.391 0.933 0.467 CB 1.413 16 residues pruned to eliminate duplicates Z: 14 9.041 1.874 0.299 0.376 0.923 0.615 CA 1.274 14 residues pruned to eliminate duplicates Z: 12 11.270 1.990 0.536 0.420 1.000 0.455 CA 1.208 12 residues pruned to eliminate duplicates Z: 18 11.328 1.826 0.438 0.408 0.882 0.471 N 1.306 18 residues pruned to eliminate duplicates Z: 17 10.024 1.910 0.380 0.317 0.812 0.375 N 1.433 17 residues pruned to eliminate duplicates Z: 17 10.365 2.010 0.444 0.382 0.750 0.438 CB 1.350 17 residues pruned to eliminate duplicates Z: 39 19.777 2.020 0.495 0.310 0.816 0.395 N 1.608 39 residues pruned to eliminate duplicates Z: 18 11.088 1.992 0.535 0.367 0.765 0.471 CA 1.327 18 residues pruned to eliminate duplicates Z: 15 7.812 1.982 0.567 0.308 0.643 0.357 CB 1.293 15 residues pruned to eliminate duplicates Z: 27 17.783 2.053 0.468 0.382 0.885 0.423 CA 1.484 27 residues pruned to eliminate duplicates Z: 15 8.975 2.072 0.359 0.257 0.786 0.429 CB 1.433 15 residues pruned to eliminate duplicates Z: 14 9.251 2.161 0.324 0.308 0.769 0.385 CB 1.443 14 residues pruned to eliminate duplicates Z: 17 8.490 1.931 0.327 0.320 0.875 0.250 CB 1.154 17 residues pruned to eliminate duplicates Z: 9 9.342 2.017 0.610 0.474 0.875 0.750 CB 1.193 9 residues pruned to eliminate duplicates Z: 21 11.320 2.045 0.522 0.281 0.750 0.400 CB 1.388 21 residues pruned to eliminate duplicates Z: 25 13.458 2.064 0.433 0.312 0.708 0.417 CB 1.615 25 residues pruned to eliminate duplicates Z: 19 10.117 2.003 0.546 0.321 0.778 0.333 CB 1.206 19 residues pruned to eliminate duplicates Z: 22 11.109 2.026 0.408 0.296 0.714 0.381 CB 1.494 22 residues pruned to eliminate duplicates Z: 22 9.515 1.980 0.334 0.280 0.762 0.429 CB 1.323 22 residues pruned to eliminate duplicates Z: 13 8.516 1.965 0.355 0.276 0.750 0.417 N 1.587 13 residues pruned to eliminate duplicates Z: 38 16.795 2.013 0.440 0.308 0.811 0.486 CA 1.454 38 residues pruned to eliminate duplicates Z: 42 21.477 2.025 0.458 0.427 0.780 0.585 CB 1.571 42 residues pruned to eliminate duplicates Z: 18 7.275 1.916 0.249 0.210 0.765 0.294 CB 1.359 18 residues pruned to eliminate duplicates Z: 30 30.242 2.073 0.556 0.593 0.931 0.621 CA 1.712 30 residues pruned to eliminate duplicates Z: 33 26.051 1.991 0.552 0.590 0.875 0.656 CA 1.562 33 residues pruned to eliminate duplicates Z: 45 30.713 2.100 0.554 0.503 0.864 0.659 CB 1.637 45 residues pruned to eliminate duplicates Z: 61 29.165 2.018 0.425 0.480 0.850 0.533 CB 1.572 61 residues pruned to eliminate duplicates Z: 9 8.382 1.912 0.298 0.407 0.875 0.500 N 1.505 9 residues pruned to eliminate duplicates Z: 13 7.519 1.879 0.393 0.271 0.833 0.417 N 1.290 13 residues pruned to eliminate duplicates Z: 33 25.098 2.056 0.437 0.535 0.875 0.531 CA 1.658 33 residues pruned to eliminate duplicates Z: 24 32.141 2.158 0.522 0.686 1.000 0.783 CB 1.721 26 residues pruned to eliminate duplicates Z: 6 3.775 1.666 0.253 0.236 1.000 0.600 C 1.100 6 residues pruned to eliminate duplicates Z: 21 17.359 2.103 0.334 0.652 0.800 0.600 CB 1.501 21 residues pruned to eliminate duplicates Z: 33 23.292 2.026 0.313 0.552 0.906 0.500 CA 1.624 33 residues pruned to eliminate duplicates Z: 24 17.067 1.929 0.601 0.403 0.826 0.391 CB 1.545 24 residues pruned to eliminate duplicates Z: 42 28.622 2.073 0.522 0.484 0.902 0.561 CB 1.595 40 residues pruned to eliminate duplicates Z: 17 18.730 2.174 0.184 0.898 0.875 0.688 CB 1.487 17 residues pruned to eliminate duplicates Z: 22 21.933 2.038 0.533 0.719 0.857 0.667 CB 1.467 22 residues pruned to eliminate duplicates Z: 53 34.490 2.110 0.559 0.478 0.923 0.538 CB 1.611 53 residues pruned to eliminate duplicates Z: 22 22.150 2.115 0.637 0.621 0.857 0.524 CB 1.453 22 residues pruned to eliminate duplicates Z: 26 26.156 2.055 0.562 0.640 0.960 0.640 CB 1.489 26 residues pruned to eliminate duplicates Z: 23 29.906 2.166 0.481 0.708 0.955 0.682 CB 1.724 23 residues pruned to eliminate duplicates Z: 21 29.357 2.097 0.770 0.750 0.950 0.650 CB 1.490 21 residues pruned to eliminate duplicates Z: 39 28.789 2.143 0.570 0.472 0.868 0.474 CB 1.645 39 residues pruned to eliminate duplicates Z: 14 22.552 2.115 0.759 0.862 0.846 0.385 CB 1.459 14 residues pruned to eliminate duplicates Z: 17 26.801 2.123 0.825 0.891 1.000 0.438 CB 1.243 17 residues pruned to eliminate duplicates Z: 28 30.034 1.989 0.628 0.687 0.963 0.519 CB 1.561 28 residues pruned to eliminate duplicates Z: 60 27.987 2.072 0.631 0.365 0.797 0.492 CB 1.564 60 residues pruned to eliminate duplicates Z: 39 29.955 2.028 0.688 0.508 0.947 0.447 CB 1.486 39 residues pruned to eliminate duplicates Z: 40 22.154 2.034 0.557 0.451 0.846 0.385 CB 1.393 40 residues pruned to eliminate duplicates Z: 8 5.818 1.835 0.053 0.462 0.857 0.571 CA 1.380 8 residues pruned to eliminate duplicates Z: 35 23.412 2.013 0.528 0.509 0.853 0.324 CB 1.516 35 residues pruned to eliminate duplicates Z: 28 22.515 2.165 0.567 0.374 0.926 0.593 CB 1.578 28 residues pruned to eliminate duplicates Z: 61 35.053 2.086 0.699 0.460 0.850 0.483 CB 1.566 61 residues pruned to eliminate duplicates Z: 30 20.080 2.131 0.547 0.346 0.828 0.517 CB 1.616 30 residues pruned to eliminate duplicates Z: 21 13.114 2.014 0.477 0.324 0.850 0.600 CA 1.408 21 residues pruned to eliminate duplicates Z: 28 25.064 2.197 0.743 0.402 0.889 0.630 CB 1.571 28 residues pruned to eliminate duplicates Z: 32 22.512 2.055 0.656 0.355 0.903 0.548 CB 1.538 32 residues pruned to eliminate duplicates Z: 31 24.066 2.132 0.626 0.442 0.933 0.633 CB 1.442 31 residues pruned to eliminate duplicates Z: 27 22.104 2.180 0.663 0.340 0.962 0.538 CB 1.480 27 residues pruned to eliminate duplicates Z: 32 24.344 2.078 0.667 0.425 0.903 0.452 CB 1.511 32 residues pruned to eliminate duplicates Z: 29 19.450 2.143 0.539 0.291 0.893 0.500 CB 1.578 29 residues pruned to eliminate duplicates Z: 31 19.578 2.130 0.425 0.297 0.933 0.500 CB 1.584 31 residues pruned to eliminate duplicates Z: 28 20.380 2.103 0.450 0.426 0.963 0.630 CB 1.441 28 residues pruned to eliminate duplicates Z: 25 21.245 2.150 0.475 0.404 0.958 0.625 CB 1.578 25 residues pruned to eliminate duplicates Z: 26 22.526 2.192 0.524 0.428 0.880 0.680 CB 1.652 26 residues pruned to eliminate duplicates Z: 31 19.434 2.074 0.544 0.344 0.867 0.533 CA 1.515 31 residues pruned to eliminate duplicates Z: 20 16.852 2.202 0.540 0.347 0.842 0.421 CA 1.599 20 residues pruned to eliminate duplicates Z: 32 23.087 2.094 0.617 0.460 0.871 0.581 CB 1.465 32 residues pruned to eliminate duplicates Z: 26 19.833 2.170 0.537 0.353 0.880 0.560 CA 1.584 26 residues pruned to eliminate duplicates Z: 31 20.225 2.068 0.720 0.310 0.800 0.467 CB 1.602 31 residues pruned to eliminate duplicates Z: 29 23.129 2.163 0.484 0.339 0.964 0.536 CB 1.684 29 residues pruned to eliminate duplicates Z: 32 20.229 2.098 0.551 0.376 0.903 0.452 CB 1.412 32 residues pruned to eliminate duplicates Z: 29 22.841 2.107 0.649 0.391 0.929 0.536 CB 1.502 29 residues pruned to eliminate duplicates Z: 31 20.105 2.087 0.447 0.338 0.900 0.600 CB 1.612 31 residues pruned to eliminate duplicates Z: 32 20.903 2.101 0.592 0.358 0.871 0.452 CB 1.501 32 residues pruned to eliminate duplicates Z: 6 2.448 1.600 0.507 0.605 0.600 0.000 CB 0.685 5 residues pruned to eliminate duplicates Z: 9 4.478 1.513 0.393 0.749 0.750 0.375 CB 0.802 9 residues pruned to eliminate duplicates Z: 10 11.599 1.534 0.704 0.798 1.000 0.111 CB 1.140 9 residues pruned to eliminate duplicates 694 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 7 D: 58 E: 12 F: 11 G: 27 H: 105 I: 150 J: 29 K: 10 L: 63 M: 27 N: 17 O: 8 P: 135 Q: 7 R: 10 CC for partial structure against native data = 24.87 % ------------------------------------------------------------------------------ Global autotracing cycle 22 = 0.300, Contrast = 0.384, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.709 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.528, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.537, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.543, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.549, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.552, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.555, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6724 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1273 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 16.008 2.035 0.468 0.525 0.938 0.750 CB 1.394 B: 9 9.772 1.760 0.503 0.519 0.875 0.250 CB 1.464 C: 17 26.658 2.065 0.507 0.872 1.000 0.812 CA 1.560 D: 21 30.850 2.043 0.566 0.928 1.000 0.750 CB 1.510 E: 18 21.404 2.025 0.478 0.874 0.882 0.588 CA 1.431 16 residues pruned to eliminate duplicates F: 7 9.170 1.809 0.419 0.877 0.833 0.667 CB 1.271 G: 21 44.122 2.292 0.813 0.912 1.000 0.600 CB 1.682 H: 27 14.131 1.997 0.299 0.370 0.885 0.577 CB 1.388 I: 13 23.505 2.191 0.564 0.904 1.000 0.917 CB 1.410 13 residues pruned to eliminate duplicates J: 18 22.996 2.073 0.517 0.891 0.941 0.647 CA 1.355 18 residues pruned to eliminate duplicates K: 20 40.272 2.318 0.657 0.905 1.000 0.895 CB 1.712 20 residues pruned to eliminate duplicates L: 18 32.213 2.252 0.491 0.901 1.000 1.000 CA 1.661 18 residues pruned to eliminate duplicates M: 18 23.410 2.095 0.497 0.900 0.941 0.824 CA 1.374 18 residues pruned to eliminate duplicates N: 17 26.999 2.095 0.490 0.905 1.000 0.438 CB 1.539 17 residues pruned to eliminate duplicates O: 21 41.580 2.239 0.750 0.907 1.000 0.900 CB 1.686 21 residues pruned to eliminate duplicates P: 9 9.952 1.841 0.536 0.748 0.875 0.500 CA 1.139 Q: 22 41.813 2.252 0.836 0.854 1.000 0.476 CB 1.630 21 residues pruned to eliminate duplicates R: 22 37.315 2.188 0.606 0.907 1.000 0.857 CB 1.647 22 residues pruned to eliminate duplicates S: 19 29.673 2.216 0.386 0.902 1.000 0.889 CA 1.624 19 residues pruned to eliminate duplicates T: 7 8.887 1.780 0.619 0.757 0.833 0.667 CA 1.202 7 residues pruned to eliminate duplicates U: 28 12.067 1.931 0.434 0.253 0.741 0.370 CB 1.504 V: 7 6.010 1.735 0.203 0.831 0.833 0.500 CB 1.060 7 residues pruned to eliminate duplicates W: 16 22.032 1.901 0.469 0.933 1.000 1.000 CB 1.421 16 residues pruned to eliminate duplicates X: 33 23.664 2.102 0.609 0.440 0.906 0.469 CB 1.453 7 residues pruned to eliminate duplicates Y: 22 40.933 2.221 0.745 0.882 1.000 0.714 CA 1.668 22 residues pruned to eliminate duplicates Z: 16 9.760 2.023 0.156 0.475 0.733 0.533 CA 1.508 16 residues pruned to eliminate duplicates Z: 22 27.644 1.939 0.601 0.900 0.905 0.762 CA 1.534 21 residues pruned to eliminate duplicates Z: 32 27.273 2.143 0.875 0.441 0.839 0.516 CB 1.546 9 residues pruned to eliminate duplicates Z: 79 39.516 2.113 0.617 0.505 0.923 0.513 CB 1.411 53 residues pruned to eliminate duplicates Z: 20 12.423 1.966 0.457 0.500 0.789 0.474 CA 1.261 Z: 21 21.507 2.015 0.278 0.898 1.000 0.950 CA 1.336 22 residues pruned to eliminate duplicates Z: 14 21.367 2.004 0.553 0.868 1.000 0.462 CB 1.392 Z: 20 47.022 2.270 1.047 0.920 1.000 0.632 CB 1.635 20 residues pruned to eliminate duplicates Z: 22 45.255 2.176 1.013 0.909 1.000 0.810 CB 1.599 22 residues pruned to eliminate duplicates Z: 22 35.480 2.169 0.587 0.925 1.000 0.905 CB 1.578 22 residues pruned to eliminate duplicates Z: 11 17.199 1.912 0.560 0.858 1.000 0.600 CA 1.342 11 residues pruned to eliminate duplicates Z: 12 15.006 2.019 0.433 0.795 0.909 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 10 11.235 1.773 0.287 0.823 0.889 0.667 N 1.395 10 residues pruned to eliminate duplicates Z: 18 15.816 1.982 0.143 0.882 1.000 0.765 CB 1.225 Z: 8 16.070 1.871 0.923 0.816 1.000 0.714 CB 1.283 8 residues pruned to eliminate duplicates Z: 21 39.088 2.235 0.686 0.855 1.000 0.700 CB 1.711 21 residues pruned to eliminate duplicates Z: 8 12.963 1.958 0.519 0.667 1.000 0.429 CB 1.411 10 residues pruned to eliminate duplicates Z: 19 27.707 2.133 0.360 0.916 1.000 0.778 CA 1.590 18 residues pruned to eliminate duplicates Z: 10 7.868 1.806 0.179 0.567 0.889 0.556 CB 1.300 Z: 21 22.497 2.006 0.211 0.881 1.000 0.700 CB 1.500 21 residues pruned to eliminate duplicates Z: 27 27.956 2.065 0.572 0.711 0.962 0.731 CA 1.450 19 residues pruned to eliminate duplicates Z: 18 17.835 1.934 0.168 0.860 1.000 0.647 CA 1.409 18 residues pruned to eliminate duplicates Z: 8 7.947 1.684 0.392 0.834 0.857 0.714 CB 1.121 7 residues pruned to eliminate duplicates Z: 8 11.916 1.918 0.210 0.828 1.000 0.571 CB 1.461 8 residues pruned to eliminate duplicates Z: 12 7.242 1.692 0.223 0.342 0.909 0.455 CA 1.379 Z: 20 7.040 1.826 0.440 0.173 0.632 0.263 CA 1.445 20 residues pruned to eliminate duplicates Z: 29 18.767 2.066 0.487 0.389 0.929 0.536 CB 1.399 29 residues pruned to eliminate duplicates Z: 26 13.793 1.934 0.490 0.398 0.840 0.480 CB 1.269 Z: 27 13.220 1.941 0.402 0.440 0.769 0.692 CB 1.317 16 residues pruned to eliminate duplicates Z: 14 6.434 1.825 0.241 0.362 0.769 0.462 CB 1.188 16 residues pruned to eliminate duplicates Z: 74 48.592 2.138 0.810 0.595 0.918 0.521 CB 1.462 74 residues pruned to eliminate duplicates Z: 22 19.820 2.084 0.637 0.508 0.857 0.476 CA 1.467 42 residues pruned to eliminate duplicates Z: 58 34.299 2.064 0.463 0.600 0.930 0.596 CA 1.471 41 residues pruned to eliminate duplicates Z: 27 8.787 1.870 0.223 0.304 0.808 0.577 CB 1.160 Z: 22 37.697 2.222 0.668 0.880 1.000 0.810 CB 1.608 36 residues pruned to eliminate duplicates Z: 8 12.450 1.909 0.354 0.717 1.000 0.714 CB 1.496 8 residues pruned to eliminate duplicates Z: 13 18.741 2.119 0.704 0.851 1.000 0.667 CB 1.109 13 residues pruned to eliminate duplicates Z: 12 17.590 2.067 0.597 0.825 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 24 14.697 1.996 0.402 0.431 0.739 0.391 CA 1.592 Z: 18 17.495 1.838 0.253 0.819 1.000 0.706 CA 1.396 18 residues pruned to eliminate duplicates Z: 17 20.793 2.033 0.527 0.868 0.875 0.625 CA 1.398 17 residues pruned to eliminate duplicates Z: 79 37.097 2.066 0.563 0.521 0.859 0.423 CA 1.483 80 residues pruned to eliminate duplicates Z: 23 9.611 1.906 0.299 0.317 0.773 0.364 CB 1.311 23 residues pruned to eliminate duplicates Z: 28 16.855 2.001 0.504 0.383 0.926 0.519 CA 1.318 28 residues pruned to eliminate duplicates Z: 20 11.024 1.786 0.429 0.358 0.895 0.474 CB 1.290 18 residues pruned to eliminate duplicates Z: 9 9.921 1.844 0.343 0.837 0.875 0.875 CB 1.210 9 residues pruned to eliminate duplicates Z: 17 24.157 1.817 0.713 0.831 1.000 0.750 CB 1.458 17 residues pruned to eliminate duplicates Z: 42 21.298 1.968 0.360 0.447 0.951 0.659 CB 1.379 Z: 15 10.242 2.128 0.262 0.392 0.786 0.643 CA 1.454 15 residues pruned to eliminate duplicates Z: 11 7.934 1.583 0.717 0.432 0.800 0.400 CA 1.238 12 residues pruned to eliminate duplicates Z: 9 11.415 2.102 0.268 0.856 0.875 0.750 CB 1.276 9 residues pruned to eliminate duplicates Z: 21 37.491 2.291 0.613 0.912 1.000 0.600 CB 1.606 21 residues pruned to eliminate duplicates Z: 18 12.119 1.931 0.403 0.418 0.882 0.706 CB 1.339 4 residues pruned to eliminate duplicates Z: 22 12.327 2.044 0.365 0.410 0.714 0.476 CA 1.484 22 residues pruned to eliminate duplicates Z: 58 33.116 2.048 0.461 0.569 0.912 0.614 CB 1.503 58 residues pruned to eliminate duplicates Z: 21 22.894 1.977 0.382 0.869 0.950 0.750 CB 1.441 21 residues pruned to eliminate duplicates Z: 10 11.375 1.782 0.676 0.721 0.889 0.889 CB 1.170 9 residues pruned to eliminate duplicates Z: 7 9.605 1.693 0.400 0.903 1.000 1.000 CB 1.179 7 residues pruned to eliminate duplicates Z: 48 29.986 2.076 0.517 0.513 0.915 0.553 CB 1.498 47 residues pruned to eliminate duplicates Z: 6 7.671 1.661 0.603 0.800 1.000 0.600 CB 0.991 Z: 47 30.517 2.114 0.663 0.474 0.935 0.413 CB 1.406 47 residues pruned to eliminate duplicates Z: 47 33.202 2.077 0.443 0.665 0.935 0.630 CB 1.499 47 residues pruned to eliminate duplicates Z: 68 38.907 1.964 0.645 0.606 0.955 0.582 CB 1.392 22 residues pruned to eliminate duplicates Z: 14 6.057 1.894 0.222 0.399 0.692 0.462 CB 1.166 Z: 22 42.917 2.193 1.016 0.889 0.952 0.905 CA 1.601 22 residues pruned to eliminate duplicates Z: 15 17.565 2.048 0.208 0.856 1.000 0.929 CA 1.400 15 residues pruned to eliminate duplicates Z: 61 37.339 2.004 0.645 0.540 0.933 0.567 CB 1.507 37 residues pruned to eliminate duplicates Z: 13 9.432 1.841 0.483 0.388 0.833 0.667 CA 1.347 13 residues pruned to eliminate duplicates Z: 11 15.404 2.095 0.621 0.877 1.000 0.700 CB 1.041 11 residues pruned to eliminate duplicates Z: 13 13.326 2.035 0.581 0.610 0.917 0.667 CB 1.175 13 residues pruned to eliminate duplicates Z: 15 12.083 1.910 0.380 0.468 0.929 0.643 CA 1.364 11 residues pruned to eliminate duplicates Z: 52 30.841 1.996 0.559 0.629 0.941 0.549 CB 1.306 52 residues pruned to eliminate duplicates Z: 22 12.471 1.769 0.642 0.437 0.857 0.524 CB 1.167 18 residues pruned to eliminate duplicates 8 1.853 1.645 0.369 0.298 0.571 0.429 CB 0.682 ? Z: 44 28.521 2.097 0.549 0.503 0.884 0.581 CB 1.511 44 residues pruned to eliminate duplicates Z: 15 21.752 1.954 0.434 0.880 1.000 0.571 CB 1.504 15 residues pruned to eliminate duplicates Z: 15 16.520 1.936 0.331 0.815 0.929 0.643 CA 1.403 15 residues pruned to eliminate duplicates Z: 7 16.331 2.113 0.461 0.840 1.000 0.667 CB 1.611 7 residues pruned to eliminate duplicates Z: 22 13.410 1.952 0.337 0.468 0.905 0.762 CB 1.281 18 residues pruned to eliminate duplicates Z: 10 7.591 1.895 0.312 0.563 1.000 0.556 CB 0.957 Z: 7 7.817 1.984 -0.038 0.648 1.000 0.500 CB 1.457 5 residues pruned to eliminate duplicates Z: 10 12.152 2.073 0.148 0.904 1.000 0.889 CA 1.213 10 residues pruned to eliminate duplicates Z: 54 35.410 2.029 0.572 0.604 0.887 0.642 CB 1.558 54 residues pruned to eliminate duplicates Z: 10 8.820 2.012 0.350 0.545 0.778 0.667 CA 1.331 10 residues pruned to eliminate duplicates Z: 9 9.540 1.880 0.528 0.488 0.875 0.500 CA 1.358 9 residues pruned to eliminate duplicates Z: 14 8.559 1.916 0.417 0.376 0.846 0.615 CB 1.180 14 residues pruned to eliminate duplicates Z: 52 26.205 1.975 0.451 0.475 0.941 0.627 CB 1.395 52 residues pruned to eliminate duplicates Z: 49 28.817 2.036 0.664 0.500 0.875 0.479 CB 1.403 49 residues pruned to eliminate duplicates Z: 21 40.201 2.220 0.972 0.920 0.950 0.450 CB 1.521 21 residues pruned to eliminate duplicates Z: 8 3.984 1.624 0.394 0.321 0.714 0.286 N 1.135 6 residues pruned to eliminate duplicates Z: 81 43.754 2.142 0.739 0.507 0.863 0.475 CB 1.513 81 residues pruned to eliminate duplicates Z: 21 24.762 1.873 0.604 0.845 0.950 0.800 CB 1.443 21 residues pruned to eliminate duplicates Z: 24 23.250 1.965 0.595 0.614 0.957 0.609 CB 1.451 23 residues pruned to eliminate duplicates Z: 24 17.655 2.010 0.510 0.433 0.913 0.478 CB 1.425 24 residues pruned to eliminate duplicates Z: 16 9.902 1.837 0.228 0.412 0.933 0.533 CB 1.332 10 residues pruned to eliminate duplicates Z: 75 31.547 2.042 0.475 0.451 0.865 0.554 CB 1.480 75 residues pruned to eliminate duplicates Z: 11 9.147 1.842 0.487 0.397 0.900 0.600 CB 1.308 Z: 11 7.475 1.832 0.606 0.814 0.800 0.400 CB 0.764 11 residues pruned to eliminate duplicates Z: 6 3.325 1.942 0.234 0.388 0.600 0.600 CA 1.164 6 residues pruned to eliminate duplicates Z: 19 33.178 2.123 0.714 0.927 1.000 0.556 CB 1.507 19 residues pruned to eliminate duplicates Z: 15 11.784 1.976 0.332 0.846 0.929 0.571 CB 0.957 15 residues pruned to eliminate duplicates Z: 17 8.810 1.876 0.294 0.499 0.938 0.688 CB 0.968 17 residues pruned to eliminate duplicates Z: 8 12.678 1.809 0.286 0.871 1.000 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 26 13.881 2.035 0.282 0.409 0.840 0.600 CA 1.394 26 residues pruned to eliminate duplicates Z: 20 34.207 2.125 0.767 0.917 1.000 0.526 CB 1.475 20 residues pruned to eliminate duplicates Z: 21 13.942 2.092 0.608 0.301 0.750 0.500 CB 1.543 21 residues pruned to eliminate duplicates Z: 8 4.431 1.790 0.848 0.265 0.571 0.286 CB 1.157 8 residues pruned to eliminate duplicates Z: 22 32.232 2.002 0.571 0.899 1.000 0.762 CA 1.599 14 residues pruned to eliminate duplicates Z: 24 12.711 2.068 0.344 0.314 0.739 0.391 CB 1.586 24 residues pruned to eliminate duplicates Z: 40 16.565 1.937 0.350 0.439 0.744 0.359 CB 1.452 40 residues pruned to eliminate duplicates Z: 44 33.194 2.063 0.675 0.636 0.907 0.605 CB 1.422 44 residues pruned to eliminate duplicates Z: 25 20.024 2.050 0.494 0.540 0.958 0.583 CA 1.338 26 residues pruned to eliminate duplicates Z: 16 6.305 1.489 0.506 0.389 0.800 0.467 CB 1.021 16 residues pruned to eliminate duplicates Z: 17 8.734 1.836 0.235 0.300 0.875 0.438 CB 1.375 11 residues pruned to eliminate duplicates Z: 30 15.303 1.936 0.259 0.430 0.897 0.690 CA 1.398 26 residues pruned to eliminate duplicates Z: 12 16.402 1.737 0.848 0.842 0.909 0.545 CB 1.263 12 residues pruned to eliminate duplicates Z: 13 11.784 1.891 0.526 0.508 0.833 0.583 CA 1.404 Z: 27 23.243 2.033 0.416 0.639 1.000 0.769 CA 1.391 27 residues pruned to eliminate duplicates Z: 50 37.785 2.157 0.605 0.645 0.959 0.490 CB 1.420 50 residues pruned to eliminate duplicates Z: 13 8.038 1.811 0.355 0.320 0.833 0.417 CB 1.383 13 residues pruned to eliminate duplicates Z: 29 18.713 1.954 0.539 0.444 0.893 0.607 CA 1.395 11 residues pruned to eliminate duplicates Z: 8 8.584 1.903 0.297 0.549 1.000 0.571 CA 1.253 8 residues pruned to eliminate duplicates Z: 9 9.896 1.711 0.266 0.569 1.000 0.500 N 1.511 Z: 29 14.040 1.997 0.261 0.424 0.893 0.536 CB 1.276 29 residues pruned to eliminate duplicates Z: 7 5.198 1.655 0.133 0.608 1.000 0.833 CB 1.022 Z: 60 26.343 2.048 0.447 0.442 0.831 0.525 CB 1.479 60 residues pruned to eliminate duplicates Z: 57 30.095 2.043 0.422 0.543 0.911 0.589 CA 1.459 57 residues pruned to eliminate duplicates Z: 8 8.403 1.775 0.362 0.583 1.000 0.429 CA 1.213 Z: 20 19.165 1.768 0.437 0.832 1.000 0.579 CB 1.299 20 residues pruned to eliminate duplicates Z: 52 27.752 2.006 0.573 0.419 0.902 0.569 CB 1.486 52 residues pruned to eliminate duplicates Z: 8 13.431 2.020 0.710 0.410 1.000 0.714 CA 1.615 Z: 11 13.225 1.736 0.564 0.908 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 13 13.099 1.923 0.316 0.537 1.000 0.833 CA 1.441 8 residues pruned to eliminate duplicates Z: 15 19.834 2.111 0.225 0.906 1.000 0.929 CA 1.458 15 residues pruned to eliminate duplicates Z: 22 42.093 2.157 0.843 0.913 1.000 0.810 CB 1.635 22 residues pruned to eliminate duplicates Z: 10 12.940 2.143 0.114 0.832 1.000 0.556 CB 1.357 10 residues pruned to eliminate duplicates Z: 7 7.687 1.728 0.510 0.610 1.000 0.667 CB 1.084 9 residues pruned to eliminate duplicates Z: 17 16.330 1.891 0.480 0.616 1.000 0.688 CB 1.308 15 residues pruned to eliminate duplicates Z: 8 5.839 1.620 0.160 0.614 1.000 0.571 C 1.053 8 residues pruned to eliminate duplicates Z: 8 14.417 2.124 0.494 0.685 0.857 0.714 CB 1.690 8 residues pruned to eliminate duplicates Z: 11 8.741 1.770 0.176 0.519 0.900 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 9 7.679 1.711 0.541 0.424 0.750 0.625 C 1.486 9 residues pruned to eliminate duplicates Z: 7 4.023 1.704 0.112 0.340 0.833 0.500 N 1.238 7 residues pruned to eliminate duplicates Z: 21 34.592 2.170 0.567 0.915 1.000 0.900 CB 1.608 21 residues pruned to eliminate duplicates Z: 25 17.288 1.967 0.411 0.508 0.958 0.625 CA 1.316 10 residues pruned to eliminate duplicates Z: 8 6.197 1.619 1.046 0.352 0.714 0.429 CA 1.162 Z: 9 7.189 1.895 0.500 0.335 0.875 0.625 CA 1.223 9 residues pruned to eliminate duplicates Z: 79 47.582 2.150 0.680 0.582 0.910 0.718 CB 1.513 77 residues pruned to eliminate duplicates Z: 33 19.132 2.069 0.591 0.357 0.844 0.469 CB 1.421 33 residues pruned to eliminate duplicates Z: 21 25.215 1.967 0.366 0.900 1.000 0.800 CA 1.499 Z: 11 13.020 1.779 0.272 0.882 1.000 0.900 CA 1.317 11 residues pruned to eliminate duplicates Z: 8 6.573 1.558 0.295 0.903 1.000 0.857 CA 0.878 8 residues pruned to eliminate duplicates Z: 19 27.058 2.014 0.665 0.928 1.000 0.778 CA 1.331 19 residues pruned to eliminate duplicates Z: 17 44.761 2.347 0.852 0.917 1.000 0.750 CB 1.818 17 residues pruned to eliminate duplicates Z: 41 19.837 1.945 0.404 0.388 0.925 0.525 CA 1.399 41 residues pruned to eliminate duplicates Z: 9 9.482 1.824 0.499 0.344 0.875 0.500 CA 1.661 9 residues pruned to eliminate duplicates Z: 6 11.379 2.013 0.425 0.849 1.000 1.000 CB 1.316 Z: 21 30.614 1.994 0.641 0.881 0.950 0.600 CB 1.594 50 residues pruned to eliminate duplicates Z: 11 8.679 1.903 0.534 0.551 0.900 0.700 CA 0.994 11 residues pruned to eliminate duplicates Z: 23 32.931 1.882 0.767 0.889 1.000 0.727 CA 1.520 23 residues pruned to eliminate duplicates Z: 10 8.103 1.987 0.292 0.440 0.889 0.778 CB 1.259 12 residues pruned to eliminate duplicates Z: 21 13.480 2.009 0.439 0.297 0.950 0.550 CB 1.378 21 residues pruned to eliminate duplicates Z: 17 21.019 2.019 0.653 0.863 0.875 0.562 CA 1.320 17 residues pruned to eliminate duplicates Z: 19 14.399 1.873 0.581 0.427 0.889 0.667 CA 1.391 19 residues pruned to eliminate duplicates Z: 14 15.056 1.912 0.567 0.555 0.923 0.308 CB 1.432 14 residues pruned to eliminate duplicates Z: 34 15.438 2.082 0.464 0.335 0.727 0.394 CB 1.452 34 residues pruned to eliminate duplicates Z: 28 10.585 1.780 0.402 0.368 0.815 0.481 CB 1.154 11 residues pruned to eliminate duplicates Z: 20 20.813 1.987 0.227 0.878 0.947 0.789 CB 1.499 20 residues pruned to eliminate duplicates Z: 17 17.501 2.043 0.310 0.717 0.938 0.625 CB 1.433 17 residues pruned to eliminate duplicates Z: 9 12.786 1.992 0.696 0.573 0.875 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 6 2.264 1.624 0.148 0.852 1.000 0.800 CB 0.402 Z: 24 10.283 1.923 0.322 0.388 0.826 0.435 CB 1.150 24 residues pruned to eliminate duplicates Z: 16 7.384 1.794 0.207 0.454 0.800 0.600 CA 1.153 16 residues pruned to eliminate duplicates Z: 41 28.064 2.087 0.524 0.504 0.925 0.475 CA 1.502 41 residues pruned to eliminate duplicates Z: 7 3.985 1.708 0.474 0.392 0.667 0.500 CA 1.088 8 residues pruned to eliminate duplicates Z: 20 10.859 1.793 0.540 0.325 0.947 0.526 CB 1.154 Z: 21 48.310 2.268 0.952 0.927 1.000 0.650 CB 1.709 21 residues pruned to eliminate duplicates Z: 6 5.495 1.981 0.183 0.583 0.800 0.800 CA 1.211 6 residues pruned to eliminate duplicates Z: 21 25.758 2.041 0.411 0.899 1.000 0.700 CB 1.430 21 residues pruned to eliminate duplicates Z: 45 27.832 2.110 0.472 0.457 0.955 0.477 CA 1.478 45 residues pruned to eliminate duplicates Z: 9 10.396 1.747 0.301 0.778 1.000 0.500 CB 1.265 9 residues pruned to eliminate duplicates Z: 23 12.488 1.906 0.305 0.385 0.818 0.545 CB 1.479 23 residues pruned to eliminate duplicates Z: 17 12.139 2.008 0.442 0.337 0.812 0.312 CA 1.542 17 residues pruned to eliminate duplicates Z: 6 10.589 1.737 0.784 0.695 1.000 0.800 CA 1.279 6 residues pruned to eliminate duplicates Z: 6 4.682 1.492 0.458 0.571 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 58 21.921 1.931 0.317 0.430 0.895 0.509 CB 1.372 58 residues pruned to eliminate duplicates Z: 25 13.097 1.883 0.419 0.389 0.792 0.500 CB 1.421 25 residues pruned to eliminate duplicates Z: 6 7.371 1.772 0.265 0.647 1.000 0.600 CB 1.282 6 residues pruned to eliminate duplicates Z: 21 26.810 2.029 0.549 0.887 0.900 0.550 CB 1.529 21 residues pruned to eliminate duplicates Z: 10 4.666 1.615 0.206 0.506 0.778 0.444 CB 1.021 Z: 6 2.734 1.705 0.015 0.491 0.800 0.600 CB 0.891 Z: 15 8.368 1.788 0.272 0.489 0.929 0.714 CB 1.070 15 residues pruned to eliminate duplicates Z: 13 11.820 1.943 0.153 0.836 0.917 0.750 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 12.852 1.982 0.291 0.397 1.000 0.538 CA 1.553 13 residues pruned to eliminate duplicates Z: 10 6.961 1.635 0.321 0.460 0.889 0.556 C 1.259 6 residues pruned to eliminate duplicates Z: 9 7.854 1.944 0.672 0.311 0.875 0.375 CA 1.204 9 residues pruned to eliminate duplicates Z: 13 14.827 2.120 0.352 0.857 1.000 0.750 CB 1.100 13 residues pruned to eliminate duplicates Z: 9 13.373 1.720 0.527 0.850 1.000 0.750 CB 1.333 9 residues pruned to eliminate duplicates Z: 12 14.771 1.915 0.368 0.830 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 9 4.657 1.502 0.317 0.298 0.875 0.750 CA 1.192 Z: 21 11.321 1.781 0.529 0.365 0.850 0.500 CB 1.264 21 residues pruned to eliminate duplicates Z: 61 19.024 1.897 0.324 0.399 0.850 0.450 CB 1.279 52 residues pruned to eliminate duplicates Z: 13 14.210 2.058 0.380 0.518 0.917 0.833 CA 1.549 13 residues pruned to eliminate duplicates Z: 23 17.876 2.119 0.474 0.407 0.864 0.591 CA 1.557 23 residues pruned to eliminate duplicates Z: 20 28.220 2.027 0.586 0.844 0.947 0.684 CB 1.582 20 residues pruned to eliminate duplicates Z: 14 10.378 1.892 0.367 0.474 1.000 0.462 CB 1.142 14 residues pruned to eliminate duplicates Z: 26 13.355 1.847 0.460 0.390 0.880 0.480 CA 1.264 26 residues pruned to eliminate duplicates Z: 7 3.578 1.704 -0.043 0.522 0.833 0.500 CB 1.052 7 residues pruned to eliminate duplicates Z: 6 3.509 1.710 0.313 0.516 0.800 0.600 CB 0.859 Z: 13 9.065 1.991 0.339 0.477 0.750 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 13 14.991 1.984 0.536 0.530 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 6 8.338 1.867 0.259 0.843 1.000 0.800 CA 1.181 6 residues pruned to eliminate duplicates Z: 11 16.427 2.140 0.437 0.846 1.000 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 24 10.080 1.870 0.722 0.282 0.739 0.478 CB 1.130 24 residues pruned to eliminate duplicates Z: 7 8.410 2.002 0.404 0.868 1.000 1.000 CB 0.893 7 residues pruned to eliminate duplicates Z: 45 36.098 2.062 0.638 0.627 0.932 0.705 CB 1.534 37 residues pruned to eliminate duplicates Z: 7 11.224 1.932 0.284 0.718 1.000 0.833 CB 1.516 7 residues pruned to eliminate duplicates Z: 9 4.516 1.600 -0.098 0.513 1.000 0.625 CB 1.093 Z: 21 26.975 2.012 0.596 0.891 0.950 0.600 CA 1.421 21 residues pruned to eliminate duplicates Z: 39 22.996 1.965 0.510 0.497 0.921 0.658 CB 1.369 39 residues pruned to eliminate duplicates Z: 12 6.170 1.841 0.436 0.378 0.727 0.455 CB 1.103 12 residues pruned to eliminate duplicates Z: 8 8.703 1.806 0.311 0.546 0.857 0.571 C 1.550 8 residues pruned to eliminate duplicates Z: 29 12.529 1.921 0.270 0.397 0.893 0.607 CB 1.212 20 residues pruned to eliminate duplicates Z: 11 7.590 1.653 0.789 0.464 0.900 0.500 CB 0.935 6 residues pruned to eliminate duplicates Z: 9 5.991 1.721 0.035 0.504 0.875 0.375 CA 1.353 9 residues pruned to eliminate duplicates Z: 16 10.125 1.656 0.793 0.351 0.867 0.533 CA 1.193 16 residues pruned to eliminate duplicates Z: 13 15.507 1.941 0.580 0.585 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 12 8.304 1.955 0.376 0.433 0.909 0.545 CA 1.097 12 residues pruned to eliminate duplicates Z: 13 5.488 1.685 0.340 0.501 0.833 0.583 CB 0.842 13 residues pruned to eliminate duplicates Z: 13 8.987 1.980 0.345 0.384 0.833 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 15 13.228 1.905 0.713 0.570 0.786 0.214 CA 1.288 15 residues pruned to eliminate duplicates Z: 30 12.266 1.790 0.368 0.447 0.897 0.517 CB 1.096 30 residues pruned to eliminate duplicates Z: 53 26.029 1.951 0.423 0.475 0.942 0.577 CB 1.415 51 residues pruned to eliminate duplicates Z: 7 4.507 1.803 0.378 0.355 0.833 0.333 CA 1.040 7 residues pruned to eliminate duplicates Z: 6 3.284 1.532 0.096 0.738 1.000 0.400 CA 0.706 6 residues pruned to eliminate duplicates Z: 26 17.944 1.964 0.449 0.462 0.960 0.560 CA 1.366 26 residues pruned to eliminate duplicates Z: 22 21.766 1.919 0.318 0.888 1.000 0.810 CA 1.353 22 residues pruned to eliminate duplicates Z: 16 12.926 1.908 0.297 0.450 1.000 0.467 CA 1.419 13 residues pruned to eliminate duplicates Z: 21 31.016 2.049 0.570 0.921 1.000 0.600 CB 1.518 21 residues pruned to eliminate duplicates Z: 18 14.275 2.004 0.652 0.391 0.882 0.471 CA 1.330 18 residues pruned to eliminate duplicates Z: 8 5.712 1.595 0.356 0.506 0.857 0.286 CB 1.158 Z: 10 9.929 1.854 0.512 0.883 0.667 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 11 6.014 2.030 0.444 0.367 0.600 0.400 CB 1.247 11 residues pruned to eliminate duplicates Z: 52 24.043 1.961 0.418 0.425 0.961 0.549 CB 1.363 52 residues pruned to eliminate duplicates Z: 6 2.413 1.376 0.044 0.362 1.000 0.400 CA 0.871 6 residues pruned to eliminate duplicates Z: 28 13.483 1.962 0.363 0.371 0.852 0.481 CA 1.309 40 residues pruned to eliminate duplicates Z: 32 17.831 1.873 0.412 0.477 0.903 0.516 CA 1.372 32 residues pruned to eliminate duplicates Z: 11 3.666 1.704 0.624 0.360 0.600 0.300 CB 0.812 11 residues pruned to eliminate duplicates Z: 9 8.889 1.647 0.370 0.787 1.000 0.750 CA 1.082 9 residues pruned to eliminate duplicates Z: 13 9.096 1.826 0.514 0.474 0.833 0.583 CA 1.170 13 residues pruned to eliminate duplicates Z: 13 8.796 1.784 0.630 0.286 0.833 0.333 N 1.333 4 residues pruned to eliminate duplicates Z: 12 12.240 1.791 0.798 0.557 0.818 0.636 CB 1.325 Z: 8 4.651 1.592 0.330 0.274 1.000 0.571 N 1.072 Z: 7 5.487 1.706 -0.081 0.810 0.833 0.500 C 1.308 7 residues pruned to eliminate duplicates Z: 10 5.594 1.613 0.650 0.429 0.778 0.556 CB 0.969 10 residues pruned to eliminate duplicates Z: 11 8.066 1.780 0.496 0.354 0.800 0.800 CA 1.402 11 residues pruned to eliminate duplicates Z: 27 12.931 1.917 0.296 0.391 0.885 0.462 CB 1.295 27 residues pruned to eliminate duplicates Z: 9 7.608 1.836 0.427 0.359 0.875 0.500 CB 1.366 9 residues pruned to eliminate duplicates Z: 15 28.703 2.081 0.803 0.910 0.929 0.643 CA 1.562 15 residues pruned to eliminate duplicates Z: 38 32.464 1.901 0.780 0.722 0.973 0.649 CB 1.327 38 residues pruned to eliminate duplicates Z: 15 11.189 1.944 0.175 0.476 0.929 0.500 CB 1.444 15 residues pruned to eliminate duplicates Z: 24 21.823 2.174 0.854 0.337 0.957 0.478 CB 1.410 24 residues pruned to eliminate duplicates Z: 6 11.589 2.017 0.736 0.799 1.000 0.600 CB 1.140 6 residues pruned to eliminate duplicates Z: 21 24.336 1.998 0.268 0.899 1.000 0.650 CA 1.535 21 residues pruned to eliminate duplicates Z: 13 12.020 2.044 0.563 0.385 0.917 0.667 CA 1.339 9 residues pruned to eliminate duplicates Z: 21 32.822 2.060 0.689 0.904 1.000 0.600 CB 1.503 21 residues pruned to eliminate duplicates Z: 9 7.096 1.757 0.312 0.814 0.875 0.625 CA 0.946 9 residues pruned to eliminate duplicates Z: 12 9.506 1.935 0.312 0.452 0.909 0.545 CA 1.304 12 residues pruned to eliminate duplicates Z: 15 25.114 2.168 0.833 0.842 0.857 0.500 CB 1.469 15 residues pruned to eliminate duplicates Z: 13 13.105 1.871 0.447 0.561 1.000 0.750 CA 1.318 13 residues pruned to eliminate duplicates Z: 11 6.178 1.759 0.181 0.512 0.900 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 7 3.184 1.639 0.085 0.600 0.833 0.500 CB 0.797 Z: 14 4.618 1.840 0.305 0.326 0.692 0.462 CB 0.933 14 residues pruned to eliminate duplicates Z: 11 7.650 1.870 0.544 0.294 0.900 0.600 N 1.174 11 residues pruned to eliminate duplicates Z: 19 22.396 2.120 0.707 0.587 0.944 0.667 CB 1.421 19 residues pruned to eliminate duplicates Z: 13 7.542 2.111 0.251 0.348 0.750 0.500 CB 1.297 13 residues pruned to eliminate duplicates Z: 7 9.084 2.117 0.396 0.440 0.833 0.667 CB 1.603 7 residues pruned to eliminate duplicates Z: 18 14.334 1.960 0.576 0.439 0.882 0.824 CA 1.358 18 residues pruned to eliminate duplicates Z: 27 13.807 1.973 0.152 0.442 0.923 0.577 CA 1.370 27 residues pruned to eliminate duplicates Z: 9 7.962 1.777 0.390 0.791 0.875 0.500 CA 1.009 9 residues pruned to eliminate duplicates Z: 9 5.307 1.679 0.194 0.442 0.750 0.375 CA 1.326 9 residues pruned to eliminate duplicates Z: 22 28.930 1.988 0.725 0.874 0.952 0.667 CB 1.407 23 residues pruned to eliminate duplicates Z: 15 10.654 1.937 0.580 0.394 0.786 0.643 CA 1.324 15 residues pruned to eliminate duplicates Z: 6 2.506 1.386 0.753 0.378 0.800 0.800 CB 0.656 Z: 6 4.324 1.750 0.142 0.582 0.800 0.800 CB 1.118 6 residues pruned to eliminate duplicates Z: 12 5.198 1.808 0.005 0.516 0.818 0.545 CA 1.037 12 residues pruned to eliminate duplicates Z: 21 11.250 1.864 0.326 0.388 0.850 0.450 CB 1.348 21 residues pruned to eliminate duplicates Z: 8 3.158 1.691 0.164 0.327 0.714 0.286 CA 1.027 Z: 36 19.274 2.001 0.515 0.430 0.914 0.429 CB 1.264 36 residues pruned to eliminate duplicates Z: 10 9.710 1.644 0.790 0.659 0.889 0.778 CA 1.068 10 residues pruned to eliminate duplicates Z: 17 16.652 1.794 0.642 0.710 0.938 0.375 CB 1.246 17 residues pruned to eliminate duplicates Z: 9 8.749 1.979 0.271 0.438 1.000 0.625 CA 1.310 9 residues pruned to eliminate duplicates Z: 33 18.124 1.994 0.578 0.384 0.812 0.500 CB 1.417 33 residues pruned to eliminate duplicates Z: 7 3.293 1.617 0.833 0.330 1.000 0.500 CB 0.546 Z: 25 13.413 1.956 0.341 0.365 0.917 0.417 CB 1.317 25 residues pruned to eliminate duplicates Z: 11 4.488 1.478 0.625 0.446 0.800 0.500 CB 0.781 11 residues pruned to eliminate duplicates Z: 11 4.194 1.735 0.115 0.440 0.700 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 15 8.222 1.806 0.407 0.448 0.857 0.571 CA 1.064 15 residues pruned to eliminate duplicates Z: 6 2.225 1.499 -0.145 0.434 0.800 0.800 N 1.039 Z: 36 29.245 2.067 0.387 0.717 0.971 0.714 CA 1.458 36 residues pruned to eliminate duplicates Z: 26 15.426 1.922 0.386 0.468 0.920 0.600 CA 1.301 26 residues pruned to eliminate duplicates Z: 14 12.479 1.967 0.346 0.446 0.923 0.462 CB 1.497 14 residues pruned to eliminate duplicates Z: 12 13.986 1.768 0.562 0.634 0.909 0.636 CB 1.482 12 residues pruned to eliminate duplicates Z: 14 9.591 1.907 0.657 0.403 0.846 0.615 CA 1.101 14 residues pruned to eliminate duplicates Z: 9 7.184 1.634 0.150 0.777 0.750 0.500 O 1.411 9 residues pruned to eliminate duplicates Z: 6 13.800 2.018 0.757 0.750 1.000 0.600 CA 1.393 6 residues pruned to eliminate duplicates Z: 10 10.463 2.019 0.451 0.816 0.778 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 41 20.429 1.953 0.271 0.492 0.950 0.625 CB 1.380 43 residues pruned to eliminate duplicates Z: 11 4.733 1.533 0.504 0.309 0.700 0.300 CA 1.146 11 residues pruned to eliminate duplicates Z: 7 3.872 1.718 -0.005 0.561 0.667 0.500 CB 1.308 7 residues pruned to eliminate duplicates Z: 8 8.631 1.858 0.048 0.879 1.000 1.000 CA 1.215 8 residues pruned to eliminate duplicates Z: 12 11.113 1.899 0.324 0.496 0.909 0.455 CA 1.471 12 residues pruned to eliminate duplicates Z: 10 7.950 1.733 0.183 0.805 1.000 0.667 CB 0.991 10 residues pruned to eliminate duplicates 6 1.572 1.455 -0.403 0.299 1.000 0.600 N 1.012 ? Z: 35 21.644 1.942 0.466 0.511 0.941 0.500 CB 1.370 35 residues pruned to eliminate duplicates Z: 25 22.118 2.066 0.544 0.647 0.917 0.625 CB 1.346 25 residues pruned to eliminate duplicates Z: 10 4.989 1.529 0.563 0.530 0.889 0.556 CB 0.760 10 residues pruned to eliminate duplicates Z: 11 7.250 1.831 0.662 0.424 0.700 0.600 CB 1.165 10 residues pruned to eliminate duplicates Z: 35 17.828 1.989 0.701 0.300 0.765 0.412 CB 1.478 35 residues pruned to eliminate duplicates Z: 13 10.020 1.853 0.558 0.437 0.917 0.583 N 1.167 13 residues pruned to eliminate duplicates Z: 11 8.916 1.864 0.672 0.442 0.800 0.400 CB 1.200 11 residues pruned to eliminate duplicates Z: 10 7.416 1.872 0.475 0.450 0.778 0.556 N 1.211 10 residues pruned to eliminate duplicates Z: 32 16.529 1.972 0.409 0.423 0.839 0.710 CB 1.381 32 residues pruned to eliminate duplicates Z: 10 6.856 2.130 0.119 0.388 0.778 0.667 CA 1.387 10 residues pruned to eliminate duplicates Z: 7 2.840 1.600 -0.330 0.657 1.000 0.667 C 0.936 Z: 9 12.556 1.664 0.480 0.853 1.000 0.875 CB 1.331 9 residues pruned to eliminate duplicates Z: 18 16.321 1.833 0.511 0.854 0.941 0.647 CB 1.122 18 residues pruned to eliminate duplicates Z: 18 17.248 1.936 0.348 0.867 1.000 0.706 CB 1.173 18 residues pruned to eliminate duplicates Z: 15 10.358 1.865 0.473 0.424 0.857 0.500 CA 1.272 15 residues pruned to eliminate duplicates 6 1.893 1.431 0.342 0.474 0.600 0.400 C 0.755 ? Z: 6 2.323 1.364 0.508 0.100 0.800 0.400 C 1.052 Z: 43 21.907 1.968 0.389 0.479 0.905 0.548 CA 1.396 43 residues pruned to eliminate duplicates Z: 21 27.548 2.043 0.543 0.868 1.000 0.550 CA 1.429 21 residues pruned to eliminate duplicates Z: 6 7.777 1.803 0.029 0.766 1.000 0.800 N 1.482 6 residues pruned to eliminate duplicates Z: 18 20.131 1.851 0.701 0.886 1.000 0.824 CB 1.118 18 residues pruned to eliminate duplicates Z: 12 13.256 2.054 0.439 0.502 0.909 0.727 CA 1.485 12 residues pruned to eliminate duplicates Z: 12 16.096 2.002 0.254 0.793 1.000 0.545 CA 1.494 12 residues pruned to eliminate duplicates Z: 7 3.545 1.480 0.175 0.500 0.833 0.333 O 0.999 7 residues pruned to eliminate duplicates Z: 34 14.401 1.816 0.341 0.419 0.879 0.576 CB 1.275 34 residues pruned to eliminate duplicates Z: 24 18.024 1.975 0.503 0.530 0.957 0.652 CA 1.285 24 residues pruned to eliminate duplicates Z: 39 22.635 1.922 0.551 0.513 0.895 0.579 CA 1.359 39 residues pruned to eliminate duplicates Z: 20 11.743 1.814 0.525 0.489 0.895 0.737 CB 1.101 18 residues pruned to eliminate duplicates Z: 17 3.981 1.597 0.388 0.220 0.812 0.312 CB 0.767 Z: 21 30.612 2.046 0.569 0.929 1.000 0.600 CB 1.492 21 residues pruned to eliminate duplicates Z: 21 24.395 2.005 0.477 0.832 0.950 0.550 CB 1.455 21 residues pruned to eliminate duplicates Z: 21 13.655 1.737 0.392 0.707 0.950 0.850 CB 1.102 21 residues pruned to eliminate duplicates Z: 21 10.813 1.827 0.346 0.368 0.950 0.600 CB 1.191 21 residues pruned to eliminate duplicates Z: 29 14.748 1.821 0.481 0.381 0.786 0.536 CA 1.492 29 residues pruned to eliminate duplicates Z: 31 27.559 2.051 0.484 0.736 0.967 0.633 CB 1.384 31 residues pruned to eliminate duplicates Z: 6 4.698 1.601 0.392 0.535 0.800 0.600 CA 1.139 7 residues pruned to eliminate duplicates Z: 22 9.322 1.818 0.351 0.331 0.810 0.476 CB 1.231 22 residues pruned to eliminate duplicates Z: 21 14.261 1.988 0.521 0.493 0.800 0.650 CA 1.328 21 residues pruned to eliminate duplicates Z: 22 13.416 1.983 0.407 0.394 0.905 0.524 CA 1.297 22 residues pruned to eliminate duplicates Z: 7 7.916 1.994 0.191 0.554 1.000 0.667 CA 1.291 7 residues pruned to eliminate duplicates Z: 9 3.502 1.531 0.091 0.397 0.875 0.500 CB 0.945 Z: 16 12.184 1.907 0.175 0.470 1.000 0.667 CA 1.446 16 residues pruned to eliminate duplicates Z: 13 10.218 2.019 0.639 0.347 0.833 0.750 CA 1.263 14 residues pruned to eliminate duplicates Z: 17 10.539 1.830 0.340 0.511 0.875 0.438 CB 1.214 17 residues pruned to eliminate duplicates Z: 7 6.835 1.546 0.281 0.765 1.000 0.500 CB 1.114 7 residues pruned to eliminate duplicates Z: 14 11.910 1.904 0.437 0.571 0.846 0.462 CA 1.333 14 residues pruned to eliminate duplicates Z: 34 21.084 1.968 0.509 0.417 0.909 0.515 CB 1.483 34 residues pruned to eliminate duplicates Z: 6 4.747 1.947 -0.083 0.562 1.000 0.600 CB 1.120 6 residues pruned to eliminate duplicates Z: 11 9.066 1.776 0.176 0.560 0.900 0.800 N 1.439 11 residues pruned to eliminate duplicates Z: 59 31.690 2.076 0.691 0.494 0.879 0.517 CB 1.357 59 residues pruned to eliminate duplicates Z: 12 7.344 1.870 0.414 0.413 0.727 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 6 2.649 1.508 0.060 0.535 0.800 0.600 CB 0.895 6 residues pruned to eliminate duplicates Z: 6 4.622 1.593 0.090 0.544 1.000 0.400 CB 1.141 Z: 8 3.760 1.533 0.734 0.214 0.714 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 7 2.416 1.465 0.571 0.240 0.500 0.333 CB 1.159 Z: 12 9.042 1.714 0.393 0.312 1.000 0.545 CB 1.406 11 residues pruned to eliminate duplicates Z: 13 9.184 1.866 0.310 0.309 0.833 0.417 CB 1.608 13 residues pruned to eliminate duplicates Z: 12 21.369 1.777 0.772 0.901 1.000 0.909 C 1.461 Z: 25 26.039 2.133 0.545 0.620 0.958 0.708 CA 1.503 25 residues pruned to eliminate duplicates Z: 28 20.293 2.146 0.480 0.418 0.926 0.519 CB 1.446 28 residues pruned to eliminate duplicates Z: 25 15.016 1.896 0.792 0.606 0.667 0.458 CB 1.223 25 residues pruned to eliminate duplicates Z: 7 3.515 1.584 0.639 0.358 0.667 0.667 CB 0.967 7 residues pruned to eliminate duplicates Z: 12 8.396 1.849 0.337 0.338 1.000 0.545 N 1.221 12 residues pruned to eliminate duplicates Z: 6 3.445 1.560 0.074 0.647 1.000 0.600 CB 0.802 Z: 21 9.439 1.890 0.381 0.351 0.850 0.500 CB 1.118 21 residues pruned to eliminate duplicates Z: 9 11.022 1.747 0.520 0.842 0.875 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 6 2.760 1.405 0.045 0.396 0.800 0.600 O 1.172 Z: 12 9.720 1.803 0.294 0.526 0.909 0.636 CB 1.347 12 residues pruned to eliminate duplicates Z: 11 9.445 1.814 0.309 0.444 0.900 0.800 CA 1.480 11 residues pruned to eliminate duplicates Z: 58 37.629 2.001 0.697 0.644 0.930 0.614 CB 1.379 58 residues pruned to eliminate duplicates Z: 6 5.662 1.659 0.217 0.726 0.800 0.800 CA 1.279 6 residues pruned to eliminate duplicates Z: 18 22.272 1.836 0.982 0.914 1.000 0.353 CB 1.050 18 residues pruned to eliminate duplicates Z: 85 49.617 2.153 0.711 0.556 0.929 0.512 CB 1.499 85 residues pruned to eliminate duplicates Z: 7 6.653 1.536 0.677 0.508 0.833 0.667 CA 1.256 Z: 10 5.511 1.617 0.530 0.462 0.778 0.667 CB 0.992 10 residues pruned to eliminate duplicates Z: 9 4.436 1.559 0.355 0.289 0.875 0.625 CA 1.076 9 residues pruned to eliminate duplicates Z: 43 16.560 1.907 0.384 0.317 0.833 0.476 CA 1.422 43 residues pruned to eliminate duplicates Z: 15 11.923 1.802 0.450 0.519 0.929 0.643 CA 1.289 14 residues pruned to eliminate duplicates Z: 9 11.355 1.969 0.466 0.658 0.875 0.875 CA 1.372 9 residues pruned to eliminate duplicates Z: 15 8.590 1.692 0.438 0.307 0.929 0.571 CA 1.259 15 residues pruned to eliminate duplicates Z: 32 14.373 1.946 0.208 0.453 0.839 0.516 CB 1.374 32 residues pruned to eliminate duplicates Z: 6 5.772 1.533 0.293 0.768 1.000 0.600 CA 1.027 6 residues pruned to eliminate duplicates Z: 52 24.456 1.972 0.397 0.462 0.922 0.647 CB 1.402 52 residues pruned to eliminate duplicates Z: 7 6.755 1.619 0.298 0.674 1.000 0.833 CB 1.117 7 residues pruned to eliminate duplicates Z: 19 26.236 2.130 0.360 0.905 0.944 0.611 CA 1.609 19 residues pruned to eliminate duplicates Z: 6 2.166 1.623 0.060 0.616 0.800 0.400 CB 0.630 6 residues pruned to eliminate duplicates Z: 20 10.132 1.898 0.527 0.315 0.789 0.263 CA 1.246 20 residues pruned to eliminate duplicates Z: 9 2.176 1.663 -0.069 0.090 0.875 0.250 CB 0.962 9 residues pruned to eliminate duplicates Z: 6 3.590 1.672 -0.154 0.630 1.000 0.800 CB 1.004 Z: 30 16.076 1.893 0.449 0.383 0.862 0.517 CA 1.429 30 residues pruned to eliminate duplicates Z: 8 5.399 1.602 0.364 0.601 1.000 0.571 CB 0.848 Z: 64 32.882 1.968 0.508 0.600 0.937 0.698 CB 1.355 64 residues pruned to eliminate duplicates Z: 13 5.047 1.600 0.576 0.314 0.667 0.417 CA 1.064 13 residues pruned to eliminate duplicates Z: 6 4.608 1.380 0.476 0.807 0.800 0.400 CA 0.967 6 residues pruned to eliminate duplicates Z: 6 3.457 1.346 0.402 0.531 1.000 1.000 N 0.795 Z: 6 11.569 1.770 0.645 0.733 1.000 0.800 CA 1.442 6 residues pruned to eliminate duplicates Z: 13 11.665 1.851 0.474 0.505 0.833 0.500 CB 1.473 13 residues pruned to eliminate duplicates Z: 11 7.505 1.875 0.034 0.440 0.900 0.600 CA 1.447 11 residues pruned to eliminate duplicates 6 1.902 1.294 0.238 0.344 0.800 0.600 C 0.786 ? Z: 50 24.768 1.940 0.548 0.394 0.857 0.510 CB 1.537 50 residues pruned to eliminate duplicates Z: 12 14.868 1.889 0.487 0.526 1.000 0.545 CA 1.555 12 residues pruned to eliminate duplicates Z: 11 9.378 1.652 0.523 0.519 0.900 0.600 CB 1.285 11 residues pruned to eliminate duplicates 7 1.728 1.442 0.130 0.409 0.500 0.167 CB 0.953 ? Z: 10 5.366 1.580 0.162 0.407 0.889 0.444 N 1.209 10 residues pruned to eliminate duplicates Z: 6 3.463 1.857 -0.053 0.564 0.800 0.400 CB 1.034 6 residues pruned to eliminate duplicates Z: 8 3.297 1.601 0.483 0.249 0.714 0.429 C 0.981 Z: 50 37.370 2.099 0.493 0.637 1.000 0.510 CA 1.499 50 residues pruned to eliminate duplicates Z: 26 16.770 1.906 0.431 0.485 0.920 0.520 CB 1.357 26 residues pruned to eliminate duplicates Z: 7 2.498 1.520 0.061 0.402 0.667 0.500 CA 1.051 Z: 9 8.431 2.018 0.181 0.621 1.000 0.750 CA 1.116 9 residues pruned to eliminate duplicates Z: 10 4.542 1.686 -0.016 0.271 0.889 0.444 CB 1.331 8 residues pruned to eliminate duplicates Z: 13 12.411 2.026 0.474 0.595 0.833 0.500 CB 1.315 13 residues pruned to eliminate duplicates Z: 13 5.264 1.608 0.222 0.381 0.917 0.333 CA 0.957 13 residues pruned to eliminate duplicates Z: 8 2.679 1.808 0.466 0.499 0.857 0.714 CB 0.446 8 residues pruned to eliminate duplicates Z: 17 23.391 1.965 0.790 0.923 1.000 0.562 CB 1.168 17 residues pruned to eliminate duplicates Z: 12 7.116 1.841 0.439 0.344 0.727 0.455 CA 1.320 12 residues pruned to eliminate duplicates Z: 7 7.884 1.932 0.096 0.731 1.000 0.833 CA 1.235 7 residues pruned to eliminate duplicates Z: 6 2.682 1.468 0.428 0.484 0.600 0.400 CB 0.969 Z: 20 16.683 1.996 0.355 0.615 0.947 0.632 CA 1.340 20 residues pruned to eliminate duplicates Z: 11 8.695 1.877 0.526 0.591 0.900 0.800 CA 0.978 11 residues pruned to eliminate duplicates Z: 7 4.486 1.867 0.482 0.345 0.667 0.500 CB 1.175 7 residues pruned to eliminate duplicates Z: 54 26.077 1.935 0.517 0.447 0.962 0.528 CB 1.338 56 residues pruned to eliminate duplicates Z: 38 17.885 1.926 0.397 0.432 0.919 0.514 CB 1.276 38 residues pruned to eliminate duplicates Z: 6 2.976 1.516 -0.047 0.483 0.800 0.600 CB 1.171 Z: 9 8.697 1.947 0.525 0.381 1.000 0.750 CB 1.175 9 residues pruned to eliminate duplicates Z: 13 15.609 2.023 0.601 0.464 0.917 0.583 CB 1.575 13 residues pruned to eliminate duplicates Z: 10 3.820 1.467 0.452 0.191 0.778 0.222 CA 1.112 Z: 23 39.612 2.238 0.752 0.830 0.955 0.636 CA 1.696 23 residues pruned to eliminate duplicates Z: 9 4.085 1.780 0.335 0.184 0.750 0.500 CB 1.186 9 residues pruned to eliminate duplicates Z: 11 12.715 1.995 0.289 0.806 0.900 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 13 6.274 1.777 0.335 0.403 0.833 0.667 CA 1.014 13 residues pruned to eliminate duplicates Z: 17 11.195 1.876 0.469 0.434 0.938 0.562 CA 1.160 17 residues pruned to eliminate duplicates Z: 21 12.412 1.815 0.534 0.528 0.900 0.750 CA 1.078 21 residues pruned to eliminate duplicates Z: 15 12.659 1.911 0.223 0.559 0.929 0.643 CB 1.473 15 residues pruned to eliminate duplicates Z: 17 17.658 1.918 0.486 0.905 1.000 0.750 CB 1.102 17 residues pruned to eliminate duplicates Z: 15 14.142 1.969 0.326 0.858 1.000 0.714 CB 1.066 15 residues pruned to eliminate duplicates Z: 19 7.622 1.665 0.493 0.257 0.778 0.389 CB 1.227 19 residues pruned to eliminate duplicates Z: 12 17.663 2.075 0.484 0.580 1.000 0.636 CB 1.602 12 residues pruned to eliminate duplicates Z: 6 5.072 1.901 0.050 0.606 0.800 0.600 CB 1.285 6 residues pruned to eliminate duplicates Z: 15 7.514 1.653 0.267 0.403 1.000 0.643 CB 1.061 15 residues pruned to eliminate duplicates Z: 9 4.176 1.703 0.216 0.448 0.750 0.375 N 1.003 Z: 8 9.192 1.841 0.311 0.887 0.714 0.429 CB 1.453 8 residues pruned to eliminate duplicates Z: 11 7.721 1.683 0.469 0.306 0.900 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 19 15.243 1.915 0.558 0.486 0.944 0.722 CA 1.293 19 residues pruned to eliminate duplicates Z: 40 40.787 2.128 0.732 0.678 0.974 0.564 CA 1.543 40 residues pruned to eliminate duplicates Z: 9 10.460 1.824 0.813 0.554 0.875 0.500 CB 1.212 9 residues pruned to eliminate duplicates Z: 11 12.944 1.815 0.506 0.919 1.000 0.900 CA 1.055 11 residues pruned to eliminate duplicates Z: 6 4.421 1.765 0.327 0.508 0.800 0.600 CB 1.047 8 residues pruned to eliminate duplicates Z: 9 6.089 1.528 0.206 0.785 0.750 0.500 CB 1.213 9 residues pruned to eliminate duplicates Z: 19 23.845 1.989 0.513 0.898 0.944 0.778 CA 1.415 19 residues pruned to eliminate duplicates Z: 8 3.388 1.503 0.241 0.400 1.000 0.286 CB 0.762 8 residues pruned to eliminate duplicates Z: 6 2.896 1.516 0.258 0.414 0.800 0.600 N 0.929 6 residues pruned to eliminate duplicates Z: 26 11.166 1.698 0.313 0.377 0.960 0.400 CA 1.189 26 residues pruned to eliminate duplicates 6 1.302 1.303 0.087 0.299 0.600 0.600 CB 0.856 ? Z: 10 6.687 1.743 0.228 0.462 1.000 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 27 17.710 2.014 0.449 0.497 0.885 0.538 CB 1.349 26 residues pruned to eliminate duplicates Z: 68 35.190 1.944 0.581 0.585 0.925 0.537 CB 1.394 68 residues pruned to eliminate duplicates Z: 14 11.553 1.824 0.497 0.536 0.923 0.692 CA 1.227 14 residues pruned to eliminate duplicates Z: 26 19.240 2.071 0.434 0.506 0.920 0.640 CB 1.400 26 residues pruned to eliminate duplicates Z: 25 16.747 1.945 0.761 0.534 0.917 0.458 CB 1.052 25 residues pruned to eliminate duplicates Z: 12 9.494 1.885 0.260 0.443 0.909 0.545 CB 1.405 12 residues pruned to eliminate duplicates Z: 6 2.009 1.201 0.497 0.295 0.800 0.400 C 0.786 Z: 24 34.092 2.276 0.705 0.668 1.000 0.609 CA 1.569 24 residues pruned to eliminate duplicates Z: 6 4.215 1.907 0.393 0.700 0.800 0.800 CB 0.739 6 residues pruned to eliminate duplicates Z: 12 4.638 1.509 0.253 0.299 0.727 0.455 CB 1.273 Z: 7 4.125 1.343 0.599 0.509 0.833 0.667 CB 0.933 Z: 6 2.763 1.728 0.147 0.324 0.600 0.600 N 1.262 Z: 6 2.607 1.518 0.229 0.299 1.000 0.600 CB 0.782 Z: 21 31.152 2.051 0.716 0.906 0.950 0.600 CB 1.481 21 residues pruned to eliminate duplicates Z: 10 10.489 1.740 0.605 0.867 0.889 0.556 CA 1.030 10 residues pruned to eliminate duplicates Z: 6 4.869 1.653 0.371 0.572 1.000 0.800 N 0.896 Z: 11 13.054 1.935 0.734 0.586 0.800 0.600 CA 1.416 11 residues pruned to eliminate duplicates Z: 49 17.701 1.942 0.381 0.375 0.833 0.646 CB 1.307 49 residues pruned to eliminate duplicates Z: 7 4.763 1.698 0.507 0.598 0.833 0.333 CA 0.831 6 residues pruned to eliminate duplicates Z: 9 4.040 1.556 0.154 0.371 0.875 0.375 CB 1.044 Z: 21 14.089 1.895 0.335 0.495 0.950 0.500 CA 1.318 21 residues pruned to eliminate duplicates Z: 6 2.429 1.706 -0.028 0.753 1.000 0.600 CB 0.523 Z: 8 4.326 1.498 0.434 0.403 1.000 0.714 CB 0.843 8 residues pruned to eliminate duplicates Z: 15 11.647 1.835 0.292 0.525 0.929 0.643 CA 1.379 15 residues pruned to eliminate duplicates 6 1.659 1.610 0.023 0.382 0.800 0.600 CB 0.638 ? Z: 20 12.154 1.874 0.334 0.537 0.947 0.632 CB 1.135 20 residues pruned to eliminate duplicates Z: 12 12.240 1.795 0.518 0.555 1.000 0.545 CA 1.284 10 residues pruned to eliminate duplicates Z: 22 26.001 1.882 0.583 0.922 0.952 0.619 CB 1.407 22 residues pruned to eliminate duplicates Z: 10 10.297 1.757 0.853 0.611 0.889 0.778 CB 1.067 10 residues pruned to eliminate duplicates Z: 10 4.741 1.687 0.211 0.440 0.778 0.333 CB 1.057 10 residues pruned to eliminate duplicates Z: 6 3.282 1.117 0.485 0.763 1.000 0.600 O 0.701 Z: 29 15.346 1.874 0.327 0.457 0.893 0.500 CA 1.364 28 residues pruned to eliminate duplicates Z: 10 10.991 2.005 0.717 0.410 0.889 0.556 CB 1.316 10 residues pruned to eliminate duplicates Z: 11 4.390 1.452 0.661 0.235 0.800 0.300 CB 0.979 Z: 7 2.322 1.529 0.220 0.395 0.667 0.667 N 0.852 9 residues pruned to eliminate duplicates Z: 15 11.843 1.756 0.642 0.480 0.857 0.500 CB 1.307 15 residues pruned to eliminate duplicates Z: 15 10.346 1.867 0.627 0.401 0.786 0.643 CA 1.285 15 residues pruned to eliminate duplicates Z: 8 3.055 1.340 0.241 0.343 0.714 0.571 N 1.153 Z: 21 16.292 1.906 0.269 0.664 0.950 0.750 CA 1.362 21 residues pruned to eliminate duplicates Z: 6 3.140 1.253 0.113 0.738 0.800 0.800 O 1.017 Z: 31 20.255 2.126 0.495 0.345 0.867 0.500 CB 1.588 31 residues pruned to eliminate duplicates Z: 6 2.333 1.316 0.336 0.289 0.800 0.600 CB 0.941 Z: 7 4.268 1.577 0.412 0.391 0.833 0.500 CA 1.054 Z: 14 18.693 1.883 0.745 0.629 1.000 0.846 CB 1.398 17 residues pruned to eliminate duplicates Z: 7 3.840 1.742 0.365 0.323 0.667 0.333 CB 1.201 Z: 13 4.283 1.569 0.379 0.362 0.667 0.333 CB 0.995 13 residues pruned to eliminate duplicates Z: 46 18.540 1.887 0.347 0.407 0.911 0.400 CB 1.316 46 residues pruned to eliminate duplicates Z: 21 33.564 2.233 0.402 0.864 1.000 0.650 CB 1.757 21 residues pruned to eliminate duplicates Z: 7 4.888 1.443 0.639 0.652 1.000 0.667 CB 0.732 Z: 29 12.862 1.981 0.338 0.312 0.821 0.536 CB 1.374 29 residues pruned to eliminate duplicates 6 1.865 1.389 0.069 0.293 0.600 0.400 CA 1.181 ? Z: 9 2.291 1.317 0.702 0.210 0.625 0.500 CA 0.815 Z: 7 6.097 1.821 -0.070 0.492 1.000 0.667 CB 1.481 Z: 6 2.570 1.510 0.255 0.299 0.800 0.600 CB 0.949 Z: 22 15.367 2.008 0.314 0.558 0.905 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 11 3.793 1.709 0.099 0.231 0.700 0.300 N 1.248 11 residues pruned to eliminate duplicates Z: 8 10.733 1.764 0.311 0.849 1.000 1.000 CB 1.300 8 residues pruned to eliminate duplicates 6 1.436 1.053 0.830 0.379 0.800 0.600 CA 0.474 ? Z: 9 5.740 1.758 0.099 0.494 0.750 0.375 CA 1.409 9 residues pruned to eliminate duplicates Z: 38 23.442 2.011 0.390 0.585 0.919 0.541 CA 1.383 38 residues pruned to eliminate duplicates Z: 18 12.635 2.047 0.480 0.210 0.882 0.529 CA 1.615 18 residues pruned to eliminate duplicates Z: 7 9.715 1.710 0.446 0.685 1.000 0.667 CB 1.353 7 residues pruned to eliminate duplicates Z: 7 3.900 1.742 0.171 0.317 0.833 0.333 CA 1.147 7 residues pruned to eliminate duplicates Z: 8 3.834 1.470 0.049 0.363 1.000 0.571 CA 1.089 Z: 9 12.126 1.649 0.643 0.720 1.000 0.375 CA 1.298 9 residues pruned to eliminate duplicates Z: 13 7.419 1.739 0.524 0.503 0.833 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 33 23.872 2.097 0.511 0.475 0.906 0.594 CB 1.507 33 residues pruned to eliminate duplicates Z: 6 3.654 1.373 0.535 0.580 0.800 0.600 CA 0.897 Z: 7 8.065 1.855 0.568 0.701 0.833 0.833 CB 1.131 7 residues pruned to eliminate duplicates Z: 8 6.174 1.864 0.448 0.647 0.857 0.286 CB 0.879 8 residues pruned to eliminate duplicates Z: 6 5.643 1.378 0.941 0.567 1.000 0.600 CB 0.884 Z: 12 9.378 1.555 0.326 0.806 0.909 0.636 CA 1.155 12 residues pruned to eliminate duplicates Z: 6 3.341 1.268 0.414 0.398 1.000 0.600 CA 0.928 Z: 22 13.990 1.925 0.454 0.383 1.000 0.571 CB 1.234 24 residues pruned to eliminate duplicates Z: 7 4.138 1.389 0.763 0.514 0.833 0.500 CA 0.816 Z: 6 5.806 1.618 0.144 0.819 1.000 0.800 C 1.064 6 residues pruned to eliminate duplicates 6 1.357 1.491 0.514 0.408 0.400 0.400 O 0.740 ? Z: 9 3.796 1.476 0.425 0.282 0.750 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 7 2.682 1.590 0.434 0.320 0.667 0.500 N 0.878 Z: 24 17.535 2.093 0.548 0.414 0.826 0.391 CA 1.494 24 residues pruned to eliminate duplicates Z: 15 12.775 1.873 0.554 0.841 0.643 0.429 CA 1.361 15 residues pruned to eliminate duplicates Z: 8 2.633 1.295 0.880 0.312 0.714 0.429 CA 0.704 Z: 8 2.626 1.524 0.509 0.473 0.714 0.571 CA 0.621 8 residues pruned to eliminate duplicates Z: 18 12.171 1.883 0.340 0.428 0.941 0.529 CB 1.339 18 residues pruned to eliminate duplicates Z: 42 20.500 1.865 0.599 0.446 0.854 0.512 CB 1.329 42 residues pruned to eliminate duplicates Z: 6 2.716 1.291 0.483 0.299 0.800 0.600 CB 0.993 Z: 11 6.267 1.633 0.282 0.440 0.800 0.300 CA 1.259 7 residues pruned to eliminate duplicates Z: 18 26.694 2.007 0.773 0.870 0.882 0.176 CB 1.505 18 residues pruned to eliminate duplicates Z: 27 18.797 2.096 0.625 0.324 0.885 0.538 CB 1.485 27 residues pruned to eliminate duplicates 6 1.581 1.437 0.233 0.295 0.600 0.400 CB 0.836 ? Z: 16 6.709 1.757 0.379 0.267 0.800 0.333 CB 1.166 16 residues pruned to eliminate duplicates Z: 11 12.659 1.909 0.439 0.641 1.000 0.900 CA 1.277 11 residues pruned to eliminate duplicates Z: 14 11.455 1.782 0.604 0.461 0.923 0.692 CB 1.252 12 residues pruned to eliminate duplicates Z: 20 14.629 1.883 0.687 0.390 0.895 0.474 CB 1.326 20 residues pruned to eliminate duplicates Z: 19 9.635 1.773 0.474 0.358 0.833 0.500 CB 1.215 19 residues pruned to eliminate duplicates Z: 11 10.869 1.878 0.490 0.431 0.900 0.600 CA 1.465 11 residues pruned to eliminate duplicates Z: 19 14.255 1.902 0.501 0.432 0.944 0.444 CB 1.337 20 residues pruned to eliminate duplicates 7 1.884 1.219 0.336 0.251 0.833 0.333 N 0.755 ? Z: 30 18.353 2.100 0.590 0.384 0.793 0.517 CA 1.455 30 residues pruned to eliminate duplicates Z: 7 3.160 1.188 0.249 0.396 1.000 0.500 N 0.970 Z: 6 2.438 1.772 0.028 0.774 0.800 0.800 CB 0.587 6 residues pruned to eliminate duplicates Z: 11 11.395 1.980 0.269 0.536 0.900 0.600 CA 1.538 11 residues pruned to eliminate duplicates Z: 6 2.067 1.502 0.337 0.295 0.800 0.400 CB 0.723 Z: 9 3.984 1.426 0.397 0.398 0.750 0.625 N 1.050 9 residues pruned to eliminate duplicates Z: 8 6.302 1.498 0.551 0.608 0.857 0.714 CB 1.079 8 residues pruned to eliminate duplicates Z: 6 2.763 1.170 0.416 0.381 0.800 0.800 C 1.058 Z: 32 21.214 1.921 0.581 0.463 0.903 0.516 CA 1.442 40 residues pruned to eliminate duplicates Z: 8 8.937 1.548 0.647 0.519 1.000 0.143 N 1.299 8 residues pruned to eliminate duplicates Z: 6 3.878 1.752 0.655 0.346 0.600 0.600 CB 1.179 Z: 11 3.662 1.539 0.087 0.607 0.900 0.700 CB 0.695 Z: 7 3.866 1.305 0.686 0.597 0.833 0.667 CB 0.784 Z: 10 5.098 1.743 0.300 0.376 0.889 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 7 6.793 1.791 0.206 0.676 1.000 0.667 CA 1.091 7 residues pruned to eliminate duplicates Z: 12 6.328 1.746 0.257 0.387 0.909 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 7 6.437 1.753 0.051 0.844 1.000 0.667 N 1.062 Z: 17 13.729 1.883 0.929 0.505 0.812 0.562 CB 1.157 17 residues pruned to eliminate duplicates Z: 15 6.625 1.790 0.273 0.428 0.714 0.500 CB 1.172 15 residues pruned to eliminate duplicates Z: 10 2.993 1.506 0.189 0.179 0.778 0.444 CB 1.055 Z: 22 17.811 2.013 0.366 0.573 0.952 0.667 CB 1.383 22 residues pruned to eliminate duplicates Z: 27 13.387 1.897 0.361 0.392 0.962 0.538 CB 1.186 27 residues pruned to eliminate duplicates Z: 6 2.898 1.542 0.264 0.406 0.800 0.400 CB 0.917 Z: 34 18.685 1.836 0.460 0.442 0.939 0.576 CA 1.372 34 residues pruned to eliminate duplicates Z: 9 10.581 1.806 0.314 0.619 1.000 0.625 CB 1.409 9 residues pruned to eliminate duplicates Z: 6 2.135 1.367 0.277 0.453 0.800 0.400 CB 0.718 Z: 7 6.317 1.783 0.482 0.619 0.833 0.333 CA 1.046 7 residues pruned to eliminate duplicates 6 1.080 1.251 -0.046 0.404 0.800 0.600 N 0.560 ? Z: 6 2.113 1.201 0.428 0.723 0.600 0.200 CB 0.751 Z: 18 11.287 1.909 0.508 0.396 0.765 0.588 CB 1.388 18 residues pruned to eliminate duplicates 6 1.670 1.195 0.314 0.298 0.600 0.400 CA 0.994 ? Z: 10 6.080 1.636 0.168 0.536 0.778 0.667 CA 1.317 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 6.942 1.476 0.651 0.316 0.923 0.385 CB 1.049 13 residues pruned to eliminate duplicates Z: 6 2.201 1.449 0.355 0.167 1.000 0.200 CB 0.751 6 residues pruned to eliminate duplicates Z: 8 7.633 1.792 0.607 0.438 1.000 0.429 CB 1.068 8 residues pruned to eliminate duplicates Z: 12 11.077 1.826 0.664 0.510 1.000 0.545 CB 1.088 13 residues pruned to eliminate duplicates Z: 7 6.007 1.343 0.642 0.513 1.000 0.667 N 1.098 7 residues pruned to eliminate duplicates Z: 8 10.113 1.864 0.570 0.606 1.000 0.571 CB 1.180 8 residues pruned to eliminate duplicates Z: 12 7.301 1.684 0.810 0.415 0.818 0.455 CB 0.965 12 residues pruned to eliminate duplicates Z: 10 6.887 1.725 0.702 0.480 0.778 0.667 CB 1.026 10 residues pruned to eliminate duplicates Z: 12 8.416 1.844 0.620 0.454 0.818 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 8 10.328 1.847 0.868 0.644 0.857 0.714 CB 1.154 8 residues pruned to eliminate duplicates Z: 6 7.678 1.940 0.538 0.574 0.800 0.400 CB 1.339 6 residues pruned to eliminate duplicates Z: 7 4.215 1.633 0.220 0.692 0.833 0.500 CA 0.870 7 residues pruned to eliminate duplicates Z: 7 5.120 1.756 0.435 0.358 1.000 0.500 CB 0.967 7 residues pruned to eliminate duplicates Z: 56 24.233 1.943 0.440 0.471 0.909 0.509 CB 1.323 56 residues pruned to eliminate duplicates Z: 54 22.502 1.954 0.360 0.450 0.925 0.509 CB 1.325 54 residues pruned to eliminate duplicates Z: 6 3.679 1.602 0.210 0.288 1.000 0.800 CA 1.077 6 residues pruned to eliminate duplicates Z: 52 25.995 1.985 0.486 0.478 0.922 0.549 CB 1.369 52 residues pruned to eliminate duplicates Z: 40 20.682 1.953 0.359 0.399 0.923 0.513 CA 1.504 40 residues pruned to eliminate duplicates Z: 60 23.430 1.919 0.417 0.431 0.915 0.407 CB 1.317 60 residues pruned to eliminate duplicates Z: 6 3.575 1.842 0.235 0.484 0.600 0.200 CB 1.190 6 residues pruned to eliminate duplicates Z: 51 27.616 1.992 0.423 0.483 0.960 0.640 CB 1.461 51 residues pruned to eliminate duplicates Z: 53 23.175 1.976 0.392 0.431 0.923 0.519 CB 1.359 53 residues pruned to eliminate duplicates Z: 42 22.289 1.978 0.370 0.459 0.951 0.659 CB 1.407 42 residues pruned to eliminate duplicates Z: 43 23.598 1.980 0.419 0.471 0.952 0.548 CA 1.402 43 residues pruned to eliminate duplicates Z: 42 21.664 1.974 0.376 0.484 0.951 0.659 CB 1.330 42 residues pruned to eliminate duplicates Z: 39 21.816 1.974 0.403 0.481 0.947 0.579 CB 1.375 39 residues pruned to eliminate duplicates Z: 52 22.722 1.961 0.357 0.411 0.941 0.431 CB 1.395 52 residues pruned to eliminate duplicates Z: 59 25.128 1.966 0.365 0.468 0.914 0.586 CA 1.390 59 residues pruned to eliminate duplicates Z: 49 21.343 1.947 0.415 0.421 0.875 0.479 CB 1.388 49 residues pruned to eliminate duplicates Z: 43 19.902 1.958 0.342 0.430 0.905 0.571 CA 1.388 43 residues pruned to eliminate duplicates Z: 26 19.282 2.100 0.288 0.519 0.960 0.640 CB 1.457 27 residues pruned to eliminate duplicates Z: 6 6.138 1.698 0.315 0.436 1.000 1.000 N 1.314 6 residues pruned to eliminate duplicates Z: 13 14.947 2.033 0.574 0.599 0.917 0.667 CB 1.338 13 residues pruned to eliminate duplicates Z: 30 19.496 2.033 0.450 0.479 0.931 0.483 CA 1.348 30 residues pruned to eliminate duplicates Z: 13 16.270 2.028 0.705 0.605 0.917 0.583 CB 1.342 13 residues pruned to eliminate duplicates Z: 12 8.665 1.994 0.291 0.433 0.909 0.455 CA 1.196 12 residues pruned to eliminate duplicates Z: 26 15.156 2.066 0.266 0.483 0.920 0.560 CA 1.281 26 residues pruned to eliminate duplicates Z: 44 21.849 1.916 0.502 0.466 0.907 0.674 CB 1.321 44 residues pruned to eliminate duplicates Z: 12 9.889 1.796 0.724 0.395 0.818 0.545 CA 1.314 11 residues pruned to eliminate duplicates Z: 7 6.744 1.762 0.520 0.668 1.000 0.500 CA 0.880 7 residues pruned to eliminate duplicates Z: 12 8.709 1.876 0.468 0.287 0.909 0.364 CB 1.333 12 residues pruned to eliminate duplicates Z: 7 7.453 1.837 0.464 0.679 0.833 0.500 CA 1.152 7 residues pruned to eliminate duplicates Z: 11 8.639 1.923 0.564 0.428 0.800 0.200 CB 1.224 11 residues pruned to eliminate duplicates Z: 10 6.379 1.729 0.608 0.466 0.778 0.556 CA 1.018 10 residues pruned to eliminate duplicates Z: 12 10.591 1.880 0.551 0.396 0.909 0.455 CB 1.344 12 residues pruned to eliminate duplicates Z: 6 4.626 1.809 0.338 0.364 0.800 0.400 CA 1.236 5 residues pruned to eliminate duplicates Z: 12 11.523 1.776 0.514 0.519 1.000 0.636 CB 1.269 13 residues pruned to eliminate duplicates Z: 8 6.574 1.634 0.889 0.497 0.714 0.429 CA 1.130 8 residues pruned to eliminate duplicates Z: 10 7.400 1.882 0.710 0.298 0.889 0.333 CA 1.080 10 residues pruned to eliminate duplicates Z: 12 12.431 1.868 0.583 0.433 1.000 0.545 CA 1.358 11 residues pruned to eliminate duplicates Z: 8 9.213 1.620 0.678 0.615 1.000 0.286 CB 1.149 8 residues pruned to eliminate duplicates Z: 12 13.041 1.881 0.621 0.434 1.000 0.455 CB 1.380 13 residues pruned to eliminate duplicates Z: 8 6.296 1.979 0.075 0.596 0.714 0.143 CB 1.429 8 residues pruned to eliminate duplicates Z: 7 5.936 1.830 0.434 0.517 0.667 0.333 CB 1.363 7 residues pruned to eliminate duplicates Z: 8 10.972 1.766 0.413 0.732 1.000 0.286 CB 1.349 8 residues pruned to eliminate duplicates Z: 7 10.612 1.957 0.437 0.679 1.000 0.000 CA 1.306 7 residues pruned to eliminate duplicates Z: 27 16.789 1.940 0.452 0.453 0.923 0.538 CB 1.329 27 residues pruned to eliminate duplicates Z: 25 16.494 1.943 0.462 0.507 0.875 0.708 CA 1.345 25 residues pruned to eliminate duplicates Z: 21 15.209 1.915 0.621 0.401 0.900 0.500 CB 1.350 20 residues pruned to eliminate duplicates Z: 6 7.292 2.019 0.300 0.445 1.000 0.400 CB 1.315 6 residues pruned to eliminate duplicates Z: 28 14.650 1.869 0.334 0.465 0.926 0.519 CA 1.267 28 residues pruned to eliminate duplicates Z: 25 16.568 1.928 0.367 0.496 0.958 0.542 CA 1.344 26 residues pruned to eliminate duplicates Z: 6 3.964 1.669 0.327 0.298 0.800 0.600 CB 1.254 6 residues pruned to eliminate duplicates Z: 27 18.749 1.937 0.473 0.506 0.923 0.615 CA 1.387 27 residues pruned to eliminate duplicates Z: 6 4.588 1.708 0.284 0.367 1.000 0.600 CA 1.079 6 residues pruned to eliminate duplicates Z: 13 8.244 1.873 0.351 0.401 0.750 0.667 CB 1.391 13 residues pruned to eliminate duplicates Z: 22 13.795 1.936 0.440 0.408 0.905 0.571 CB 1.314 22 residues pruned to eliminate duplicates Z: 27 11.848 1.824 0.558 0.354 0.731 0.385 CB 1.311 27 residues pruned to eliminate duplicates Z: 17 8.300 1.887 0.161 0.398 0.875 0.562 CB 1.205 17 residues pruned to eliminate duplicates Z: 24 10.056 1.891 0.403 0.348 0.739 0.478 CB 1.261 24 residues pruned to eliminate duplicates Z: 20 9.444 1.782 0.470 0.415 0.789 0.526 CB 1.144 20 residues pruned to eliminate duplicates Z: 17 8.696 1.862 0.413 0.416 0.750 0.438 CB 1.203 17 residues pruned to eliminate duplicates Z: 33 16.756 1.926 0.572 0.368 0.812 0.438 CB 1.387 33 residues pruned to eliminate duplicates Z: 33 12.230 1.828 0.501 0.356 0.719 0.406 CB 1.281 33 residues pruned to eliminate duplicates Z: 25 11.778 1.928 0.356 0.395 0.750 0.458 CB 1.369 25 residues pruned to eliminate duplicates Z: 41 15.136 1.815 0.612 0.391 0.750 0.450 CB 1.224 41 residues pruned to eliminate duplicates Z: 12 6.921 1.871 0.609 0.305 0.727 0.273 CA 1.184 12 residues pruned to eliminate duplicates Z: 33 14.788 1.930 0.441 0.373 0.781 0.562 CA 1.377 33 residues pruned to eliminate duplicates Z: 37 18.618 1.961 0.497 0.403 0.833 0.472 CB 1.405 43 residues pruned to eliminate duplicates Z: 8 6.897 1.593 0.606 0.505 0.857 0.429 CA 1.183 8 residues pruned to eliminate duplicates Z: 18 9.098 1.811 0.258 0.386 0.824 0.529 CB 1.327 18 residues pruned to eliminate duplicates Z: 32 23.252 2.079 0.314 0.640 0.968 0.677 CA 1.386 32 residues pruned to eliminate duplicates Z: 28 30.984 2.079 0.608 0.729 1.000 0.778 CA 1.452 28 residues pruned to eliminate duplicates Z: 52 31.665 2.041 0.436 0.639 0.922 0.686 CA 1.440 52 residues pruned to eliminate duplicates Z: 38 21.944 1.981 0.412 0.577 0.919 0.730 CA 1.303 38 residues pruned to eliminate duplicates Z: 71 38.011 2.069 0.527 0.559 0.929 0.586 CA 1.464 71 residues pruned to eliminate duplicates Z: 55 34.009 2.056 0.509 0.608 0.926 0.574 CA 1.454 55 residues pruned to eliminate duplicates Z: 25 26.034 2.119 0.556 0.709 0.917 0.750 CA 1.455 25 residues pruned to eliminate duplicates Z: 28 22.950 2.104 0.309 0.664 0.926 0.741 CA 1.488 28 residues pruned to eliminate duplicates Z: 19 14.896 2.085 0.433 0.467 0.944 0.611 CA 1.287 19 residues pruned to eliminate duplicates Z: 53 38.493 2.114 0.531 0.629 0.981 0.654 CA 1.489 53 residues pruned to eliminate duplicates Z: 53 19.961 1.943 0.270 0.469 0.846 0.519 CA 1.368 53 residues pruned to eliminate duplicates Z: 81 39.550 2.097 0.459 0.542 0.913 0.613 CA 1.520 81 residues pruned to eliminate duplicates Z: 18 23.902 2.020 0.405 0.922 1.000 0.882 CA 1.437 18 residues pruned to eliminate duplicates Z: 50 31.951 2.103 0.422 0.653 0.918 0.694 CA 1.441 50 residues pruned to eliminate duplicates Z: 74 36.029 2.083 0.422 0.580 0.890 0.589 CA 1.481 74 residues pruned to eliminate duplicates Z: 50 37.119 2.125 0.515 0.663 0.980 0.673 CA 1.446 50 residues pruned to eliminate duplicates Z: 35 23.117 1.962 0.283 0.638 0.941 0.676 CA 1.470 35 residues pruned to eliminate duplicates Z: 50 32.488 2.090 0.505 0.657 0.939 0.633 CA 1.359 50 residues pruned to eliminate duplicates Z: 36 24.650 2.050 0.368 0.618 0.914 0.657 CA 1.453 36 residues pruned to eliminate duplicates Z: 50 34.878 2.113 0.534 0.667 0.898 0.633 CA 1.468 50 residues pruned to eliminate duplicates Z: 83 39.501 2.076 0.552 0.531 0.927 0.610 CA 1.417 83 residues pruned to eliminate duplicates Z: 82 37.752 2.088 0.416 0.557 0.914 0.593 CA 1.470 82 residues pruned to eliminate duplicates Z: 49 34.670 2.124 0.593 0.673 0.875 0.646 CA 1.442 49 residues pruned to eliminate duplicates Z: 40 34.898 2.102 0.543 0.717 0.949 0.641 CB 1.493 40 residues pruned to eliminate duplicates Z: 53 33.055 2.077 0.512 0.611 0.923 0.577 CA 1.424 53 residues pruned to eliminate duplicates Z: 29 23.881 2.054 0.525 0.634 0.929 0.714 CA 1.369 29 residues pruned to eliminate duplicates Z: 35 24.854 2.049 0.461 0.599 0.941 0.588 CA 1.376 35 residues pruned to eliminate duplicates Z: 46 29.583 2.053 0.437 0.620 0.889 0.578 CA 1.502 46 residues pruned to eliminate duplicates Z: 76 36.125 2.099 0.452 0.544 0.893 0.507 CA 1.468 76 residues pruned to eliminate duplicates Z: 52 32.353 2.081 0.595 0.612 0.863 0.471 CA 1.422 52 residues pruned to eliminate duplicates Z: 61 35.187 2.078 0.471 0.589 0.950 0.550 CA 1.436 61 residues pruned to eliminate duplicates Z: 26 21.245 2.015 0.559 0.541 0.960 0.440 CB 1.353 26 residues pruned to eliminate duplicates Z: 27 24.857 2.065 0.553 0.654 0.923 0.500 CB 1.427 27 residues pruned to eliminate duplicates Z: 25 23.180 2.075 0.461 0.621 0.917 0.625 CA 1.519 25 residues pruned to eliminate duplicates Z: 23 23.129 2.084 0.526 0.595 0.955 0.455 CB 1.484 23 residues pruned to eliminate duplicates Z: 48 27.633 2.064 0.553 0.487 0.872 0.426 CA 1.460 48 residues pruned to eliminate duplicates Z: 28 23.542 1.987 0.555 0.552 0.963 0.630 CA 1.447 28 residues pruned to eliminate duplicates Z: 53 37.815 2.088 0.607 0.596 0.981 0.615 CA 1.454 53 residues pruned to eliminate duplicates Z: 72 37.167 2.089 0.556 0.553 0.901 0.423 CA 1.429 72 residues pruned to eliminate duplicates Z: 20 13.940 1.901 0.472 0.552 0.895 0.632 CB 1.214 20 residues pruned to eliminate duplicates Z: 26 20.384 1.929 0.513 0.560 1.000 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 22 21.825 2.064 0.440 0.634 0.952 0.619 CB 1.483 22 residues pruned to eliminate duplicates Z: 38 28.776 2.053 0.430 0.652 0.973 0.486 CA 1.438 38 residues pruned to eliminate duplicates Z: 58 33.807 2.075 0.412 0.603 0.912 0.579 CB 1.519 58 residues pruned to eliminate duplicates Z: 22 16.780 1.989 0.395 0.616 0.857 0.476 CA 1.380 22 residues pruned to eliminate duplicates Z: 49 30.335 2.080 0.544 0.504 0.896 0.542 CA 1.516 49 residues pruned to eliminate duplicates Z: 22 19.831 2.041 0.518 0.617 0.905 0.524 CB 1.382 22 residues pruned to eliminate duplicates Z: 49 39.132 2.098 0.510 0.664 0.979 0.667 CA 1.565 49 residues pruned to eliminate duplicates Z: 42 27.032 2.081 0.566 0.484 0.878 0.512 CA 1.500 42 residues pruned to eliminate duplicates Z: 30 23.334 2.089 0.616 0.456 0.931 0.621 CA 1.442 30 residues pruned to eliminate duplicates Z: 30 25.482 2.113 0.632 0.436 0.966 0.414 CA 1.518 30 residues pruned to eliminate duplicates Z: 73 38.774 2.090 0.561 0.541 0.889 0.556 CA 1.513 73 residues pruned to eliminate duplicates Z: 42 26.273 2.097 0.519 0.426 0.902 0.390 CB 1.543 42 residues pruned to eliminate duplicates Z: 45 27.699 2.098 0.602 0.447 0.886 0.523 CB 1.481 45 residues pruned to eliminate duplicates Z: 73 38.115 2.081 0.573 0.533 0.889 0.514 CA 1.494 73 residues pruned to eliminate duplicates Z: 40 27.078 2.086 0.654 0.448 0.923 0.385 CB 1.436 40 residues pruned to eliminate duplicates Z: 73 41.194 2.102 0.599 0.566 0.944 0.542 CA 1.435 73 residues pruned to eliminate duplicates Z: 22 16.011 2.103 0.562 0.435 0.810 0.476 CA 1.406 22 residues pruned to eliminate duplicates Z: 44 25.777 2.049 0.528 0.431 0.907 0.442 CB 1.486 44 residues pruned to eliminate duplicates Z: 26 14.725 1.959 0.615 0.372 0.760 0.440 CA 1.405 26 residues pruned to eliminate duplicates Z: 24 18.668 2.078 0.656 0.439 0.826 0.522 CA 1.458 24 residues pruned to eliminate duplicates Z: 6 3.766 1.455 0.724 0.365 0.800 0.800 CA 0.969 6 residues pruned to eliminate duplicates Z: 19 14.352 2.076 0.563 0.338 0.778 0.389 CA 1.600 19 residues pruned to eliminate duplicates Z: 42 24.640 2.073 0.494 0.442 0.878 0.439 CB 1.501 42 residues pruned to eliminate duplicates Z: 24 15.698 2.019 0.554 0.403 0.783 0.478 CB 1.475 24 residues pruned to eliminate duplicates Z: 29 21.926 2.110 0.616 0.418 0.857 0.429 CA 1.545 29 residues pruned to eliminate duplicates Z: 29 22.157 2.129 0.525 0.428 0.929 0.500 CA 1.498 29 residues pruned to eliminate duplicates Z: 33 20.626 2.049 0.550 0.410 0.875 0.500 CA 1.443 33 residues pruned to eliminate duplicates Z: 83 38.310 2.086 0.470 0.526 0.915 0.573 CA 1.471 83 residues pruned to eliminate duplicates Z: 84 36.684 2.075 0.503 0.522 0.880 0.530 CA 1.436 84 residues pruned to eliminate duplicates Z: 25 12.627 2.004 0.406 0.423 0.750 0.500 CA 1.321 25 residues pruned to eliminate duplicates Z: 48 28.845 2.078 0.489 0.457 0.936 0.426 CA 1.518 48 residues pruned to eliminate duplicates Z: 29 16.925 2.055 0.477 0.338 0.929 0.429 CA 1.354 29 residues pruned to eliminate duplicates 6 1.799 1.540 0.086 0.100 0.800 0.600 CA 1.003 ? Z: 11 6.919 1.908 0.874 0.201 0.800 0.300 CB 1.092 11 residues pruned to eliminate duplicates Z: 16 6.776 1.712 0.695 0.159 0.800 0.333 CA 1.144 16 residues pruned to eliminate duplicates Z: 16 7.816 1.770 0.524 0.159 0.867 0.467 CB 1.309 16 residues pruned to eliminate duplicates Z: 15 9.609 1.753 0.815 0.212 0.857 0.357 CA 1.322 15 residues pruned to eliminate duplicates Z: 8 6.951 1.963 0.564 0.208 1.000 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 11 4.651 1.852 0.233 0.118 0.800 0.600 CA 1.303 11 residues pruned to eliminate duplicates Z: 17 7.215 1.741 0.454 0.185 0.875 0.312 CA 1.189 15 residues pruned to eliminate duplicates Z: 13 6.378 1.854 0.532 0.262 0.667 0.583 CA 1.275 13 residues pruned to eliminate duplicates Z: 30 13.372 1.917 0.479 0.291 0.828 0.552 CA 1.337 30 residues pruned to eliminate duplicates Z: 32 15.754 1.977 0.494 0.335 0.839 0.581 CA 1.368 34 residues pruned to eliminate duplicates Z: 41 13.636 1.820 0.449 0.319 0.800 0.575 CB 1.248 41 residues pruned to eliminate duplicates Z: 13 9.864 1.881 0.764 0.267 0.833 0.500 CA 1.343 13 residues pruned to eliminate duplicates Z: 31 13.040 1.934 0.409 0.364 0.767 0.567 CA 1.319 31 residues pruned to eliminate duplicates Z: 35 17.278 1.941 0.585 0.371 0.853 0.529 CB 1.298 36 residues pruned to eliminate duplicates Z: 46 18.254 1.945 0.410 0.354 0.822 0.533 CB 1.414 46 residues pruned to eliminate duplicates Z: 20 9.431 1.969 0.106 0.382 0.789 0.474 CB 1.427 20 residues pruned to eliminate duplicates Z: 24 9.709 1.876 0.402 0.218 0.870 0.609 CA 1.234 24 residues pruned to eliminate duplicates Z: 30 15.349 1.960 0.514 0.343 0.862 0.552 CA 1.321 30 residues pruned to eliminate duplicates Z: 43 16.374 1.953 0.367 0.305 0.833 0.405 CA 1.411 43 residues pruned to eliminate duplicates Z: 29 13.509 1.985 0.406 0.298 0.857 0.357 CB 1.338 29 residues pruned to eliminate duplicates Z: 25 11.995 1.934 0.300 0.404 0.833 0.417 CB 1.293 25 residues pruned to eliminate duplicates Z: 18 14.898 2.062 0.429 0.472 0.824 0.529 CA 1.531 18 residues pruned to eliminate duplicates Z: 43 17.589 1.929 0.449 0.351 0.833 0.548 CB 1.369 43 residues pruned to eliminate duplicates Z: 33 15.486 1.949 0.327 0.421 0.875 0.594 CB 1.313 33 residues pruned to eliminate duplicates Z: 10 6.254 1.917 0.129 0.423 0.667 0.222 CB 1.565 10 residues pruned to eliminate duplicates Z: 8 5.498 1.970 -0.021 0.519 0.714 0.286 CB 1.480 8 residues pruned to eliminate duplicates Z: 24 11.545 1.897 0.253 0.420 0.870 0.391 CB 1.266 24 residues pruned to eliminate duplicates Z: 6 3.066 1.825 0.357 0.251 0.600 0.200 CB 1.228 Z: 45 17.797 1.950 0.453 0.354 0.864 0.523 CB 1.283 45 residues pruned to eliminate duplicates Z: 43 19.559 1.951 0.384 0.408 0.905 0.667 CB 1.360 43 residues pruned to eliminate duplicates Z: 22 10.966 1.865 0.481 0.409 0.810 0.619 CB 1.177 22 residues pruned to eliminate duplicates Z: 16 12.164 1.851 0.519 0.436 0.933 0.600 CB 1.279 16 residues pruned to eliminate duplicates Z: 44 17.284 1.957 0.419 0.355 0.791 0.512 CB 1.404 44 residues pruned to eliminate duplicates Z: 13 12.168 1.964 0.318 0.477 1.000 0.500 CB 1.389 13 residues pruned to eliminate duplicates Z: 52 20.354 1.905 0.389 0.393 0.902 0.529 CB 1.337 52 residues pruned to eliminate duplicates Z: 23 12.139 1.915 0.333 0.401 0.773 0.500 CB 1.455 23 residues pruned to eliminate duplicates Z: 14 12.190 1.884 0.458 0.499 1.000 0.538 CB 1.232 14 residues pruned to eliminate duplicates Z: 15 10.994 1.894 0.390 0.477 0.857 0.500 CB 1.332 15 residues pruned to eliminate duplicates Z: 19 10.450 1.887 0.301 0.415 0.889 0.611 CB 1.233 19 residues pruned to eliminate duplicates Z: 25 12.582 1.917 0.335 0.453 0.917 0.667 CB 1.148 25 residues pruned to eliminate duplicates Z: 25 13.065 1.880 0.252 0.436 0.875 0.417 CB 1.384 25 residues pruned to eliminate duplicates Z: 14 10.463 1.932 0.231 0.406 1.000 0.538 CB 1.347 14 residues pruned to eliminate duplicates Z: 28 10.475 1.828 0.293 0.378 0.852 0.630 CB 1.141 28 residues pruned to eliminate duplicates Z: 29 12.834 1.891 0.319 0.452 0.857 0.607 CB 1.192 29 residues pruned to eliminate duplicates Z: 25 11.921 1.871 0.465 0.406 0.792 0.500 CB 1.237 25 residues pruned to eliminate duplicates Z: 8 5.564 1.852 0.508 0.521 0.714 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 8 4.620 1.781 0.456 0.382 1.000 0.571 CB 0.763 8 residues pruned to eliminate duplicates Z: 10 6.858 1.783 0.646 0.304 0.778 0.222 CB 1.246 10 residues pruned to eliminate duplicates Z: 10 4.237 1.711 0.589 0.262 0.667 0.222 CA 1.023 10 residues pruned to eliminate duplicates Z: 30 11.517 1.862 0.251 0.351 0.828 0.414 CB 1.303 30 residues pruned to eliminate duplicates Z: 30 18.742 1.979 0.543 0.432 0.897 0.517 CB 1.365 31 residues pruned to eliminate duplicates Z: 20 13.695 1.916 0.650 0.396 0.895 0.684 CB 1.240 20 residues pruned to eliminate duplicates Z: 20 12.841 1.969 0.372 0.393 0.947 0.579 CB 1.289 23 residues pruned to eliminate duplicates Z: 15 17.196 1.931 0.721 0.532 1.000 0.714 CB 1.340 15 residues pruned to eliminate duplicates Z: 41 17.612 1.961 0.357 0.387 0.875 0.525 CB 1.350 41 residues pruned to eliminate duplicates Z: 14 14.506 2.044 0.636 0.435 0.923 0.615 CB 1.395 14 residues pruned to eliminate duplicates Z: 52 17.957 1.906 0.431 0.391 0.824 0.608 CB 1.256 52 residues pruned to eliminate duplicates Z: 14 14.397 1.927 0.582 0.523 0.923 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 18 15.094 1.960 0.528 0.475 0.882 0.529 CB 1.421 18 residues pruned to eliminate duplicates Z: 21 13.073 1.926 0.415 0.389 0.900 0.500 CB 1.339 21 residues pruned to eliminate duplicates Z: 19 15.153 1.819 0.629 0.421 0.944 0.500 CB 1.386 19 residues pruned to eliminate duplicates Z: 22 15.474 1.968 0.434 0.376 0.952 0.524 CB 1.435 22 residues pruned to eliminate duplicates Z: 21 11.634 1.896 0.339 0.354 0.900 0.600 CB 1.333 21 residues pruned to eliminate duplicates Z: 17 13.064 1.940 0.364 0.396 1.000 0.500 CB 1.378 17 residues pruned to eliminate duplicates Z: 30 15.148 2.002 0.419 0.403 0.828 0.586 CB 1.324 31 residues pruned to eliminate duplicates 6 1.813 1.390 0.562 0.358 0.800 0.400 N 0.544 ? Z: 7 7.269 1.689 0.638 0.357 1.000 0.500 C 1.251 Z: 6 2.247 1.788 0.099 0.321 0.600 0.600 CA 1.039 6 residues pruned to eliminate duplicates Z: 76 47.556 2.171 0.631 0.578 0.960 0.613 CB 1.498 76 residues pruned to eliminate duplicates Z: 43 35.827 2.129 0.596 0.647 0.976 0.738 CA 1.453 43 residues pruned to eliminate duplicates Z: 73 52.256 2.195 0.815 0.552 0.958 0.583 CB 1.534 80 residues pruned to eliminate duplicates Z: 23 32.891 2.266 0.555 0.817 0.955 0.773 CB 1.583 23 residues pruned to eliminate duplicates Z: 46 36.172 2.143 0.569 0.636 0.978 0.711 CA 1.443 46 residues pruned to eliminate duplicates Z: 46 36.411 2.175 0.483 0.681 0.956 0.689 CB 1.491 46 residues pruned to eliminate duplicates Z: 42 37.412 2.109 0.759 0.652 0.951 0.683 CA 1.437 42 residues pruned to eliminate duplicates Z: 82 49.722 2.144 0.706 0.552 0.951 0.630 CB 1.510 82 residues pruned to eliminate duplicates Z: 69 49.194 2.200 0.692 0.586 0.985 0.618 CB 1.497 69 residues pruned to eliminate duplicates Z: 34 30.493 2.175 0.588 0.664 0.879 0.606 CA 1.502 34 residues pruned to eliminate duplicates Z: 81 43.636 2.143 0.612 0.547 0.938 0.625 CB 1.439 81 residues pruned to eliminate duplicates Z: 30 41.513 2.245 0.839 0.740 0.966 0.759 CA 1.560 30 residues pruned to eliminate duplicates Z: 69 47.374 2.180 0.693 0.579 0.956 0.588 CA 1.508 69 residues pruned to eliminate duplicates Z: 44 38.931 2.204 0.628 0.661 0.953 0.605 CA 1.495 44 residues pruned to eliminate duplicates Z: 30 43.395 2.247 0.923 0.736 0.966 0.724 CA 1.563 30 residues pruned to eliminate duplicates Z: 86 53.570 2.169 0.724 0.542 0.976 0.529 CB 1.526 85 residues pruned to eliminate duplicates Z: 21 51.523 2.325 1.079 0.895 0.950 0.650 CB 1.798 21 residues pruned to eliminate duplicates Z: 65 44.810 2.178 0.711 0.594 0.953 0.562 CB 1.441 65 residues pruned to eliminate duplicates Z: 74 52.558 2.191 0.732 0.590 0.945 0.630 CB 1.574 74 residues pruned to eliminate duplicates Z: 47 37.837 2.181 0.570 0.660 0.957 0.652 CB 1.469 47 residues pruned to eliminate duplicates Z: 85 50.218 2.173 0.691 0.558 0.952 0.583 CB 1.480 85 residues pruned to eliminate duplicates Z: 74 50.770 2.185 0.687 0.578 0.945 0.562 CB 1.581 74 residues pruned to eliminate duplicates Z: 51 47.045 2.199 0.717 0.663 0.980 0.620 CA 1.546 51 residues pruned to eliminate duplicates Z: 41 44.844 2.229 0.707 0.724 0.975 0.700 CA 1.562 41 residues pruned to eliminate duplicates Z: 43 35.271 2.130 0.742 0.632 0.881 0.571 CA 1.470 43 residues pruned to eliminate duplicates Z: 42 41.629 2.221 0.679 0.697 0.951 0.634 CA 1.531 42 residues pruned to eliminate duplicates Z: 43 45.777 2.203 0.829 0.692 0.952 0.524 CB 1.544 43 residues pruned to eliminate duplicates Z: 26 24.493 2.126 0.722 0.502 0.920 0.520 CB 1.452 26 residues pruned to eliminate duplicates Z: 43 41.083 2.172 0.751 0.663 0.976 0.548 CA 1.468 43 residues pruned to eliminate duplicates Z: 42 42.936 2.220 0.713 0.712 0.976 0.561 CA 1.491 42 residues pruned to eliminate duplicates Z: 17 9.822 2.051 0.157 0.575 0.812 0.500 CB 1.185 17 residues pruned to eliminate duplicates Z: 56 31.053 2.093 0.672 0.557 0.800 0.400 CB 1.415 56 residues pruned to eliminate duplicates Z: 68 43.980 2.175 0.660 0.565 0.940 0.478 CB 1.486 68 residues pruned to eliminate duplicates Z: 76 46.124 2.137 0.685 0.548 0.960 0.520 CB 1.470 76 residues pruned to eliminate duplicates Z: 68 47.575 2.194 0.712 0.565 0.970 0.537 CB 1.498 68 residues pruned to eliminate duplicates Z: 76 41.508 2.144 0.684 0.542 0.907 0.560 CB 1.405 76 residues pruned to eliminate duplicates Z: 75 47.262 2.148 0.604 0.569 0.973 0.581 CB 1.533 75 residues pruned to eliminate duplicates Z: 75 53.078 2.207 0.840 0.583 0.932 0.473 CB 1.506 75 residues pruned to eliminate duplicates Z: 75 43.921 2.150 0.708 0.501 0.905 0.486 CB 1.534 75 residues pruned to eliminate duplicates Z: 75 51.556 2.194 0.765 0.570 0.959 0.541 CB 1.507 75 residues pruned to eliminate duplicates Z: 76 45.552 2.161 0.727 0.553 0.907 0.440 CB 1.476 76 residues pruned to eliminate duplicates Z: 44 29.731 2.171 0.574 0.492 0.930 0.512 CB 1.438 44 residues pruned to eliminate duplicates Z: 74 44.760 2.188 0.658 0.574 0.890 0.479 CB 1.510 74 residues pruned to eliminate duplicates Z: 72 41.229 2.162 0.644 0.557 0.887 0.493 CB 1.468 72 residues pruned to eliminate duplicates Z: 36 25.076 2.174 0.496 0.522 0.943 0.457 CB 1.353 36 residues pruned to eliminate duplicates Z: 43 25.042 2.122 0.545 0.443 0.929 0.452 CB 1.347 43 residues pruned to eliminate duplicates Z: 31 18.444 2.059 0.492 0.323 0.933 0.467 CB 1.427 31 residues pruned to eliminate duplicates Z: 55 43.364 2.224 0.543 0.628 0.981 0.574 CB 1.553 55 residues pruned to eliminate duplicates Z: 58 36.329 2.154 0.729 0.549 0.860 0.474 CB 1.432 58 residues pruned to eliminate duplicates Z: 21 16.790 2.050 0.736 0.371 0.900 0.550 CB 1.347 21 residues pruned to eliminate duplicates Z: 23 21.437 2.098 0.783 0.438 0.909 0.545 CB 1.434 23 residues pruned to eliminate duplicates Z: 31 28.196 2.182 0.789 0.405 0.900 0.600 CB 1.619 31 residues pruned to eliminate duplicates Z: 17 10.458 2.054 0.607 0.284 0.875 0.562 CB 1.155 17 residues pruned to eliminate duplicates Z: 22 12.464 2.055 0.361 0.268 0.952 0.429 CB 1.330 22 residues pruned to eliminate duplicates Z: 24 20.631 2.158 0.702 0.345 0.957 0.348 CB 1.448 24 residues pruned to eliminate duplicates Z: 67 47.879 2.209 0.722 0.575 0.939 0.561 CB 1.534 67 residues pruned to eliminate duplicates Z: 23 14.373 1.961 0.570 0.317 0.864 0.409 CB 1.410 23 residues pruned to eliminate duplicates Z: 23 21.470 2.108 0.650 0.535 0.864 0.591 CB 1.473 23 residues pruned to eliminate duplicates Z: 24 22.093 2.081 0.789 0.449 0.957 0.609 CB 1.364 24 residues pruned to eliminate duplicates Z: 33 29.380 2.139 0.907 0.402 0.906 0.500 CB 1.558 34 residues pruned to eliminate duplicates Z: 11 12.208 1.725 0.535 0.732 1.000 0.700 CB 1.184 11 residues pruned to eliminate duplicates Z: 43 30.322 2.133 0.642 0.489 0.905 0.548 CB 1.493 43 residues pruned to eliminate duplicates Z: 75 51.184 2.166 0.797 0.572 0.973 0.486 CB 1.466 75 residues pruned to eliminate duplicates Z: 10 12.514 1.685 0.685 0.796 0.889 0.556 CA 1.276 12 residues pruned to eliminate duplicates Z: 8 16.111 1.939 0.824 0.814 0.857 0.429 CB 1.529 8 residues pruned to eliminate duplicates Z: 8 3.386 1.504 0.255 0.273 0.714 0.429 O 1.228 Z: 11 6.524 1.805 0.317 0.556 0.600 0.300 CB 1.370 19 residues pruned to eliminate duplicates Z: 8 4.463 1.779 0.019 0.382 0.714 0.143 C 1.477 8 residues pruned to eliminate duplicates Z: 31 16.173 1.926 0.420 0.421 0.800 0.500 CA 1.466 31 residues pruned to eliminate duplicates Z: 23 11.932 1.807 0.616 0.362 0.818 0.364 CB 1.235 23 residues pruned to eliminate duplicates Z: 18 11.280 1.888 0.518 0.424 0.824 0.294 CA 1.254 18 residues pruned to eliminate duplicates Z: 30 19.572 1.934 0.539 0.463 0.897 0.621 CA 1.415 30 residues pruned to eliminate duplicates Z: 31 17.828 1.902 0.380 0.489 0.867 0.567 CA 1.447 31 residues pruned to eliminate duplicates Z: 30 10.829 1.718 0.424 0.358 0.724 0.310 CB 1.323 30 residues pruned to eliminate duplicates Z: 20 13.909 1.946 0.588 0.389 0.842 0.368 CA 1.379 20 residues pruned to eliminate duplicates Z: 28 14.841 1.918 0.306 0.492 0.926 0.556 CA 1.242 28 residues pruned to eliminate duplicates Z: 20 11.857 1.789 0.296 0.462 0.842 0.316 CA 1.448 20 residues pruned to eliminate duplicates Z: 14 10.936 1.874 0.335 0.411 1.000 0.385 CA 1.331 14 residues pruned to eliminate duplicates Z: 34 15.479 1.821 0.439 0.419 0.848 0.576 CA 1.320 34 residues pruned to eliminate duplicates Z: 20 11.484 1.861 0.586 0.357 0.842 0.421 CA 1.236 20 residues pruned to eliminate duplicates Z: 32 17.111 1.907 0.427 0.448 0.871 0.548 CA 1.367 32 residues pruned to eliminate duplicates Z: 7 2.984 1.506 0.812 0.364 0.833 0.833 CA 0.620 7 residues pruned to eliminate duplicates Z: 29 16.698 1.933 0.428 0.443 0.893 0.500 CA 1.357 29 residues pruned to eliminate duplicates Z: 17 13.284 1.914 0.411 0.495 0.938 0.625 CA 1.318 17 residues pruned to eliminate duplicates Z: 34 19.481 1.859 0.538 0.461 0.879 0.515 CA 1.404 34 residues pruned to eliminate duplicates Z: 34 18.334 1.854 0.438 0.435 0.909 0.424 CA 1.407 34 residues pruned to eliminate duplicates Z: 7 6.282 1.394 0.746 0.457 1.000 0.167 C 1.101 5 residues pruned to eliminate duplicates Z: 7 5.239 1.740 0.495 0.522 0.833 0.667 CA 0.965 18 residues pruned to eliminate duplicates Z: 6 5.715 1.762 0.498 0.379 0.800 0.200 CA 1.376 6 residues pruned to eliminate duplicates Z: 31 21.655 1.990 0.594 0.503 0.900 0.467 CB 1.381 22 residues pruned to eliminate duplicates Z: 6 4.744 1.402 0.966 0.378 1.000 0.800 N 0.877 Z: 48 30.731 2.039 0.632 0.588 0.851 0.617 CB 1.455 48 residues pruned to eliminate duplicates Z: 48 36.168 2.087 0.617 0.575 0.915 0.723 CB 1.590 48 residues pruned to eliminate duplicates Z: 30 19.072 2.026 0.707 0.364 0.862 0.586 CA 1.375 30 residues pruned to eliminate duplicates Z: 39 28.237 2.083 0.647 0.506 0.868 0.500 CA 1.528 39 residues pruned to eliminate duplicates Z: 65 34.193 1.989 0.554 0.562 0.922 0.562 CB 1.412 56 residues pruned to eliminate duplicates Z: 6 5.396 1.683 0.772 0.473 1.000 0.600 CA 0.831 6 residues pruned to eliminate duplicates Z: 26 16.290 1.966 0.560 0.462 0.800 0.480 CB 1.380 26 residues pruned to eliminate duplicates Z: 37 27.189 2.034 0.487 0.599 0.889 0.639 CB 1.533 37 residues pruned to eliminate duplicates Z: 30 28.658 2.042 0.693 0.618 0.931 0.621 CA 1.478 30 residues pruned to eliminate duplicates Z: 35 30.354 2.010 0.542 0.719 0.941 0.676 CB 1.464 35 residues pruned to eliminate duplicates Z: 36 28.771 1.998 0.671 0.634 0.914 0.686 CB 1.405 36 residues pruned to eliminate duplicates Z: 38 26.116 1.978 0.618 0.585 0.865 0.622 CB 1.429 38 residues pruned to eliminate duplicates Z: 32 29.003 2.058 0.549 0.696 0.968 0.710 CB 1.413 32 residues pruned to eliminate duplicates Z: 24 19.850 2.071 0.507 0.583 0.913 0.565 CB 1.341 24 residues pruned to eliminate duplicates Z: 44 39.359 2.069 0.711 0.618 0.977 0.651 CB 1.552 44 residues pruned to eliminate duplicates Z: 35 30.718 2.002 0.656 0.651 1.000 0.647 CB 1.380 35 residues pruned to eliminate duplicates Z: 23 30.062 2.056 0.599 0.790 1.000 0.818 CB 1.512 23 residues pruned to eliminate duplicates Z: 68 34.296 1.974 0.497 0.601 0.940 0.687 CB 1.370 68 residues pruned to eliminate duplicates Z: 34 30.010 1.983 0.594 0.688 0.970 0.818 CA 1.434 34 residues pruned to eliminate duplicates Z: 32 26.159 1.970 0.640 0.666 0.935 0.742 CB 1.333 32 residues pruned to eliminate duplicates Z: 25 27.099 2.017 0.499 0.750 0.958 0.833 CB 1.527 25 residues pruned to eliminate duplicates Z: 63 38.261 1.990 0.697 0.570 0.952 0.613 CB 1.414 59 residues pruned to eliminate duplicates Z: 14 27.660 2.158 0.533 0.907 1.000 0.846 CA 1.649 14 residues pruned to eliminate duplicates Z: 33 20.354 1.898 0.617 0.542 0.906 0.719 CB 1.241 33 residues pruned to eliminate duplicates Z: 64 35.533 1.950 0.791 0.531 0.937 0.556 CB 1.328 64 residues pruned to eliminate duplicates Z: 48 37.848 1.915 0.707 0.712 1.000 0.723 CB 1.393 48 residues pruned to eliminate duplicates Z: 30 28.554 2.110 0.600 0.668 0.931 0.517 CB 1.443 30 residues pruned to eliminate duplicates Z: 50 32.909 1.998 0.611 0.670 0.898 0.592 CB 1.390 50 residues pruned to eliminate duplicates Z: 29 27.723 2.101 0.691 0.709 0.893 0.571 CB 1.366 29 residues pruned to eliminate duplicates Z: 36 30.743 2.021 0.752 0.644 0.886 0.514 CB 1.448 36 residues pruned to eliminate duplicates Z: 43 25.327 1.910 0.620 0.568 0.905 0.524 CB 1.307 43 residues pruned to eliminate duplicates Z: 65 37.364 1.995 0.616 0.579 0.938 0.641 CB 1.431 65 residues pruned to eliminate duplicates Z: 34 25.437 2.058 0.524 0.619 0.879 0.424 CB 1.435 34 residues pruned to eliminate duplicates Z: 64 36.495 2.026 0.528 0.618 0.937 0.635 CB 1.419 64 residues pruned to eliminate duplicates Z: 40 25.991 1.971 0.603 0.616 0.897 0.538 CB 1.315 40 residues pruned to eliminate duplicates Z: 36 27.171 2.028 0.497 0.645 0.943 0.600 CB 1.401 36 residues pruned to eliminate duplicates Z: 23 18.611 1.827 0.654 0.610 0.955 0.500 CA 1.239 23 residues pruned to eliminate duplicates Z: 20 17.628 1.901 0.537 0.683 0.947 0.579 CB 1.235 20 residues pruned to eliminate duplicates Z: 64 38.101 2.047 0.589 0.585 0.937 0.571 CB 1.452 64 residues pruned to eliminate duplicates Z: 51 31.926 1.993 0.578 0.678 0.940 0.640 CB 1.297 51 residues pruned to eliminate duplicates Z: 18 19.012 1.934 0.546 0.747 1.000 0.706 CB 1.237 17 residues pruned to eliminate duplicates Z: 10 17.558 1.887 0.548 0.912 1.000 0.778 CA 1.419 Z: 55 35.908 2.010 0.597 0.586 0.944 0.611 CB 1.483 25 residues pruned to eliminate duplicates Z: 11 14.618 1.828 0.307 0.900 1.000 0.800 CA 1.383 11 residues pruned to eliminate duplicates Z: 53 26.501 1.960 0.362 0.534 0.923 0.538 CB 1.443 53 residues pruned to eliminate duplicates Z: 47 15.207 1.851 0.351 0.333 0.870 0.478 CB 1.238 48 residues pruned to eliminate duplicates Z: 6 6.488 1.899 0.330 0.385 1.000 0.600 CA 1.297 6 residues pruned to eliminate duplicates Z: 29 12.834 1.892 0.272 0.392 0.964 0.536 CB 1.172 29 residues pruned to eliminate duplicates Z: 29 14.461 1.918 0.296 0.384 0.964 0.500 CB 1.289 29 residues pruned to eliminate duplicates Z: 27 14.079 1.954 0.326 0.371 0.962 0.615 CB 1.273 27 residues pruned to eliminate duplicates Z: 29 14.660 1.926 0.301 0.401 1.000 0.607 CB 1.226 29 residues pruned to eliminate duplicates Z: 29 12.096 1.919 0.344 0.360 0.893 0.607 CB 1.155 29 residues pruned to eliminate duplicates Z: 28 12.715 1.902 0.259 0.374 0.889 0.630 CB 1.316 28 residues pruned to eliminate duplicates Z: 13 8.627 1.879 0.488 0.382 0.833 0.583 CB 1.212 13 residues pruned to eliminate duplicates Z: 27 13.263 1.942 0.338 0.351 0.923 0.462 CB 1.275 27 residues pruned to eliminate duplicates Z: 30 13.723 1.894 0.383 0.400 0.931 0.586 CB 1.161 30 residues pruned to eliminate duplicates Z: 30 14.999 1.938 0.454 0.407 0.931 0.724 CB 1.171 30 residues pruned to eliminate duplicates Z: 24 12.794 1.885 0.363 0.360 0.913 0.435 CB 1.324 24 residues pruned to eliminate duplicates Z: 28 11.991 1.825 0.401 0.369 0.889 0.444 CB 1.168 28 residues pruned to eliminate duplicates Z: 28 12.446 1.906 0.312 0.347 0.889 0.556 CB 1.273 28 residues pruned to eliminate duplicates Z: 28 11.771 1.914 0.205 0.350 0.889 0.593 CB 1.299 28 residues pruned to eliminate duplicates Z: 28 14.343 1.892 0.358 0.373 0.926 0.630 CB 1.329 28 residues pruned to eliminate duplicates Z: 27 12.590 1.974 0.188 0.360 0.962 0.615 CB 1.274 27 residues pruned to eliminate duplicates Z: 30 11.201 1.923 0.288 0.381 0.828 0.586 CB 1.152 30 residues pruned to eliminate duplicates Z: 28 13.058 1.903 0.253 0.426 0.926 0.481 CB 1.229 28 residues pruned to eliminate duplicates Z: 29 15.187 1.926 0.352 0.404 0.964 0.500 CB 1.264 29 residues pruned to eliminate duplicates Z: 29 12.253 1.950 0.244 0.350 0.964 0.571 CB 1.164 29 residues pruned to eliminate duplicates Z: 29 9.878 1.868 0.255 0.323 0.821 0.536 CB 1.177 26 residues pruned to eliminate duplicates Z: 7 4.783 1.510 0.431 0.375 1.000 0.333 CA 1.032 Z: 6 5.259 1.903 -0.027 0.456 1.000 0.800 CA 1.328 Z: 6 4.197 1.673 0.438 0.327 0.800 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 9 16.452 1.972 0.595 0.680 1.000 0.750 CA 1.567 10 residues pruned to eliminate duplicates Z: 6 4.886 1.800 0.551 0.328 0.800 0.200 CA 1.182 6 residues pruned to eliminate duplicates Z: 12 14.903 2.095 0.490 0.534 0.909 0.545 CA 1.531 12 residues pruned to eliminate duplicates Z: 11 18.871 2.204 0.481 0.574 1.000 0.500 CB 1.702 11 residues pruned to eliminate duplicates Z: 10 23.453 2.245 0.682 0.659 1.000 0.667 CB 1.787 13 residues pruned to eliminate duplicates Z: 11 17.332 2.154 0.438 0.543 1.000 0.600 CB 1.698 11 residues pruned to eliminate duplicates Z: 42 20.097 1.948 0.268 0.464 0.927 0.634 CB 1.422 42 residues pruned to eliminate duplicates Z: 41 22.790 1.977 0.433 0.466 0.925 0.600 CB 1.425 39 residues pruned to eliminate duplicates Z: 42 19.826 1.980 0.293 0.457 0.902 0.634 CB 1.400 42 residues pruned to eliminate duplicates Z: 25 15.829 1.995 0.240 0.481 0.958 0.708 CA 1.390 25 residues pruned to eliminate duplicates Z: 38 19.860 1.994 0.330 0.479 0.919 0.568 CB 1.369 38 residues pruned to eliminate duplicates Z: 50 18.945 1.980 0.284 0.408 0.857 0.510 CB 1.368 50 residues pruned to eliminate duplicates Z: 29 15.384 1.847 0.303 0.463 1.000 0.607 CA 1.254 29 residues pruned to eliminate duplicates Z: 25 19.018 1.951 0.475 0.533 0.917 0.667 CA 1.423 27 residues pruned to eliminate duplicates Z: 52 21.162 1.982 0.255 0.397 0.922 0.549 CB 1.441 52 residues pruned to eliminate duplicates Z: 47 19.968 1.899 0.302 0.451 0.935 0.587 CB 1.339 47 residues pruned to eliminate duplicates Z: 23 12.152 1.923 0.407 0.317 0.909 0.636 CB 1.289 23 residues pruned to eliminate duplicates Z: 47 21.076 1.960 0.380 0.405 0.870 0.609 CB 1.461 43 residues pruned to eliminate duplicates Z: 44 19.671 1.923 0.419 0.372 0.907 0.605 CB 1.390 44 residues pruned to eliminate duplicates Z: 25 9.844 1.863 0.479 0.217 0.833 0.417 CB 1.220 25 residues pruned to eliminate duplicates Z: 23 10.385 1.908 0.574 0.276 0.818 0.545 CB 1.161 23 residues pruned to eliminate duplicates Z: 30 14.744 1.882 0.439 0.395 0.897 0.414 CB 1.259 30 residues pruned to eliminate duplicates Z: 11 6.534 1.761 0.278 0.371 0.800 0.500 CB 1.317 11 residues pruned to eliminate duplicates Z: 15 7.391 2.025 0.152 0.298 0.786 0.500 CB 1.350 15 residues pruned to eliminate duplicates Z: 22 7.623 1.886 0.338 0.289 0.762 0.476 CB 1.097 22 residues pruned to eliminate duplicates Z: 20 9.411 1.829 0.347 0.319 0.895 0.474 CB 1.195 20 residues pruned to eliminate duplicates Z: 15 10.122 1.954 0.493 0.289 0.857 0.500 CB 1.372 15 residues pruned to eliminate duplicates Z: 14 13.612 2.036 0.443 0.370 0.923 0.538 CB 1.599 14 residues pruned to eliminate duplicates Z: 26 8.468 1.786 0.500 0.273 0.840 0.400 CB 0.974 26 residues pruned to eliminate duplicates Z: 15 10.914 1.955 0.444 0.360 0.857 0.429 CB 1.402 15 residues pruned to eliminate duplicates Z: 17 8.752 1.926 0.474 0.270 0.750 0.375 CB 1.334 17 residues pruned to eliminate duplicates Z: 27 14.830 1.930 0.416 0.416 0.885 0.538 CB 1.313 27 residues pruned to eliminate duplicates Z: 18 11.995 1.985 0.243 0.324 0.941 0.412 CB 1.519 18 residues pruned to eliminate duplicates Z: 20 10.757 1.896 0.387 0.381 0.842 0.579 CB 1.266 20 residues pruned to eliminate duplicates Z: 19 9.800 1.861 0.277 0.401 0.833 0.444 CA 1.296 26 residues pruned to eliminate duplicates Z: 11 19.041 2.069 0.719 0.601 1.000 0.900 CA 1.538 11 residues pruned to eliminate duplicates Z: 20 11.838 1.878 0.494 0.391 0.895 0.526 CB 1.214 20 residues pruned to eliminate duplicates Z: 25 13.288 1.953 0.537 0.396 0.792 0.417 CB 1.274 25 residues pruned to eliminate duplicates Z: 59 22.855 1.895 0.568 0.381 0.862 0.466 CB 1.329 54 residues pruned to eliminate duplicates Z: 18 15.023 1.971 0.702 0.340 0.882 0.353 CB 1.465 18 residues pruned to eliminate duplicates Z: 19 9.365 1.838 0.520 0.301 0.778 0.444 CA 1.268 23 residues pruned to eliminate duplicates Z: 6 4.370 1.564 0.208 0.419 1.000 0.400 CB 1.125 6 residues pruned to eliminate duplicates Z: 24 12.839 1.929 0.422 0.303 0.870 0.391 CA 1.397 24 residues pruned to eliminate duplicates Z: 16 10.478 1.946 0.362 0.411 0.933 0.667 CB 1.201 16 residues pruned to eliminate duplicates Z: 14 10.674 1.953 0.417 0.469 0.923 0.615 CB 1.196 14 residues pruned to eliminate duplicates Z: 15 10.761 1.955 0.400 0.476 0.857 0.571 CA 1.255 15 residues pruned to eliminate duplicates Z: 14 8.450 1.864 0.565 0.365 0.769 0.615 CA 1.208 14 residues pruned to eliminate duplicates Z: 15 10.462 1.897 0.443 0.440 0.857 0.643 CA 1.269 15 residues pruned to eliminate duplicates Z: 14 7.267 1.786 0.651 0.303 0.846 0.615 CA 1.006 14 residues pruned to eliminate duplicates Z: 11 6.559 2.001 0.292 0.335 0.900 0.600 CB 1.067 11 residues pruned to eliminate duplicates Z: 14 6.871 1.944 0.169 0.333 0.846 0.615 CB 1.189 14 residues pruned to eliminate duplicates Z: 14 6.750 1.946 0.389 0.283 0.692 0.462 N 1.278 14 residues pruned to eliminate duplicates Z: 21 12.757 1.820 0.484 0.344 0.950 0.450 CB 1.318 21 residues pruned to eliminate duplicates Z: 22 12.315 2.024 0.526 0.372 0.762 0.381 CA 1.310 22 residues pruned to eliminate duplicates Z: 15 10.426 1.903 0.334 0.442 0.929 0.500 N 1.254 15 residues pruned to eliminate duplicates Z: 29 15.748 2.027 0.464 0.370 0.786 0.429 CA 1.467 29 residues pruned to eliminate duplicates Z: 28 17.495 2.005 0.502 0.413 0.889 0.519 CB 1.377 28 residues pruned to eliminate duplicates Z: 28 13.935 2.045 0.489 0.330 0.741 0.407 CB 1.433 28 residues pruned to eliminate duplicates Z: 22 10.956 1.906 0.705 0.300 0.810 0.429 CA 1.137 22 residues pruned to eliminate duplicates Z: 34 16.396 2.000 0.388 0.371 0.879 0.455 CB 1.342 34 residues pruned to eliminate duplicates Z: 34 16.588 2.057 0.416 0.323 0.818 0.394 CB 1.473 34 residues pruned to eliminate duplicates Z: 24 10.870 1.950 0.375 0.324 0.739 0.391 CB 1.388 24 residues pruned to eliminate duplicates Z: 29 16.620 2.000 0.435 0.415 0.857 0.464 CB 1.395 29 residues pruned to eliminate duplicates Z: 19 9.288 1.953 0.282 0.346 0.722 0.222 CB 1.431 19 residues pruned to eliminate duplicates Z: 14 7.794 2.128 0.282 0.295 0.692 0.385 CB 1.440 14 residues pruned to eliminate duplicates Z: 12 9.547 2.140 0.447 0.325 0.818 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 13 9.901 2.087 0.381 0.355 0.833 0.417 CB 1.392 13 residues pruned to eliminate duplicates Z: 22 10.552 1.937 0.383 0.342 0.810 0.333 CB 1.261 22 residues pruned to eliminate duplicates Z: 55 20.545 1.982 0.401 0.357 0.870 0.389 CB 1.350 55 residues pruned to eliminate duplicates Z: 35 13.757 1.976 0.363 0.344 0.794 0.324 CB 1.307 35 residues pruned to eliminate duplicates Z: 21 11.249 2.022 0.465 0.286 0.700 0.350 CB 1.542 21 residues pruned to eliminate duplicates Z: 67 23.642 1.958 0.324 0.443 0.848 0.500 CB 1.403 67 residues pruned to eliminate duplicates Z: 11 10.050 2.066 0.450 0.349 0.800 0.400 CA 1.561 11 residues pruned to eliminate duplicates Z: 46 23.132 1.994 0.380 0.504 0.867 0.578 CB 1.440 46 residues pruned to eliminate duplicates Z: 32 26.171 2.011 0.353 0.628 0.903 0.774 CB 1.695 32 residues pruned to eliminate duplicates Z: 35 16.647 2.032 0.421 0.358 0.765 0.471 CA 1.507 35 residues pruned to eliminate duplicates Z: 35 18.187 2.013 0.504 0.309 0.824 0.441 CB 1.546 35 residues pruned to eliminate duplicates Z: 10 15.335 2.086 0.844 0.381 0.889 0.444 N 1.697 10 residues pruned to eliminate duplicates Z: 11 9.642 1.975 0.414 0.342 0.800 0.500 N 1.620 11 residues pruned to eliminate duplicates Z: 80 25.740 1.933 0.313 0.409 0.899 0.405 CB 1.397 80 residues pruned to eliminate duplicates Z: 28 23.482 2.027 0.365 0.562 0.926 0.704 CB 1.662 28 residues pruned to eliminate duplicates Z: 21 16.736 1.933 0.461 0.573 1.000 0.750 CB 1.234 21 residues pruned to eliminate duplicates Z: 42 20.528 1.910 0.441 0.462 0.854 0.488 CB 1.418 42 residues pruned to eliminate duplicates Z: 29 18.624 1.957 0.406 0.467 0.857 0.536 CB 1.544 29 residues pruned to eliminate duplicates Z: 67 28.274 1.986 0.468 0.469 0.833 0.530 CB 1.478 67 residues pruned to eliminate duplicates Z: 19 16.091 1.959 0.714 0.590 0.889 0.444 CB 1.165 19 residues pruned to eliminate duplicates Z: 40 17.485 2.022 0.349 0.381 0.821 0.436 CB 1.420 40 residues pruned to eliminate duplicates Z: 21 18.395 1.973 0.487 0.671 0.950 0.700 CB 1.260 21 residues pruned to eliminate duplicates Z: 26 18.612 1.917 0.421 0.611 0.920 0.640 CB 1.337 26 residues pruned to eliminate duplicates Z: 21 14.301 1.889 0.396 0.653 0.900 0.550 CB 1.168 21 residues pruned to eliminate duplicates Z: 21 19.826 1.985 0.447 0.713 0.950 0.700 CB 1.339 21 residues pruned to eliminate duplicates Z: 45 22.790 2.031 0.405 0.475 0.886 0.500 CB 1.394 45 residues pruned to eliminate duplicates Z: 13 16.253 2.099 0.626 0.628 1.000 0.333 CB 1.220 13 residues pruned to eliminate duplicates Z: 37 22.588 2.102 0.613 0.373 0.806 0.389 CB 1.578 37 residues pruned to eliminate duplicates Z: 15 15.313 2.156 0.563 0.551 0.714 0.357 CB 1.618 15 residues pruned to eliminate duplicates Z: 27 19.406 1.963 0.455 0.506 0.808 0.423 CA 1.641 27 residues pruned to eliminate duplicates Z: 25 10.875 1.946 0.341 0.456 0.625 0.250 CB 1.424 25 residues pruned to eliminate duplicates Z: 26 19.317 1.988 0.527 0.474 0.840 0.560 CA 1.555 26 residues pruned to eliminate duplicates Z: 25 18.852 1.950 0.536 0.486 0.833 0.500 CB 1.564 25 residues pruned to eliminate duplicates Z: 31 19.497 1.958 0.498 0.447 0.800 0.533 CB 1.602 31 residues pruned to eliminate duplicates Z: 14 8.336 1.929 0.592 0.350 0.615 0.231 CA 1.440 14 residues pruned to eliminate duplicates Z: 51 23.004 2.061 0.476 0.395 0.780 0.460 CB 1.531 51 residues pruned to eliminate duplicates Z: 8 5.635 1.866 0.147 0.563 0.714 0.429 CB 1.310 8 residues pruned to eliminate duplicates Z: 47 23.443 2.094 0.591 0.380 0.783 0.522 CB 1.506 47 residues pruned to eliminate duplicates Z: 49 29.680 2.071 0.607 0.442 0.854 0.562 CB 1.600 49 residues pruned to eliminate duplicates Z: 30 23.057 2.158 0.617 0.376 0.897 0.621 CB 1.562 30 residues pruned to eliminate duplicates Z: 38 17.271 1.994 0.534 0.346 0.784 0.514 CB 1.400 38 residues pruned to eliminate duplicates Z: 33 23.443 2.149 0.618 0.426 0.844 0.562 CB 1.525 33 residues pruned to eliminate duplicates Z: 34 24.535 2.106 0.695 0.436 0.879 0.636 CB 1.455 34 residues pruned to eliminate duplicates Z: 48 26.352 2.002 0.563 0.423 0.830 0.532 CB 1.603 48 residues pruned to eliminate duplicates Z: 24 12.462 1.950 0.663 0.262 0.826 0.348 CB 1.272 24 residues pruned to eliminate duplicates Z: 60 30.563 2.089 0.528 0.433 0.864 0.475 CB 1.546 60 residues pruned to eliminate duplicates Z: 14 14.630 2.142 0.493 0.343 1.000 0.538 CA 1.505 14 residues pruned to eliminate duplicates Z: 27 18.137 2.161 0.533 0.333 0.808 0.538 CA 1.595 27 residues pruned to eliminate duplicates Z: 33 21.718 2.141 0.538 0.385 0.875 0.438 CB 1.507 33 residues pruned to eliminate duplicates Z: 29 19.781 2.091 0.645 0.349 0.821 0.536 CA 1.558 29 residues pruned to eliminate duplicates Z: 31 20.715 2.141 0.586 0.306 0.867 0.467 CB 1.594 31 residues pruned to eliminate duplicates Z: 22 15.020 2.220 0.550 0.291 0.810 0.571 CB 1.487 22 residues pruned to eliminate duplicates Z: 29 23.412 2.195 0.553 0.428 0.929 0.607 CB 1.506 29 residues pruned to eliminate duplicates Z: 24 17.987 2.180 0.593 0.358 0.870 0.522 CB 1.448 24 residues pruned to eliminate duplicates Z: 50 26.794 2.088 0.597 0.404 0.796 0.510 CB 1.596 50 residues pruned to eliminate duplicates Z: 28 23.844 2.121 0.643 0.393 0.926 0.519 CB 1.592 28 residues pruned to eliminate duplicates Z: 55 24.788 1.992 0.528 0.378 0.833 0.519 CB 1.516 55 residues pruned to eliminate duplicates Z: 40 20.583 2.092 0.453 0.420 0.846 0.513 CB 1.394 40 residues pruned to eliminate duplicates Z: 18 15.840 2.005 0.546 0.401 0.824 0.471 CA 1.670 18 residues pruned to eliminate duplicates Z: 49 24.706 2.037 0.542 0.402 0.833 0.458 CB 1.511 49 residues pruned to eliminate duplicates Z: 51 30.569 2.079 0.663 0.476 0.860 0.500 CB 1.490 51 residues pruned to eliminate duplicates Z: 32 22.158 2.142 0.566 0.426 0.871 0.452 CB 1.471 32 residues pruned to eliminate duplicates Z: 33 24.768 2.110 0.642 0.413 0.906 0.469 CB 1.527 33 residues pruned to eliminate duplicates Z: 39 24.398 2.076 0.696 0.394 0.842 0.395 CB 1.493 39 residues pruned to eliminate duplicates Z: 11 12.920 1.974 0.770 0.566 0.800 0.300 CB 1.371 11 residues pruned to eliminate duplicates Z: 7 5.129 1.749 0.273 0.671 0.833 0.833 CB 0.964 7 residues pruned to eliminate duplicates Z: 9 4.191 1.585 0.219 0.450 0.750 0.500 CB 1.076 8 residues pruned to eliminate duplicates Z: 6 3.600 1.301 1.004 0.401 1.000 0.800 CA 0.685 6 residues pruned to eliminate duplicates Z: 16 6.043 1.616 0.552 0.351 0.867 0.533 CB 0.843 16 residues pruned to eliminate duplicates 674 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 6 D: 59 E: 10 F: 12 G: 26 H: 100 I: 147 J: 28 K: 14 L: 63 M: 27 N: 147 O: 11 P: 10 CC for partial structure against native data = 24.60 % ------------------------------------------------------------------------------ Global autotracing cycle 23 = 0.300, Contrast = 0.388, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.546, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.555, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.557, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6719 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1269 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 10.372 1.941 0.263 0.276 0.857 0.476 CB 1.389 B: 20 44.330 2.315 0.822 0.903 1.000 0.842 CB 1.718 C: 22 38.177 2.230 0.592 0.913 1.000 0.905 CB 1.660 20 residues pruned to eliminate duplicates D: 22 38.350 2.208 0.820 0.914 1.000 0.762 CB 1.473 22 residues pruned to eliminate duplicates E: 22 41.227 2.224 0.937 0.908 1.000 0.714 CB 1.482 22 residues pruned to eliminate duplicates F: 17 9.795 1.744 0.351 0.337 0.875 0.438 CB 1.420 G: 7 6.990 1.798 0.164 0.885 0.833 0.667 CB 1.181 H: 19 24.069 2.069 0.432 0.897 1.000 0.667 CA 1.371 I: 16 25.148 2.068 0.681 0.914 0.933 0.733 CA 1.415 19 residues pruned to eliminate duplicates J: 18 8.489 1.883 0.359 0.332 0.706 0.412 CB 1.370 K: 21 25.583 1.997 0.360 0.895 1.000 0.750 CB 1.511 L: 22 41.420 2.240 0.918 0.850 0.952 0.619 CB 1.636 22 residues pruned to eliminate duplicates M: 20 37.936 2.199 0.791 0.918 1.000 0.895 CB 1.559 21 residues pruned to eliminate duplicates N: 20 25.947 2.085 0.351 0.851 1.000 0.737 CA 1.563 16 residues pruned to eliminate duplicates O: 15 23.190 2.112 0.480 0.932 1.000 0.929 CB 1.385 15 residues pruned to eliminate duplicates P: 11 8.219 2.035 0.124 0.587 0.800 0.500 CA 1.307 Q: 12 5.713 1.753 0.106 0.434 0.818 0.364 CB 1.162 R: 22 47.672 2.192 0.993 0.924 1.000 0.810 CB 1.672 22 residues pruned to eliminate duplicates S: 13 6.161 1.680 0.379 0.291 0.833 0.667 CA 1.164 13 residues pruned to eliminate duplicates T: 22 33.354 2.190 0.802 0.914 0.905 0.714 CB 1.442 22 residues pruned to eliminate duplicates U: 33 25.518 2.190 0.489 0.537 0.906 0.469 CB 1.472 V: 22 37.450 2.211 0.714 0.916 1.000 0.952 CB 1.523 22 residues pruned to eliminate duplicates W: 32 24.683 2.142 0.648 0.398 0.903 0.452 CB 1.548 7 residues pruned to eliminate duplicates X: 7 14.748 2.118 0.567 0.844 0.833 0.833 CB 1.620 Y: 11 16.431 1.986 0.551 0.894 1.000 0.800 CB 1.211 Z: 21 27.903 2.024 0.387 0.912 1.000 0.700 CA 1.575 20 residues pruned to eliminate duplicates Z: 22 35.464 2.175 0.618 0.886 1.000 0.857 CB 1.586 22 residues pruned to eliminate duplicates Z: 17 18.158 2.054 0.270 0.846 1.000 0.812 CB 1.293 Z: 7 10.815 1.947 0.058 0.866 1.000 0.833 N 1.570 7 residues pruned to eliminate duplicates Z: 73 41.117 2.149 0.651 0.557 0.903 0.556 CB 1.432 61 residues pruned to eliminate duplicates Z: 11 17.209 2.126 0.463 0.878 1.000 0.800 CB 1.270 10 residues pruned to eliminate duplicates Z: 8 8.923 1.733 0.339 0.874 0.857 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 7 15.412 2.109 0.466 0.817 1.000 0.667 CB 1.545 7 residues pruned to eliminate duplicates Z: 70 43.398 2.174 0.810 0.562 0.870 0.493 CB 1.438 72 residues pruned to eliminate duplicates Z: 85 37.332 2.056 0.532 0.502 0.857 0.536 CA 1.505 33 residues pruned to eliminate duplicates Z: 13 10.598 2.007 0.514 0.345 0.750 0.417 N 1.588 Z: 18 13.977 2.018 0.499 0.329 0.882 0.353 CB 1.531 18 residues pruned to eliminate duplicates Z: 22 41.890 2.229 0.920 0.924 1.000 0.762 CB 1.500 31 residues pruned to eliminate duplicates Z: 17 21.345 2.061 0.475 0.864 0.938 0.875 CB 1.373 17 residues pruned to eliminate duplicates Z: 13 11.074 1.817 0.689 0.445 0.833 0.500 N 1.322 Z: 21 29.550 2.009 0.511 0.936 1.000 1.000 CB 1.516 21 residues pruned to eliminate duplicates Z: 11 9.657 2.008 0.146 0.494 0.900 0.400 CA 1.483 12 residues pruned to eliminate duplicates Z: 10 3.045 1.628 0.685 0.252 0.778 0.444 CB 0.633 10 residues pruned to eliminate duplicates Z: 28 15.263 1.953 0.504 0.411 0.852 0.556 CA 1.289 Z: 11 12.835 2.122 0.402 0.864 1.000 0.800 CB 1.000 11 residues pruned to eliminate duplicates Z: 19 21.601 1.950 0.330 0.906 1.000 0.833 CA 1.396 19 residues pruned to eliminate duplicates Z: 16 18.298 2.116 0.215 0.893 1.000 0.800 CB 1.320 16 residues pruned to eliminate duplicates Z: 21 23.191 2.031 0.263 0.892 1.000 0.750 CA 1.453 21 residues pruned to eliminate duplicates Z: 11 14.866 2.155 0.271 0.838 0.900 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 21 38.704 2.282 0.771 0.869 0.950 0.500 CB 1.646 22 residues pruned to eliminate duplicates Z: 11 14.348 1.742 0.621 0.835 0.900 0.700 CA 1.337 11 residues pruned to eliminate duplicates Z: 29 12.420 1.961 0.373 0.374 0.714 0.536 CB 1.397 29 residues pruned to eliminate duplicates Z: 17 13.168 1.972 0.142 0.902 0.875 0.750 CB 1.192 17 residues pruned to eliminate duplicates Z: 57 23.416 1.966 0.404 0.440 0.893 0.536 CB 1.350 11 residues pruned to eliminate duplicates Z: 17 22.459 2.113 0.329 0.894 0.938 0.688 CA 1.530 17 residues pruned to eliminate duplicates Z: 9 8.791 2.030 0.162 0.450 1.000 0.500 CA 1.388 Z: 19 19.139 1.944 0.432 0.899 0.944 0.833 CB 1.227 19 residues pruned to eliminate duplicates Z: 50 29.501 1.981 0.475 0.573 0.959 0.694 CB 1.402 21 residues pruned to eliminate duplicates Z: 15 14.084 1.931 0.600 0.744 0.857 0.571 CA 1.142 Z: 35 16.837 1.971 0.410 0.418 0.912 0.500 CB 1.241 26 residues pruned to eliminate duplicates Z: 9 15.037 2.172 0.324 0.848 1.000 0.875 CB 1.371 9 residues pruned to eliminate duplicates Z: 24 22.647 2.053 0.562 0.563 0.913 0.522 CB 1.517 24 residues pruned to eliminate duplicates Z: 35 20.988 2.058 0.485 0.441 0.853 0.529 CB 1.467 35 residues pruned to eliminate duplicates Z: 17 11.290 2.033 0.176 0.438 0.938 0.562 CB 1.343 18 residues pruned to eliminate duplicates Z: 18 24.259 2.125 0.316 0.893 1.000 0.647 CA 1.510 18 residues pruned to eliminate duplicates Z: 18 11.280 1.836 0.293 0.376 0.941 0.529 CB 1.398 Z: 39 21.520 1.968 0.348 0.453 1.000 0.684 CB 1.381 41 residues pruned to eliminate duplicates Z: 12 10.193 2.013 0.745 0.326 0.818 0.455 CA 1.295 12 residues pruned to eliminate duplicates Z: 13 10.636 1.959 0.635 0.446 0.750 0.583 CB 1.351 13 residues pruned to eliminate duplicates Z: 26 16.573 1.902 0.474 0.455 0.960 0.600 CB 1.289 22 residues pruned to eliminate duplicates Z: 9 2.547 1.856 -0.043 0.216 0.750 0.625 CB 0.944 Z: 10 11.405 2.018 0.628 0.379 0.889 0.556 CA 1.481 10 residues pruned to eliminate duplicates Z: 10 14.278 2.099 0.308 0.861 1.000 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 15 10.106 2.049 0.285 0.474 0.714 0.571 CA 1.475 15 residues pruned to eliminate duplicates Z: 44 27.795 2.056 0.387 0.605 0.930 0.674 CA 1.446 44 residues pruned to eliminate duplicates Z: 15 9.145 2.018 0.335 0.401 0.714 0.571 CA 1.410 15 residues pruned to eliminate duplicates Z: 6 4.583 1.564 0.402 0.656 0.800 0.800 N 1.011 Z: 35 25.098 2.092 0.670 0.433 0.882 0.559 CB 1.496 32 residues pruned to eliminate duplicates Z: 9 6.991 1.726 0.357 0.614 0.750 0.375 CB 1.263 9 residues pruned to eliminate duplicates Z: 18 18.512 2.124 0.792 0.384 0.824 0.471 CA 1.620 18 residues pruned to eliminate duplicates Z: 26 19.217 2.068 0.305 0.520 1.000 0.520 CA 1.396 25 residues pruned to eliminate duplicates Z: 26 16.758 2.012 0.284 0.582 0.960 0.560 CB 1.249 26 residues pruned to eliminate duplicates Z: 10 18.094 1.753 0.983 0.740 1.000 0.667 CA 1.399 10 residues pruned to eliminate duplicates Z: 22 22.839 1.965 0.311 0.875 0.952 0.667 CA 1.477 22 residues pruned to eliminate duplicates Z: 20 39.669 2.308 0.661 0.902 1.000 0.947 CB 1.693 20 residues pruned to eliminate duplicates Z: 6 6.110 1.821 -0.136 0.776 1.000 1.000 CB 1.361 Z: 11 13.747 1.719 0.444 0.846 1.000 0.700 CA 1.301 11 residues pruned to eliminate duplicates Z: 21 37.898 2.299 0.726 0.871 0.950 0.800 CB 1.641 21 residues pruned to eliminate duplicates Z: 43 18.156 1.925 0.427 0.429 0.881 0.595 CB 1.246 48 residues pruned to eliminate duplicates Z: 31 28.273 2.026 0.501 0.708 1.000 0.667 CB 1.405 36 residues pruned to eliminate duplicates Z: 22 33.344 2.194 0.783 0.878 0.905 0.524 CB 1.492 22 residues pruned to eliminate duplicates Z: 11 8.703 1.945 0.475 0.748 0.800 0.600 CB 0.961 11 residues pruned to eliminate duplicates Z: 22 39.919 2.189 0.838 0.877 1.000 0.619 CB 1.572 22 residues pruned to eliminate duplicates Z: 13 6.521 1.939 0.036 0.449 0.750 0.500 CB 1.316 3 residues pruned to eliminate duplicates Z: 12 12.208 1.930 0.686 0.744 0.727 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 9 5.975 1.625 0.164 0.670 0.750 0.750 CB 1.272 9 residues pruned to eliminate duplicates Z: 13 7.426 1.918 0.188 0.403 0.833 0.583 CB 1.250 Z: 42 20.463 1.935 0.486 0.454 0.854 0.390 CB 1.364 42 residues pruned to eliminate duplicates Z: 29 16.131 1.910 0.489 0.450 0.821 0.571 CA 1.374 16 residues pruned to eliminate duplicates Z: 54 23.460 1.968 0.378 0.434 0.906 0.528 CB 1.405 54 residues pruned to eliminate duplicates Z: 12 8.795 1.755 0.576 0.573 0.818 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 17 20.773 2.061 0.505 0.828 0.875 0.438 CA 1.441 17 residues pruned to eliminate duplicates Z: 16 6.958 1.912 0.251 0.247 0.600 0.467 CA 1.675 16 residues pruned to eliminate duplicates Z: 12 18.010 2.152 0.671 0.917 1.000 0.455 CB 1.066 12 residues pruned to eliminate duplicates Z: 22 38.424 2.228 0.775 0.910 1.000 0.619 CB 1.504 22 residues pruned to eliminate duplicates Z: 17 13.115 1.992 0.079 0.881 0.938 0.875 CA 1.179 17 residues pruned to eliminate duplicates Z: 9 11.682 2.021 0.345 0.794 1.000 0.625 CB 1.174 9 residues pruned to eliminate duplicates Z: 15 13.286 1.835 0.525 0.492 0.929 0.571 CB 1.377 Z: 7 8.599 1.781 0.447 0.642 0.833 0.667 CB 1.431 Z: 7 16.373 2.120 0.653 0.821 1.000 0.500 CB 1.444 7 residues pruned to eliminate duplicates Z: 59 38.091 2.009 0.553 0.645 0.966 0.776 CA 1.450 56 residues pruned to eliminate duplicates Z: 30 14.778 1.926 0.369 0.435 0.828 0.621 CB 1.345 30 residues pruned to eliminate duplicates Z: 14 15.959 1.954 0.482 0.822 0.846 0.538 CB 1.367 14 residues pruned to eliminate duplicates Z: 18 18.940 1.919 0.455 0.694 1.000 0.412 CB 1.379 19 residues pruned to eliminate duplicates Z: 10 4.517 1.823 0.121 0.377 0.667 0.333 CB 1.261 9 residues pruned to eliminate duplicates Z: 10 6.049 1.852 0.455 0.539 0.889 0.667 CB 0.810 10 residues pruned to eliminate duplicates Z: 74 48.989 2.176 0.685 0.584 0.945 0.658 CB 1.527 61 residues pruned to eliminate duplicates Z: 18 15.035 1.887 0.630 0.832 0.824 0.529 CB 1.081 18 residues pruned to eliminate duplicates Z: 29 12.909 1.981 0.551 0.328 0.714 0.500 CB 1.343 29 residues pruned to eliminate duplicates Z: 32 22.452 1.935 0.576 0.558 0.871 0.677 CB 1.436 32 residues pruned to eliminate duplicates Z: 10 5.128 1.828 0.790 0.490 0.667 0.667 CB 0.791 Z: 45 21.935 2.032 0.498 0.487 0.864 0.364 CB 1.275 46 residues pruned to eliminate duplicates Z: 12 10.569 2.041 0.228 0.402 1.000 0.364 CA 1.409 12 residues pruned to eliminate duplicates Z: 15 13.318 1.780 0.771 0.508 0.929 0.357 CB 1.207 15 residues pruned to eliminate duplicates Z: 10 11.434 1.925 0.430 0.579 0.889 0.444 CB 1.444 10 residues pruned to eliminate duplicates Z: 47 22.261 1.922 0.362 0.467 0.935 0.478 CB 1.386 45 residues pruned to eliminate duplicates Z: 9 12.200 1.876 0.155 0.870 1.000 0.750 CB 1.453 9 residues pruned to eliminate duplicates Z: 20 10.270 1.787 0.323 0.432 0.895 0.632 CB 1.194 11 residues pruned to eliminate duplicates Z: 13 13.299 2.037 0.665 0.394 0.917 0.583 CA 1.382 Z: 10 9.035 1.929 0.392 0.470 0.778 0.556 CB 1.487 Z: 72 35.398 2.070 0.432 0.559 0.901 0.521 CA 1.485 72 residues pruned to eliminate duplicates Z: 8 9.560 2.016 0.156 0.784 0.857 0.571 CA 1.408 8 residues pruned to eliminate duplicates Z: 20 18.577 1.898 0.552 0.658 0.895 0.632 CA 1.397 19 residues pruned to eliminate duplicates Z: 17 9.327 1.719 0.308 0.376 0.875 0.625 CA 1.353 17 residues pruned to eliminate duplicates Z: 11 12.234 1.827 0.520 0.519 0.900 0.500 CA 1.519 11 residues pruned to eliminate duplicates Z: 21 25.023 1.971 0.330 0.899 1.000 0.800 CB 1.526 21 residues pruned to eliminate duplicates Z: 37 10.314 1.836 0.262 0.275 0.778 0.417 CB 1.231 34 residues pruned to eliminate duplicates Z: 33 11.760 1.862 0.266 0.442 0.844 0.562 CB 1.109 16 residues pruned to eliminate duplicates Z: 18 11.514 1.871 0.376 0.453 0.824 0.412 CB 1.382 18 residues pruned to eliminate duplicates Z: 29 19.914 1.980 0.659 0.506 0.857 0.464 CA 1.328 29 residues pruned to eliminate duplicates Z: 15 27.434 2.170 0.625 0.912 1.000 0.643 CA 1.473 15 residues pruned to eliminate duplicates Z: 50 19.484 1.902 0.506 0.413 0.837 0.571 CA 1.272 54 residues pruned to eliminate duplicates Z: 15 6.475 1.861 0.196 0.396 0.714 0.357 CB 1.215 17 residues pruned to eliminate duplicates Z: 7 2.931 1.813 0.590 0.304 0.500 0.500 CB 1.032 7 residues pruned to eliminate duplicates Z: 21 27.814 2.055 0.535 0.893 1.000 0.550 CB 1.415 21 residues pruned to eliminate duplicates Z: 32 14.014 1.945 0.382 0.310 0.710 0.419 CB 1.628 30 residues pruned to eliminate duplicates Z: 22 28.232 1.936 0.641 0.901 0.952 0.667 CB 1.453 22 residues pruned to eliminate duplicates Z: 16 19.730 2.020 0.475 0.911 1.000 0.800 CB 1.211 16 residues pruned to eliminate duplicates Z: 13 14.125 1.968 0.415 0.478 1.000 0.667 CA 1.498 12 residues pruned to eliminate duplicates Z: 10 6.384 1.882 0.423 0.398 0.667 0.667 CB 1.327 10 residues pruned to eliminate duplicates Z: 10 7.555 1.877 0.395 0.553 0.889 0.778 CB 1.027 Z: 16 7.489 1.773 0.228 0.390 0.867 0.467 CB 1.151 16 residues pruned to eliminate duplicates Z: 37 13.147 1.915 0.362 0.336 0.750 0.500 CA 1.341 25 residues pruned to eliminate duplicates Z: 14 3.057 1.630 0.018 0.282 0.769 0.538 CB 0.849 13 residues pruned to eliminate duplicates Z: 47 29.588 2.020 0.390 0.641 0.913 0.609 CA 1.492 47 residues pruned to eliminate duplicates Z: 21 20.056 2.022 0.164 0.888 0.950 0.800 CB 1.444 21 residues pruned to eliminate duplicates Z: 24 16.300 2.029 0.613 0.323 0.826 0.478 CA 1.526 24 residues pruned to eliminate duplicates Z: 13 8.663 1.970 0.422 0.352 0.833 0.583 CB 1.259 13 residues pruned to eliminate duplicates Z: 12 10.394 1.941 0.023 0.887 1.000 0.818 CB 1.138 12 residues pruned to eliminate duplicates Z: 13 18.734 1.897 0.590 0.848 1.000 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 52 30.290 2.015 0.525 0.560 0.941 0.686 CB 1.383 45 residues pruned to eliminate duplicates Z: 8 4.652 1.636 0.321 0.601 0.857 0.714 CB 0.862 8 residues pruned to eliminate duplicates Z: 14 13.462 2.047 0.398 0.749 0.923 0.615 CB 1.132 14 residues pruned to eliminate duplicates Z: 16 17.489 1.874 0.568 0.920 0.867 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 19 17.035 2.095 0.406 0.719 0.889 0.500 CB 1.257 19 residues pruned to eliminate duplicates Z: 9 8.998 1.830 0.734 0.563 0.750 0.750 CB 1.257 10 residues pruned to eliminate duplicates Z: 12 4.577 1.958 0.354 0.357 0.636 0.364 CB 0.954 12 residues pruned to eliminate duplicates Z: 9 11.402 1.983 0.690 0.490 0.750 0.750 CB 1.620 9 residues pruned to eliminate duplicates Z: 25 13.914 1.951 0.552 0.436 0.833 0.542 CB 1.203 12 residues pruned to eliminate duplicates Z: 52 26.580 1.994 0.423 0.484 0.961 0.627 CB 1.388 50 residues pruned to eliminate duplicates Z: 9 2.431 1.698 0.275 0.246 0.500 0.250 CB 1.064 9 residues pruned to eliminate duplicates Z: 27 16.067 1.942 0.420 0.491 0.885 0.692 CA 1.304 27 residues pruned to eliminate duplicates Z: 12 20.171 1.887 0.782 0.782 0.909 0.727 O 1.551 12 residues pruned to eliminate duplicates Z: 20 44.984 2.303 0.914 0.921 1.000 0.895 CB 1.647 29 residues pruned to eliminate duplicates Z: 25 13.823 1.991 0.395 0.429 0.833 0.417 CA 1.311 25 residues pruned to eliminate duplicates Z: 79 31.529 2.031 0.486 0.410 0.885 0.474 CB 1.470 84 residues pruned to eliminate duplicates Z: 10 3.373 1.508 0.446 0.287 0.667 0.444 CB 0.982 Z: 19 12.769 1.995 0.594 0.392 0.833 0.444 CA 1.274 19 residues pruned to eliminate duplicates Z: 53 23.478 1.931 0.440 0.421 0.885 0.500 CB 1.437 53 residues pruned to eliminate duplicates Z: 14 6.239 1.696 0.335 0.391 0.769 0.462 CA 1.115 Z: 25 16.946 1.915 0.536 0.431 0.917 0.542 CA 1.379 26 residues pruned to eliminate duplicates Z: 12 15.006 2.080 0.603 0.536 0.909 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 22 41.298 2.229 0.993 0.879 1.000 0.619 CB 1.472 21 residues pruned to eliminate duplicates Z: 23 14.940 1.965 0.484 0.407 0.864 0.591 CB 1.394 22 residues pruned to eliminate duplicates Z: 8 8.158 1.901 0.266 0.585 0.857 0.571 CB 1.378 8 residues pruned to eliminate duplicates Z: 51 21.547 1.985 0.454 0.378 0.900 0.460 CB 1.336 51 residues pruned to eliminate duplicates Z: 6 8.205 1.804 0.432 0.625 1.000 0.600 N 1.262 6 residues pruned to eliminate duplicates Z: 20 15.343 1.928 0.579 0.444 0.895 0.368 CB 1.369 13 residues pruned to eliminate duplicates Z: 10 3.513 1.631 0.248 0.353 0.556 0.444 CB 1.214 Z: 16 11.879 1.806 0.364 0.537 0.933 0.800 CA 1.287 16 residues pruned to eliminate duplicates Z: 7 7.426 1.761 0.456 0.600 1.000 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 18 14.856 1.857 0.375 0.871 1.000 0.471 CB 1.029 18 residues pruned to eliminate duplicates Z: 11 15.862 1.774 0.423 0.916 1.000 0.800 CB 1.404 11 residues pruned to eliminate duplicates Z: 36 35.136 2.214 0.594 0.663 0.943 0.714 CA 1.535 26 residues pruned to eliminate duplicates Z: 12 3.783 1.546 0.314 0.399 0.727 0.455 CB 0.859 12 residues pruned to eliminate duplicates Z: 34 20.195 2.070 0.437 0.424 0.879 0.515 CA 1.455 34 residues pruned to eliminate duplicates Z: 12 13.740 1.840 0.348 0.848 0.909 0.545 CB 1.363 12 residues pruned to eliminate duplicates Z: 13 6.257 1.742 0.163 0.378 0.917 0.667 CB 1.108 13 residues pruned to eliminate duplicates Z: 24 9.749 1.792 0.354 0.351 0.826 0.478 CB 1.193 24 residues pruned to eliminate duplicates Z: 10 18.555 2.060 0.574 0.890 1.000 0.889 CA 1.373 10 residues pruned to eliminate duplicates Z: 40 19.831 1.932 0.340 0.403 0.923 0.487 CB 1.472 40 residues pruned to eliminate duplicates Z: 9 7.561 1.815 0.370 0.538 0.750 0.500 CA 1.381 Z: 20 38.191 2.241 0.690 0.892 1.000 0.947 CB 1.661 20 residues pruned to eliminate duplicates Z: 22 30.411 1.936 0.645 0.941 1.000 0.857 CB 1.446 22 residues pruned to eliminate duplicates Z: 43 16.122 1.923 0.354 0.354 0.905 0.548 CB 1.236 43 residues pruned to eliminate duplicates Z: 16 16.120 2.071 0.360 0.668 0.933 0.800 CB 1.355 16 residues pruned to eliminate duplicates Z: 27 14.472 1.890 0.409 0.408 0.923 0.385 CB 1.271 27 residues pruned to eliminate duplicates Z: 54 22.976 1.941 0.263 0.518 0.887 0.547 CA 1.426 54 residues pruned to eliminate duplicates Z: 9 7.008 1.662 0.210 0.587 1.000 0.875 CB 1.134 7 residues pruned to eliminate duplicates Z: 18 25.101 2.043 0.389 0.901 1.000 0.882 CB 1.531 18 residues pruned to eliminate duplicates Z: 38 29.016 2.063 0.669 0.491 0.946 0.541 CB 1.477 45 residues pruned to eliminate duplicates Z: 31 22.537 2.012 0.734 0.488 0.933 0.600 CB 1.279 15 residues pruned to eliminate duplicates Z: 11 8.536 1.768 0.065 0.842 0.900 0.800 CA 1.187 11 residues pruned to eliminate duplicates Z: 21 8.062 1.765 0.290 0.370 0.850 0.650 CB 1.070 22 residues pruned to eliminate duplicates Z: 31 18.781 1.987 0.482 0.451 0.933 0.700 CB 1.311 31 residues pruned to eliminate duplicates Z: 8 3.160 1.593 0.228 0.360 0.571 0.571 CB 1.242 8 residues pruned to eliminate duplicates Z: 14 7.302 1.611 0.315 0.394 0.846 0.615 CB 1.264 9 residues pruned to eliminate duplicates Z: 9 7.917 2.085 0.124 0.386 1.000 0.375 CA 1.348 8 residues pruned to eliminate duplicates Z: 16 22.376 2.038 0.553 0.800 1.000 0.667 CA 1.404 16 residues pruned to eliminate duplicates Z: 9 7.617 1.812 0.075 0.866 1.000 0.625 CB 1.012 Z: 11 10.311 1.744 0.349 0.839 1.000 0.700 CA 1.035 11 residues pruned to eliminate duplicates Z: 17 5.717 1.832 0.251 0.336 0.750 0.500 CB 0.995 17 residues pruned to eliminate duplicates Z: 22 9.496 1.886 0.200 0.344 0.857 0.524 CB 1.266 9 residues pruned to eliminate duplicates Z: 12 12.849 2.069 0.182 0.882 1.000 0.909 CB 1.146 12 residues pruned to eliminate duplicates Z: 17 10.821 1.839 0.464 0.302 0.875 0.438 CA 1.432 17 residues pruned to eliminate duplicates Z: 22 17.109 2.208 0.517 0.368 0.857 0.476 CB 1.498 22 residues pruned to eliminate duplicates Z: 13 10.533 1.719 0.377 0.520 1.000 0.583 CB 1.259 13 residues pruned to eliminate duplicates Z: 11 13.752 1.704 0.627 0.818 1.000 0.600 CA 1.190 11 residues pruned to eliminate duplicates Z: 32 11.932 1.855 0.255 0.400 0.935 0.548 CB 1.094 32 residues pruned to eliminate duplicates Z: 9 5.096 1.637 0.365 0.335 0.875 0.375 CB 1.104 8 residues pruned to eliminate duplicates Z: 6 3.281 1.673 0.341 0.489 0.800 0.600 CB 0.826 Z: 22 26.117 1.897 0.512 0.903 0.952 0.667 CB 1.488 22 residues pruned to eliminate duplicates Z: 30 18.615 2.029 0.443 0.421 0.897 0.621 CB 1.430 30 residues pruned to eliminate duplicates Z: 9 10.376 1.932 0.390 0.828 0.875 0.625 CA 1.176 9 residues pruned to eliminate duplicates Z: 41 19.269 1.926 0.330 0.472 0.950 0.550 CB 1.288 43 residues pruned to eliminate duplicates Z: 37 18.756 1.896 0.474 0.429 0.889 0.528 CB 1.354 35 residues pruned to eliminate duplicates Z: 6 4.653 1.580 0.833 0.284 0.800 0.800 N 1.146 Z: 18 7.935 1.952 0.135 0.410 0.765 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 29 21.616 2.142 0.614 0.425 0.857 0.571 CB 1.491 29 residues pruned to eliminate duplicates Z: 21 28.313 2.032 0.590 0.908 1.000 0.600 CB 1.391 21 residues pruned to eliminate duplicates Z: 8 8.089 1.803 0.586 0.609 0.714 0.429 CA 1.349 8 residues pruned to eliminate duplicates Z: 12 7.501 1.825 0.318 0.407 0.909 0.455 CB 1.140 12 residues pruned to eliminate duplicates Z: 17 12.909 1.984 0.381 0.373 0.938 0.562 CB 1.440 17 residues pruned to eliminate duplicates Z: 34 19.879 1.875 0.506 0.495 0.879 0.515 CA 1.401 32 residues pruned to eliminate duplicates Z: 28 9.967 1.895 0.222 0.286 0.815 0.444 CA 1.293 26 residues pruned to eliminate duplicates Z: 10 9.396 1.889 0.513 0.538 0.889 0.889 CA 1.187 10 residues pruned to eliminate duplicates Z: 6 3.492 1.622 0.237 0.300 0.800 0.400 CB 1.216 5 residues pruned to eliminate duplicates Z: 15 17.658 1.916 0.852 0.887 1.000 0.714 CB 0.959 15 residues pruned to eliminate duplicates Z: 13 12.393 1.902 0.522 0.451 0.917 0.500 CA 1.417 13 residues pruned to eliminate duplicates Z: 68 35.376 2.047 0.485 0.527 0.940 0.552 CA 1.471 71 residues pruned to eliminate duplicates Z: 50 24.240 1.988 0.468 0.489 0.816 0.449 CB 1.471 50 residues pruned to eliminate duplicates Z: 11 13.597 1.997 0.693 0.739 0.900 0.500 CB 1.141 11 residues pruned to eliminate duplicates Z: 22 27.472 1.947 0.618 0.930 0.952 0.714 CB 1.398 22 residues pruned to eliminate duplicates Z: 11 8.790 1.765 0.709 0.417 0.900 0.500 CB 1.116 9 residues pruned to eliminate duplicates Z: 29 13.491 1.923 0.487 0.335 0.821 0.429 CB 1.300 29 residues pruned to eliminate duplicates Z: 20 25.035 2.004 0.477 0.929 1.000 0.684 CB 1.358 20 residues pruned to eliminate duplicates Z: 47 34.694 2.094 0.616 0.632 0.913 0.543 CA 1.463 47 residues pruned to eliminate duplicates Z: 15 31.967 2.151 0.795 0.927 1.000 0.429 CA 1.551 15 residues pruned to eliminate duplicates Z: 24 17.053 1.948 0.523 0.456 0.913 0.696 CB 1.374 24 residues pruned to eliminate duplicates Z: 14 6.209 1.908 0.528 0.264 0.615 0.462 CA 1.257 14 residues pruned to eliminate duplicates Z: 45 35.759 2.125 0.771 0.589 0.864 0.455 CB 1.524 50 residues pruned to eliminate duplicates Z: 14 10.004 1.891 0.367 0.453 0.923 0.538 CB 1.221 14 residues pruned to eliminate duplicates Z: 8 3.486 1.728 -0.033 0.354 0.857 0.571 CB 1.078 Z: 8 7.049 1.788 0.068 0.724 0.857 0.429 CA 1.331 8 residues pruned to eliminate duplicates Z: 69 37.615 2.109 0.541 0.549 0.912 0.559 CA 1.467 69 residues pruned to eliminate duplicates Z: 31 15.566 1.905 0.316 0.417 0.933 0.600 CA 1.325 31 residues pruned to eliminate duplicates Z: 15 8.136 1.911 0.168 0.365 0.786 0.429 CB 1.434 15 residues pruned to eliminate duplicates Z: 15 21.409 1.912 0.533 0.895 1.000 0.929 CA 1.400 15 residues pruned to eliminate duplicates Z: 15 10.535 1.972 0.398 0.387 0.857 0.500 CB 1.343 14 residues pruned to eliminate duplicates Z: 15 27.759 2.100 0.979 0.884 0.929 0.786 CA 1.389 15 residues pruned to eliminate duplicates Z: 12 8.577 1.915 0.730 0.424 0.636 0.545 CA 1.327 12 residues pruned to eliminate duplicates Z: 7 9.802 1.799 0.479 0.621 1.000 0.500 CB 1.342 8 residues pruned to eliminate duplicates Z: 21 23.190 1.991 0.297 0.886 1.000 0.750 CB 1.449 21 residues pruned to eliminate duplicates Z: 13 6.676 1.738 0.372 0.345 0.750 0.500 CB 1.275 13 residues pruned to eliminate duplicates Z: 14 8.480 1.852 0.434 0.410 0.923 0.385 CB 1.054 14 residues pruned to eliminate duplicates Z: 22 38.016 2.182 0.846 0.862 1.000 0.667 CB 1.512 22 residues pruned to eliminate duplicates Z: 10 9.407 1.743 0.229 0.748 1.000 0.667 CA 1.173 10 residues pruned to eliminate duplicates Z: 61 39.159 1.949 0.747 0.634 0.950 0.617 CB 1.378 61 residues pruned to eliminate duplicates Z: 7 2.576 1.434 0.051 0.377 0.833 0.333 CB 0.955 Z: 7 7.524 1.767 0.304 0.553 1.000 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 28 17.043 2.007 0.747 0.336 0.815 0.556 CA 1.373 28 residues pruned to eliminate duplicates Z: 27 10.083 1.813 0.366 0.365 0.846 0.500 CB 1.091 27 residues pruned to eliminate duplicates Z: 7 5.522 1.776 0.009 0.682 0.833 0.667 CB 1.277 Z: 35 13.821 1.841 0.310 0.403 0.971 0.529 CB 1.121 36 residues pruned to eliminate duplicates Z: 21 15.740 1.950 0.576 0.399 0.950 0.500 CB 1.342 21 residues pruned to eliminate duplicates Z: 15 8.970 1.832 0.560 0.386 0.857 0.643 CA 1.104 15 residues pruned to eliminate duplicates Z: 9 10.061 1.821 0.608 0.803 0.750 0.625 CA 1.243 10 residues pruned to eliminate duplicates Z: 8 7.188 1.814 0.373 0.788 0.714 0.571 CA 1.186 8 residues pruned to eliminate duplicates Z: 8 13.028 1.867 0.245 0.871 1.000 0.857 CA 1.544 8 residues pruned to eliminate duplicates Z: 11 11.439 1.908 0.358 0.539 1.000 0.400 CB 1.344 11 residues pruned to eliminate duplicates Z: 17 7.998 1.782 0.356 0.364 0.812 0.562 CB 1.179 17 residues pruned to eliminate duplicates Z: 14 15.029 2.051 0.381 0.813 0.923 0.846 CB 1.215 14 residues pruned to eliminate duplicates Z: 27 25.408 2.122 0.624 0.540 0.923 0.538 CB 1.506 27 residues pruned to eliminate duplicates Z: 13 5.829 1.804 0.271 0.275 0.750 0.333 CB 1.261 9 residues pruned to eliminate duplicates Z: 42 46.679 2.210 0.722 0.707 1.000 0.659 CA 1.588 42 residues pruned to eliminate duplicates Z: 9 8.613 1.875 0.348 0.359 0.875 0.750 CB 1.602 9 residues pruned to eliminate duplicates Z: 8 2.204 1.164 0.819 0.214 0.857 0.571 N 0.643 Z: 8 2.852 1.725 0.440 0.439 0.571 0.429 CB 0.809 Z: 20 10.301 1.926 0.619 0.230 0.789 0.474 CA 1.315 20 residues pruned to eliminate duplicates Z: 9 6.457 2.092 0.005 0.472 0.875 0.375 N 1.277 9 residues pruned to eliminate duplicates Z: 45 20.809 1.965 0.359 0.447 0.886 0.568 CA 1.399 45 residues pruned to eliminate duplicates Z: 21 19.368 1.926 0.476 0.595 1.000 0.550 CA 1.392 21 residues pruned to eliminate duplicates Z: 26 19.189 1.889 0.485 0.572 0.960 0.480 CA 1.330 26 residues pruned to eliminate duplicates Z: 16 8.020 1.954 0.309 0.320 0.733 0.533 CB 1.346 16 residues pruned to eliminate duplicates Z: 65 40.810 2.019 0.625 0.606 0.969 0.688 CB 1.451 67 residues pruned to eliminate duplicates Z: 7 2.813 1.739 0.122 0.557 1.000 0.333 CB 0.557 Z: 14 17.637 1.825 0.465 0.918 1.000 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 6 7.277 1.904 0.894 0.485 0.600 0.600 N 1.527 6 residues pruned to eliminate duplicates Z: 7 6.585 1.837 0.527 0.492 0.833 0.667 CB 1.160 7 residues pruned to eliminate duplicates Z: 18 11.957 1.906 0.420 0.417 1.000 0.588 CA 1.168 18 residues pruned to eliminate duplicates Z: 29 13.752 1.971 0.346 0.406 0.821 0.536 CB 1.316 33 residues pruned to eliminate duplicates Z: 28 15.776 1.911 0.334 0.493 0.852 0.667 CA 1.408 28 residues pruned to eliminate duplicates Z: 29 17.203 1.923 0.459 0.468 0.929 0.536 CB 1.290 29 residues pruned to eliminate duplicates Z: 13 7.841 1.604 0.316 0.539 0.917 0.583 CA 1.126 Z: 9 6.683 1.809 0.056 0.572 0.875 0.750 O 1.318 9 residues pruned to eliminate duplicates Z: 14 9.935 1.804 0.289 0.445 1.000 0.462 CB 1.254 14 residues pruned to eliminate duplicates Z: 22 12.924 1.828 0.378 0.511 0.905 0.571 CB 1.225 22 residues pruned to eliminate duplicates Z: 17 29.043 2.118 0.634 0.840 1.000 0.812 CB 1.566 17 residues pruned to eliminate duplicates Z: 9 3.665 1.756 0.494 0.359 0.625 0.250 CB 0.920 8 residues pruned to eliminate duplicates Z: 9 5.242 1.543 0.140 0.591 0.875 0.500 CB 1.103 Z: 13 12.864 1.911 0.552 0.418 1.000 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 50 25.128 2.006 0.377 0.490 0.918 0.694 CB 1.429 50 residues pruned to eliminate duplicates Z: 31 12.886 1.830 0.436 0.416 0.833 0.467 CB 1.172 31 residues pruned to eliminate duplicates Z: 21 48.606 2.351 1.010 0.919 0.950 0.700 CB 1.707 21 residues pruned to eliminate duplicates Z: 54 22.873 1.963 0.325 0.434 0.943 0.434 CB 1.371 59 residues pruned to eliminate duplicates Z: 6 2.650 1.626 0.109 0.584 0.800 0.800 CB 0.758 6 residues pruned to eliminate duplicates Z: 29 15.324 1.961 0.408 0.359 0.857 0.393 CB 1.425 29 residues pruned to eliminate duplicates Z: 30 19.810 2.057 0.724 0.348 0.862 0.586 CB 1.419 30 residues pruned to eliminate duplicates Z: 55 27.129 1.979 0.585 0.485 0.852 0.500 CA 1.404 36 residues pruned to eliminate duplicates Z: 6 2.622 1.646 0.499 0.360 0.600 0.600 CB 0.921 Z: 9 5.419 1.657 0.435 0.568 0.875 0.625 N 0.862 9 residues pruned to eliminate duplicates Z: 19 11.451 1.936 0.297 0.405 0.889 0.667 CA 1.337 19 residues pruned to eliminate duplicates Z: 35 14.905 1.904 0.222 0.472 0.824 0.529 CA 1.373 35 residues pruned to eliminate duplicates Z: 11 4.559 1.622 0.891 0.305 0.800 0.500 CB 0.729 Z: 13 14.676 1.908 0.667 0.798 0.917 0.667 CB 1.120 13 residues pruned to eliminate duplicates Z: 9 13.551 1.746 0.668 0.827 1.000 0.625 CB 1.240 9 residues pruned to eliminate duplicates Z: 9 10.997 1.681 0.868 0.502 1.000 0.625 CB 1.235 Z: 6 4.311 1.697 0.105 0.787 0.600 0.600 CA 1.331 5 residues pruned to eliminate duplicates Z: 10 10.891 1.880 0.223 0.532 1.000 0.444 O 1.531 10 residues pruned to eliminate duplicates Z: 7 5.516 1.721 0.507 0.651 0.667 0.500 N 1.132 7 residues pruned to eliminate duplicates Z: 8 5.201 1.464 0.950 0.490 0.714 0.571 N 0.974 Z: 9 10.820 2.014 0.752 0.585 1.000 0.625 CA 0.999 9 residues pruned to eliminate duplicates Z: 31 37.561 2.240 0.632 0.753 0.967 0.700 CA 1.549 31 residues pruned to eliminate duplicates Z: 28 13.290 1.898 0.297 0.407 0.926 0.444 CB 1.238 28 residues pruned to eliminate duplicates Z: 21 27.031 2.027 0.656 0.872 0.950 0.550 CA 1.381 21 residues pruned to eliminate duplicates Z: 15 8.238 1.949 0.054 0.396 1.000 0.571 CB 1.196 15 residues pruned to eliminate duplicates Z: 32 17.376 1.923 0.494 0.426 0.903 0.516 CA 1.299 32 residues pruned to eliminate duplicates Z: 15 7.283 1.818 0.185 0.460 0.857 0.571 CA 1.098 15 residues pruned to eliminate duplicates Z: 10 7.551 1.710 0.285 0.509 0.889 0.667 C 1.277 10 residues pruned to eliminate duplicates Z: 18 14.799 2.040 0.514 0.394 0.941 0.647 CA 1.381 18 residues pruned to eliminate duplicates Z: 42 24.792 2.075 0.467 0.432 0.951 0.463 CA 1.435 42 residues pruned to eliminate duplicates Z: 11 6.395 1.758 0.655 0.543 0.800 0.600 CB 0.833 11 residues pruned to eliminate duplicates Z: 20 15.171 1.980 0.500 0.434 0.947 0.684 CB 1.325 20 residues pruned to eliminate duplicates Z: 33 15.496 1.873 0.488 0.351 0.906 0.375 CB 1.274 33 residues pruned to eliminate duplicates Z: 22 9.862 1.910 0.397 0.340 0.857 0.524 CB 1.120 22 residues pruned to eliminate duplicates Z: 9 9.641 1.815 0.061 0.857 1.000 0.750 CB 1.304 9 residues pruned to eliminate duplicates Z: 47 20.366 1.937 0.488 0.441 0.870 0.543 CB 1.273 47 residues pruned to eliminate duplicates Z: 13 14.642 2.146 0.211 0.918 1.000 0.917 CB 1.146 13 residues pruned to eliminate duplicates Z: 10 4.138 1.665 0.196 0.286 0.889 0.444 CB 0.991 10 residues pruned to eliminate duplicates Z: 6 4.392 1.613 0.096 0.582 1.000 0.400 N 1.027 Z: 20 29.660 2.018 0.879 0.888 0.895 0.737 CB 1.445 20 residues pruned to eliminate duplicates Z: 28 16.313 1.906 0.340 0.462 0.889 0.444 CA 1.437 28 residues pruned to eliminate duplicates Z: 11 5.731 1.949 0.375 0.234 0.700 0.400 CA 1.316 11 residues pruned to eliminate duplicates Z: 8 11.753 1.799 0.293 0.716 1.000 0.714 C 1.570 6 residues pruned to eliminate duplicates Z: 7 4.512 1.501 0.550 0.469 0.833 0.500 CB 0.980 9 1.874 1.490 0.197 0.404 0.625 0.500 CB 0.657 ? Z: 9 11.147 1.671 0.898 0.567 0.875 0.625 CA 1.331 9 residues pruned to eliminate duplicates Z: 7 2.094 1.395 0.240 0.302 0.667 0.333 CB 0.924 Z: 13 5.779 1.626 0.314 0.249 0.750 0.417 N 1.390 13 residues pruned to eliminate duplicates Z: 21 20.601 2.089 0.422 0.637 1.000 0.600 CB 1.363 21 residues pruned to eliminate duplicates Z: 59 24.917 1.963 0.450 0.446 0.897 0.552 CB 1.355 59 residues pruned to eliminate duplicates Z: 19 22.532 2.079 0.318 0.852 1.000 0.722 CA 1.434 19 residues pruned to eliminate duplicates Z: 13 7.287 1.843 0.604 0.483 0.583 0.250 CB 1.241 13 residues pruned to eliminate duplicates Z: 70 21.776 1.922 0.395 0.337 0.913 0.493 CB 1.281 72 residues pruned to eliminate duplicates Z: 63 31.640 2.013 0.412 0.553 0.919 0.645 CA 1.460 63 residues pruned to eliminate duplicates Z: 30 27.212 2.039 0.432 0.734 1.000 0.897 CB 1.403 30 residues pruned to eliminate duplicates Z: 33 22.569 2.039 0.659 0.526 0.844 0.500 CA 1.363 33 residues pruned to eliminate duplicates Z: 53 39.285 2.138 0.593 0.665 0.904 0.635 CA 1.519 53 residues pruned to eliminate duplicates Z: 6 4.853 1.773 0.164 0.599 0.800 0.800 CB 1.196 5 residues pruned to eliminate duplicates Z: 9 5.345 1.922 0.239 0.473 0.625 0.375 CA 1.305 9 residues pruned to eliminate duplicates Z: 28 14.681 1.807 0.479 0.436 0.852 0.481 CB 1.326 25 residues pruned to eliminate duplicates Z: 10 11.673 1.865 0.285 0.833 1.000 0.444 CB 1.217 10 residues pruned to eliminate duplicates Z: 6 3.730 1.761 0.390 0.675 0.600 0.400 CB 0.967 6 residues pruned to eliminate duplicates Z: 53 33.242 2.060 0.581 0.586 0.885 0.596 CA 1.473 53 residues pruned to eliminate duplicates Z: 40 19.600 1.927 0.471 0.403 0.897 0.538 CB 1.367 40 residues pruned to eliminate duplicates Z: 64 37.085 1.993 0.547 0.577 0.968 0.683 CB 1.454 59 residues pruned to eliminate duplicates Z: 6 5.731 1.669 0.021 0.768 1.000 0.600 C 1.186 Z: 85 46.280 2.127 0.624 0.562 0.929 0.679 CB 1.483 85 residues pruned to eliminate duplicates Z: 23 15.756 2.004 0.644 0.290 0.864 0.455 CA 1.495 23 residues pruned to eliminate duplicates Z: 25 24.113 2.019 0.298 0.633 1.000 0.667 CB 1.658 25 residues pruned to eliminate duplicates Z: 7 6.386 1.783 0.468 0.642 0.833 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 19 20.665 1.977 0.577 0.826 0.889 0.500 CA 1.325 19 residues pruned to eliminate duplicates Z: 7 4.454 1.595 0.776 0.529 0.667 0.667 CB 0.936 7 residues pruned to eliminate duplicates Z: 10 8.087 1.850 0.575 0.412 0.889 0.556 CB 1.141 10 residues pruned to eliminate duplicates Z: 51 30.526 2.064 0.672 0.529 0.920 0.580 CB 1.321 51 residues pruned to eliminate duplicates Z: 7 4.064 1.642 0.212 0.456 1.000 0.500 CB 0.872 Z: 27 14.241 1.879 0.390 0.446 0.885 0.462 CA 1.278 27 residues pruned to eliminate duplicates 7 1.603 1.406 0.478 0.230 0.667 0.667 N 0.647 ? Z: 48 20.956 1.883 0.380 0.460 0.957 0.638 CB 1.280 45 residues pruned to eliminate duplicates Z: 9 5.002 1.893 0.189 0.368 0.625 0.500 CA 1.449 9 residues pruned to eliminate duplicates Z: 13 10.925 1.749 0.497 0.511 0.833 0.667 CA 1.429 12 residues pruned to eliminate duplicates Z: 16 8.157 1.864 0.704 0.324 0.733 0.267 CA 1.097 16 residues pruned to eliminate duplicates Z: 6 3.364 1.585 0.166 0.519 0.800 0.800 CB 0.999 6 1.790 1.025 0.891 0.439 0.600 0.400 O 0.733 ? Z: 9 8.132 1.476 0.406 0.876 1.000 0.625 CA 1.007 9 residues pruned to eliminate duplicates Z: 6 4.077 1.727 0.589 0.165 0.800 0.600 CB 1.249 Z: 7 4.083 1.704 0.223 0.480 0.667 0.333 CA 1.224 Z: 23 34.898 2.128 0.711 0.869 1.000 0.682 CB 1.493 23 residues pruned to eliminate duplicates Z: 9 9.032 1.912 0.139 0.722 1.000 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 6 4.630 1.536 0.641 0.354 0.800 0.600 O 1.203 Z: 15 12.659 1.866 0.738 0.475 1.000 0.643 CB 1.070 15 residues pruned to eliminate duplicates Z: 7 3.112 1.375 0.382 0.825 1.000 0.833 CB 0.504 7 residues pruned to eliminate duplicates Z: 36 18.416 1.896 0.459 0.408 0.857 0.543 CA 1.446 36 residues pruned to eliminate duplicates Z: 32 24.576 2.134 0.604 0.427 0.903 0.613 CB 1.539 32 residues pruned to eliminate duplicates Z: 10 8.606 1.718 0.862 0.309 0.889 0.667 CA 1.247 10 residues pruned to eliminate duplicates Z: 6 2.931 1.535 0.041 0.341 1.000 0.400 CA 0.976 Z: 7 5.221 1.849 0.043 0.439 0.833 0.667 C 1.412 7 residues pruned to eliminate duplicates Z: 7 3.197 1.350 0.301 0.666 0.833 0.333 CA 0.765 7 residues pruned to eliminate duplicates Z: 20 8.028 1.791 0.229 0.322 0.895 0.684 CB 1.138 20 residues pruned to eliminate duplicates Z: 11 12.048 1.924 0.498 0.785 0.900 0.700 CA 1.143 11 residues pruned to eliminate duplicates Z: 16 9.133 1.863 0.216 0.517 0.867 0.533 CA 1.181 16 residues pruned to eliminate duplicates Z: 9 3.926 1.611 0.316 0.381 0.625 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 19 7.613 1.629 0.528 0.284 0.778 0.389 CA 1.183 11 residues pruned to eliminate duplicates Z: 23 10.305 1.837 0.137 0.370 0.909 0.591 CB 1.330 23 residues pruned to eliminate duplicates Z: 17 18.190 1.935 0.669 0.847 0.812 0.500 CA 1.286 17 residues pruned to eliminate duplicates Z: 10 11.301 1.869 0.805 0.502 0.889 0.778 CB 1.254 Z: 26 12.131 1.952 0.277 0.392 0.880 0.600 CB 1.239 26 residues pruned to eliminate duplicates Z: 7 4.567 1.727 0.183 0.420 1.000 0.833 N 0.993 Z: 15 6.274 1.519 0.295 0.411 0.929 0.357 CA 1.008 12 residues pruned to eliminate duplicates Z: 24 20.942 2.128 0.791 0.401 0.913 0.522 CB 1.393 24 residues pruned to eliminate duplicates Z: 28 18.163 2.010 0.314 0.510 1.000 0.593 CB 1.311 28 residues pruned to eliminate duplicates Z: 6 6.196 2.062 0.537 0.424 0.800 0.600 CA 1.183 4 residues pruned to eliminate duplicates Z: 8 8.329 1.674 0.323 0.772 1.000 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 36 19.839 2.009 0.356 0.447 0.914 0.543 CB 1.421 36 residues pruned to eliminate duplicates Z: 12 7.289 1.968 0.249 0.438 0.727 0.545 CA 1.312 12 residues pruned to eliminate duplicates Z: 27 43.794 2.276 0.889 0.737 1.000 0.692 CA 1.615 27 residues pruned to eliminate duplicates Z: 13 10.537 1.944 0.276 0.576 1.000 0.833 CB 1.140 13 residues pruned to eliminate duplicates Z: 7 3.597 1.949 -0.274 0.330 0.833 0.667 CB 1.501 7 residues pruned to eliminate duplicates Z: 26 13.646 1.922 0.298 0.466 0.880 0.560 CA 1.287 26 residues pruned to eliminate duplicates Z: 22 17.314 2.006 0.345 0.573 0.952 0.619 CA 1.370 22 residues pruned to eliminate duplicates Z: 10 9.413 1.659 0.731 0.508 0.889 0.778 CB 1.219 10 residues pruned to eliminate duplicates Z: 8 7.788 1.802 0.683 0.544 0.857 0.429 CB 1.084 8 residues pruned to eliminate duplicates Z: 29 13.360 1.972 0.290 0.450 0.857 0.536 CB 1.219 29 residues pruned to eliminate duplicates Z: 11 7.957 1.587 0.433 0.527 0.900 0.600 CB 1.198 Z: 21 29.835 2.043 0.484 0.923 1.000 0.800 CB 1.546 24 residues pruned to eliminate duplicates Z: 13 11.906 1.808 0.518 0.625 1.000 0.750 CB 1.113 13 residues pruned to eliminate duplicates Z: 23 16.696 1.913 0.593 0.650 0.818 0.545 CB 1.241 23 residues pruned to eliminate duplicates Z: 16 6.763 1.859 0.401 0.400 0.733 0.667 CB 1.016 16 residues pruned to eliminate duplicates Z: 13 8.278 1.580 0.303 0.504 1.000 0.750 CA 1.155 13 residues pruned to eliminate duplicates Z: 13 13.783 1.937 0.810 0.547 0.917 0.667 CB 1.183 13 residues pruned to eliminate duplicates Z: 34 23.423 1.990 0.465 0.563 0.970 0.576 CB 1.357 34 residues pruned to eliminate duplicates Z: 10 5.232 1.556 0.225 0.450 0.778 0.333 N 1.238 10 residues pruned to eliminate duplicates 9 1.803 1.421 0.358 0.178 0.625 0.375 CB 0.779 ? 7 1.829 1.358 -0.008 0.341 0.833 0.333 N 0.791 ? Z: 6 2.575 1.632 -0.074 0.546 1.000 0.600 N 0.729 Z: 10 7.242 1.732 0.784 0.328 0.889 0.444 CA 1.062 10 residues pruned to eliminate duplicates Z: 20 17.204 1.920 0.882 0.411 0.895 0.526 CA 1.340 20 residues pruned to eliminate duplicates 6 1.929 1.450 0.286 0.227 0.800 0.200 N 0.795 ? Z: 7 5.845 1.438 0.627 0.699 0.833 0.833 CB 1.021 7 residues pruned to eliminate duplicates Z: 8 5.898 1.684 0.220 0.629 0.857 0.571 CA 1.121 8 residues pruned to eliminate duplicates Z: 13 5.424 1.564 0.331 0.337 0.833 0.333 CB 1.079 13 residues pruned to eliminate duplicates Z: 15 7.480 1.815 -0.045 0.770 0.857 0.714 CB 1.059 15 residues pruned to eliminate duplicates Z: 8 3.360 1.611 0.298 0.332 0.714 0.571 CA 1.022 8 residues pruned to eliminate duplicates Z: 6 4.022 1.417 0.848 0.321 1.000 0.400 CA 0.836 Z: 21 23.889 1.945 0.332 0.877 1.000 0.800 CA 1.497 21 residues pruned to eliminate duplicates Z: 9 4.370 2.001 0.226 0.385 0.750 0.500 CB 0.948 9 residues pruned to eliminate duplicates Z: 6 4.227 1.568 0.514 0.355 0.800 0.600 CA 1.165 Z: 9 3.362 1.494 0.679 0.197 0.625 0.250 CB 1.087 8 residues pruned to eliminate duplicates Z: 22 29.680 1.958 0.798 0.889 0.905 0.667 CB 1.464 22 residues pruned to eliminate duplicates Z: 6 6.238 1.736 0.630 0.664 0.800 0.600 CA 1.058 6 residues pruned to eliminate duplicates Z: 21 13.744 1.794 0.508 0.447 0.800 0.550 CB 1.500 21 residues pruned to eliminate duplicates Z: 10 5.281 1.597 0.239 0.481 0.889 0.556 CB 1.020 Z: 6 2.647 1.331 0.599 0.380 0.600 0.400 CB 1.053 7 1.319 1.288 0.890 0.083 0.833 0.333 C 0.455 ? Z: 6 4.964 1.460 0.778 0.401 0.800 0.400 CA 1.187 6 residues pruned to eliminate duplicates Z: 6 2.471 1.330 0.239 0.335 0.800 0.400 CA 1.005 Z: 34 14.510 1.846 0.270 0.410 1.000 0.576 CB 1.184 34 residues pruned to eliminate duplicates Z: 11 10.390 1.643 0.393 0.817 0.900 0.400 CA 1.212 11 residues pruned to eliminate duplicates Z: 13 7.135 1.660 0.243 0.373 1.000 0.417 CA 1.143 13 residues pruned to eliminate duplicates Z: 6 7.569 1.882 0.168 0.617 1.000 0.400 CB 1.378 6 residues pruned to eliminate duplicates Z: 30 21.839 1.874 0.694 0.458 0.966 0.483 CA 1.380 30 residues pruned to eliminate duplicates Z: 7 4.494 1.440 0.153 0.641 0.833 0.333 CB 1.162 Z: 20 10.530 1.721 0.627 0.384 0.789 0.421 CB 1.236 20 residues pruned to eliminate duplicates Z: 18 15.927 1.917 0.344 0.838 0.941 0.471 CB 1.190 18 residues pruned to eliminate duplicates Z: 20 27.488 2.078 0.510 0.911 1.000 0.579 CB 1.424 20 residues pruned to eliminate duplicates Z: 23 8.218 1.693 0.363 0.409 0.773 0.545 CB 1.080 17 residues pruned to eliminate duplicates Z: 10 4.812 1.417 0.506 0.285 0.889 0.667 CA 1.076 Z: 11 6.368 1.795 0.274 0.426 0.900 0.500 CB 1.057 10 residues pruned to eliminate duplicates 8 1.414 1.363 0.022 0.179 0.571 0.286 CA 0.988 ? Z: 9 2.617 1.336 0.211 0.307 0.750 0.250 CB 0.945 Z: 6 2.347 1.345 0.430 0.374 0.800 0.600 CB 0.781 Z: 8 9.664 1.607 0.324 0.818 1.000 0.571 CA 1.303 8 residues pruned to eliminate duplicates Z: 19 12.761 1.855 0.374 0.576 0.944 0.778 CB 1.161 19 residues pruned to eliminate duplicates Z: 34 19.715 1.910 0.569 0.506 0.879 0.485 CA 1.296 34 residues pruned to eliminate duplicates Z: 12 3.290 1.474 0.410 0.302 0.636 0.545 CB 0.935 12 residues pruned to eliminate duplicates Z: 10 4.640 1.415 0.924 0.421 0.889 0.444 CB 0.694 Z: 14 7.200 1.705 0.317 0.408 0.923 0.538 CB 1.061 14 residues pruned to eliminate duplicates Z: 8 5.583 1.455 0.221 0.678 1.000 0.857 CA 1.008 8 residues pruned to eliminate duplicates Z: 16 14.910 2.006 0.540 0.562 0.867 0.467 CB 1.354 16 residues pruned to eliminate duplicates Z: 10 7.737 1.833 0.504 0.508 0.889 0.778 CB 1.044 10 residues pruned to eliminate duplicates 7 1.927 1.371 0.422 0.249 0.667 0.500 CA 0.808 ? Z: 8 2.841 1.200 0.593 0.352 1.000 0.571 CA 0.659 Z: 17 10.565 1.775 0.498 0.405 0.875 0.562 CB 1.254 17 residues pruned to eliminate duplicates Z: 10 6.372 1.422 0.904 0.428 0.889 0.667 N 0.951 10 residues pruned to eliminate duplicates Z: 28 8.836 1.901 0.270 0.313 0.741 0.444 CB 1.170 28 residues pruned to eliminate duplicates Z: 23 16.206 1.958 0.466 0.407 0.955 0.591 CB 1.390 23 residues pruned to eliminate duplicates Z: 7 2.234 1.711 -0.098 0.107 0.833 0.333 CB 1.169 Z: 11 6.076 1.731 0.430 0.439 0.800 0.600 CB 1.033 11 residues pruned to eliminate duplicates Z: 12 8.110 1.957 0.132 0.443 0.909 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 15 11.346 1.943 0.334 0.524 0.929 0.714 CA 1.231 15 residues pruned to eliminate duplicates Z: 26 10.157 1.914 0.205 0.344 0.840 0.520 CB 1.242 26 residues pruned to eliminate duplicates Z: 29 19.358 1.961 0.528 0.492 0.893 0.536 CA 1.379 29 residues pruned to eliminate duplicates Z: 32 14.122 1.803 0.380 0.413 0.839 0.581 CA 1.331 32 residues pruned to eliminate duplicates Z: 9 5.071 1.770 0.407 0.320 0.875 0.250 CB 1.004 9 residues pruned to eliminate duplicates Z: 11 4.509 1.391 0.577 0.380 0.800 0.600 CB 0.923 Z: 9 7.233 1.935 0.433 0.471 0.750 0.750 CA 1.267 9 residues pruned to eliminate duplicates Z: 43 30.037 2.087 0.451 0.583 0.952 0.429 CA 1.484 43 residues pruned to eliminate duplicates Z: 8 6.459 1.776 -0.098 0.479 1.000 0.571 N 1.557 8 residues pruned to eliminate duplicates Z: 7 2.164 1.260 0.660 0.272 0.667 0.500 CB 0.820 Z: 10 5.538 1.618 0.450 0.408 0.778 0.444 CB 1.114 6 residues pruned to eliminate duplicates Z: 20 13.553 1.697 0.449 0.751 0.895 0.474 CB 1.130 20 residues pruned to eliminate duplicates Z: 12 14.347 2.105 0.567 0.595 1.000 0.727 CA 1.197 12 residues pruned to eliminate duplicates Z: 6 3.008 1.342 0.414 0.448 0.800 0.600 CB 0.935 Z: 11 21.807 2.016 0.961 0.692 0.900 0.900 CB 1.626 11 residues pruned to eliminate duplicates Z: 7 4.335 1.577 0.089 0.400 1.000 0.500 O 1.145 5 residues pruned to eliminate duplicates Z: 20 11.199 1.897 0.294 0.396 0.789 0.421 CA 1.480 21 residues pruned to eliminate duplicates Z: 17 8.197 1.677 0.599 0.353 0.688 0.438 CB 1.304 17 residues pruned to eliminate duplicates Z: 14 9.033 1.945 0.158 0.476 0.846 0.692 CB 1.347 14 residues pruned to eliminate duplicates Z: 8 2.818 1.482 0.468 0.275 0.714 0.571 CB 0.885 8 residues pruned to eliminate duplicates Z: 26 9.856 1.842 0.316 0.306 0.840 0.480 CB 1.201 26 residues pruned to eliminate duplicates Z: 8 4.256 1.167 1.045 0.463 0.714 0.571 CB 0.980 Z: 13 4.490 1.535 0.118 0.309 0.833 0.333 N 1.120 6 1.336 1.291 0.052 0.299 0.800 0.400 CA 0.688 ? Z: 7 2.679 1.513 0.358 0.376 0.667 0.500 CA 0.912 Z: 16 16.959 2.055 0.719 0.353 0.933 0.533 CA 1.557 16 residues pruned to eliminate duplicates Z: 28 13.350 1.877 0.459 0.453 0.741 0.444 CA 1.328 28 residues pruned to eliminate duplicates Z: 11 5.987 1.707 0.438 0.373 0.800 0.500 CA 1.104 11 residues pruned to eliminate duplicates Z: 13 18.333 2.078 0.619 0.866 0.917 0.417 CB 1.256 13 residues pruned to eliminate duplicates Z: 13 6.934 1.751 0.168 0.513 0.833 0.583 CB 1.160 13 residues pruned to eliminate duplicates Z: 12 6.655 1.774 0.389 0.373 0.909 0.455 CB 1.026 11 residues pruned to eliminate duplicates Z: 15 17.048 2.026 0.520 0.800 1.000 0.429 CB 1.137 15 residues pruned to eliminate duplicates Z: 6 3.066 1.516 0.324 0.295 0.800 0.200 CB 1.073 Z: 6 2.071 1.569 -0.083 0.492 0.800 0.600 N 0.811 Z: 19 9.975 1.755 0.331 0.387 0.889 0.500 CA 1.277 19 residues pruned to eliminate duplicates Z: 8 3.857 1.651 -0.109 0.600 1.000 0.571 CB 0.901 8 residues pruned to eliminate duplicates Z: 9 5.867 1.662 0.444 0.402 0.875 0.625 CB 1.096 7 1.104 1.236 0.305 0.459 0.667 0.333 C 0.437 ? 7 1.678 1.115 0.335 0.274 0.667 0.500 CA 0.892 ? Z: 9 4.208 1.507 0.280 0.625 0.750 0.750 CB 0.914 9 residues pruned to eliminate duplicates Z: 14 10.972 1.904 0.408 0.500 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 21 12.607 1.883 0.568 0.360 0.900 0.400 CA 1.234 19 residues pruned to eliminate duplicates Z: 17 6.505 1.890 -0.026 0.297 1.000 0.625 CB 1.108 17 residues pruned to eliminate duplicates 9 1.706 1.476 0.515 0.237 0.500 0.500 CB 0.732 ? Z: 6 7.648 1.634 0.628 0.645 0.800 0.800 CB 1.404 6 residues pruned to eliminate duplicates Z: 28 22.610 1.937 0.577 0.612 0.926 0.704 CB 1.384 28 residues pruned to eliminate duplicates Z: 16 22.659 2.072 0.666 0.725 0.867 0.533 CB 1.596 16 residues pruned to eliminate duplicates Z: 21 5.879 1.708 0.362 0.262 0.800 0.400 CB 0.927 21 residues pruned to eliminate duplicates Z: 6 3.674 1.714 0.229 0.616 1.000 0.800 CB 0.699 Z: 8 2.943 1.542 0.283 0.370 1.000 0.286 CA 0.647 8 residues pruned to eliminate duplicates Z: 11 6.806 1.686 0.528 0.747 1.000 0.600 CB 0.670 11 residues pruned to eliminate duplicates Z: 16 12.797 2.053 0.467 0.451 0.867 0.600 CB 1.331 16 residues pruned to eliminate duplicates Z: 15 5.420 1.500 0.533 0.359 0.786 0.286 CB 0.934 15 residues pruned to eliminate duplicates Z: 67 37.070 2.111 0.510 0.579 0.894 0.621 CA 1.485 67 residues pruned to eliminate duplicates Z: 10 16.136 1.931 0.871 0.590 1.000 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 16 17.681 1.735 0.542 0.747 1.000 0.733 CB 1.369 14 residues pruned to eliminate duplicates Z: 11 8.213 1.821 0.454 0.408 0.800 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 36 25.322 2.100 0.443 0.601 0.914 0.514 CA 1.404 36 residues pruned to eliminate duplicates Z: 14 7.376 1.772 0.331 0.433 0.846 0.538 CA 1.098 14 residues pruned to eliminate duplicates Z: 6 2.219 1.113 0.587 0.473 0.800 0.400 N 0.722 Z: 10 7.581 1.558 0.925 0.432 1.000 0.667 CA 0.904 10 residues pruned to eliminate duplicates Z: 9 8.445 1.814 0.558 0.554 1.000 0.625 CA 1.003 9 residues pruned to eliminate duplicates Z: 8 6.532 1.476 0.294 0.653 1.000 0.429 CA 1.122 Z: 6 3.639 1.608 0.001 0.636 0.800 0.800 C 1.113 Z: 9 11.938 1.789 0.608 0.698 0.875 0.750 CA 1.400 9 residues pruned to eliminate duplicates Z: 7 2.361 1.461 0.572 0.447 0.667 0.333 CB 0.665 Z: 6 2.826 1.129 0.640 0.559 1.000 0.200 O 0.645 Z: 9 6.525 1.521 0.349 0.620 0.875 0.875 CB 1.147 7 residues pruned to eliminate duplicates Z: 19 9.736 1.983 0.169 0.344 0.889 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 7 3.859 1.321 0.164 0.534 1.000 0.667 N 0.991 Z: 8 9.552 1.980 0.413 0.618 1.000 0.857 CB 1.153 8 residues pruned to eliminate duplicates Z: 9 2.975 1.285 0.155 0.400 0.875 0.625 N 0.900 Z: 11 5.317 1.795 0.087 0.466 0.700 0.700 CA 1.275 11 residues pruned to eliminate duplicates Z: 10 6.048 1.760 0.591 0.603 0.889 0.667 CB 0.734 10 residues pruned to eliminate duplicates Z: 8 2.276 1.351 0.357 0.309 0.714 0.571 CB 0.813 Z: 6 2.338 1.190 0.301 0.650 0.800 0.800 CB 0.734 Z: 13 6.816 1.756 0.005 0.538 1.000 0.917 CB 1.074 13 residues pruned to eliminate duplicates Z: 18 14.972 1.874 0.530 0.610 0.882 0.529 CB 1.293 18 residues pruned to eliminate duplicates Z: 6 3.157 1.520 0.003 0.473 0.800 0.400 N 1.191 Z: 14 7.083 1.781 0.317 0.364 0.846 0.538 CB 1.145 14 residues pruned to eliminate duplicates Z: 9 2.050 1.415 0.165 0.173 0.625 0.500 CA 1.045 Z: 25 18.638 2.050 0.679 0.351 0.875 0.375 CB 1.485 25 residues pruned to eliminate duplicates Z: 13 4.137 1.556 0.317 0.437 0.917 0.500 CB 0.679 Z: 33 15.050 1.840 0.335 0.457 0.938 0.594 CB 1.207 33 residues pruned to eliminate duplicates Z: 7 2.525 1.574 0.127 0.247 0.667 0.500 N 1.166 Z: 8 2.634 1.803 -0.285 0.399 0.857 0.714 CB 1.002 8 residues pruned to eliminate duplicates Z: 45 29.515 2.091 0.494 0.424 0.932 0.523 CB 1.655 38 residues pruned to eliminate duplicates Z: 19 14.566 2.105 0.585 0.311 0.833 0.556 CA 1.523 19 residues pruned to eliminate duplicates Z: 66 34.353 2.022 0.480 0.571 0.908 0.554 CA 1.465 66 residues pruned to eliminate duplicates Z: 11 4.579 1.583 0.165 0.313 0.800 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 6 3.743 1.250 0.664 0.744 0.800 0.800 C 0.809 Z: 21 10.265 1.797 0.281 0.432 0.900 0.500 CB 1.189 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 8.497 1.614 0.216 0.582 0.909 0.545 CB 1.327 11 residues pruned to eliminate duplicates Z: 6 3.689 1.425 0.660 0.291 0.800 0.600 C 1.102 6 residues pruned to eliminate duplicates Z: 8 10.966 1.878 0.188 0.685 1.000 0.571 N 1.568 16 residues pruned to eliminate duplicates Z: 7 3.969 1.732 0.374 0.499 0.833 0.333 CB 0.818 7 residues pruned to eliminate duplicates Z: 7 5.070 1.786 0.274 0.363 0.833 0.167 CA 1.264 7 residues pruned to eliminate duplicates Z: 9 4.885 1.877 0.411 0.303 0.750 0.250 CB 1.084 9 residues pruned to eliminate duplicates Z: 60 25.799 1.963 0.386 0.469 0.932 0.576 CB 1.366 60 residues pruned to eliminate duplicates Z: 58 28.295 1.996 0.420 0.474 0.965 0.561 CB 1.408 60 residues pruned to eliminate duplicates Z: 6 4.648 1.611 0.655 0.189 0.800 0.400 CB 1.414 6 residues pruned to eliminate duplicates Z: 52 25.000 2.002 0.377 0.465 0.922 0.549 CA 1.428 52 residues pruned to eliminate duplicates Z: 55 23.018 1.952 0.349 0.448 0.889 0.537 CB 1.412 55 residues pruned to eliminate duplicates Z: 56 25.784 1.997 0.374 0.441 0.945 0.527 CA 1.424 56 residues pruned to eliminate duplicates Z: 59 23.897 1.961 0.369 0.401 0.914 0.466 CB 1.420 59 residues pruned to eliminate duplicates Z: 15 7.461 1.778 0.419 0.280 0.786 0.429 CB 1.290 15 residues pruned to eliminate duplicates Z: 15 8.996 1.757 0.358 0.392 0.929 0.429 CB 1.217 15 residues pruned to eliminate duplicates Z: 52 24.168 1.991 0.357 0.443 0.922 0.529 CB 1.441 52 residues pruned to eliminate duplicates Z: 58 26.061 1.992 0.361 0.449 0.947 0.544 CA 1.416 58 residues pruned to eliminate duplicates Z: 62 24.827 1.951 0.378 0.446 0.918 0.557 CA 1.361 62 residues pruned to eliminate duplicates Z: 58 23.496 1.972 0.320 0.446 0.912 0.579 CB 1.386 58 residues pruned to eliminate duplicates Z: 46 20.941 1.955 0.313 0.437 0.933 0.556 CB 1.391 46 residues pruned to eliminate duplicates Z: 58 23.460 1.985 0.305 0.416 0.930 0.474 CB 1.408 58 residues pruned to eliminate duplicates Z: 6 2.971 1.503 0.338 0.408 1.000 0.600 CA 0.728 6 residues pruned to eliminate duplicates Z: 47 20.467 1.955 0.269 0.414 0.957 0.522 CB 1.391 47 residues pruned to eliminate duplicates Z: 56 25.048 1.963 0.318 0.418 1.000 0.509 CA 1.421 56 residues pruned to eliminate duplicates Z: 58 25.074 1.972 0.401 0.421 0.930 0.439 CA 1.404 59 residues pruned to eliminate duplicates Z: 6 5.068 1.878 0.467 0.441 0.800 0.800 CA 1.093 6 residues pruned to eliminate duplicates Z: 35 18.974 1.829 0.430 0.486 0.912 0.500 CB 1.384 35 residues pruned to eliminate duplicates Z: 43 18.854 1.921 0.354 0.329 0.952 0.500 CA 1.416 43 residues pruned to eliminate duplicates Z: 42 22.886 1.980 0.389 0.489 0.927 0.634 CB 1.418 42 residues pruned to eliminate duplicates Z: 40 23.344 2.017 0.364 0.489 0.949 0.744 CA 1.448 40 residues pruned to eliminate duplicates Z: 51 21.816 1.985 0.398 0.400 0.880 0.520 CB 1.405 51 residues pruned to eliminate duplicates Z: 40 23.239 2.019 0.336 0.499 1.000 0.667 CA 1.382 40 residues pruned to eliminate duplicates Z: 43 22.693 1.963 0.366 0.480 0.952 0.667 CA 1.399 43 residues pruned to eliminate duplicates Z: 28 19.674 2.025 0.429 0.533 0.926 0.630 CB 1.367 28 residues pruned to eliminate duplicates Z: 27 20.652 2.087 0.412 0.536 0.923 0.692 CB 1.436 27 residues pruned to eliminate duplicates Z: 7 7.860 1.932 0.424 0.484 1.000 0.833 CA 1.185 7 residues pruned to eliminate duplicates Z: 32 16.489 1.945 0.317 0.467 0.903 0.581 CB 1.324 32 residues pruned to eliminate duplicates Z: 55 23.335 1.987 0.363 0.423 0.907 0.537 CB 1.400 55 residues pruned to eliminate duplicates Z: 59 24.895 1.958 0.419 0.420 0.914 0.500 CB 1.400 59 residues pruned to eliminate duplicates Z: 41 23.718 2.001 0.345 0.523 0.975 0.625 CA 1.396 41 residues pruned to eliminate duplicates Z: 61 24.401 1.964 0.373 0.471 0.867 0.500 CB 1.387 61 residues pruned to eliminate duplicates Z: 58 25.368 1.997 0.429 0.452 0.877 0.509 CA 1.410 58 residues pruned to eliminate duplicates Z: 6 3.576 1.660 0.592 0.288 0.600 0.400 N 1.280 6 residues pruned to eliminate duplicates Z: 30 18.493 1.983 0.392 0.484 0.931 0.552 CB 1.358 30 residues pruned to eliminate duplicates Z: 10 15.462 2.182 0.435 0.653 1.000 0.667 CA 1.428 10 residues pruned to eliminate duplicates Z: 50 24.379 1.983 0.425 0.448 0.939 0.633 CB 1.385 50 residues pruned to eliminate duplicates Z: 56 26.269 1.998 0.425 0.434 0.945 0.455 CA 1.408 56 residues pruned to eliminate duplicates Z: 58 23.841 1.955 0.387 0.440 0.947 0.509 CB 1.308 58 residues pruned to eliminate duplicates Z: 26 20.018 2.074 0.434 0.512 0.960 0.560 CB 1.386 26 residues pruned to eliminate duplicates Z: 12 14.761 2.052 0.622 0.578 0.909 0.636 CB 1.364 12 residues pruned to eliminate duplicates Z: 12 8.127 1.778 0.444 0.454 0.909 0.364 CB 1.100 12 residues pruned to eliminate duplicates Z: 6 6.947 1.874 0.724 0.693 1.000 0.400 CA 0.806 6 residues pruned to eliminate duplicates Z: 12 7.059 1.797 0.484 0.372 0.909 0.364 CB 1.007 12 residues pruned to eliminate duplicates Z: 12 6.052 1.868 0.493 0.374 0.727 0.273 CB 1.030 12 residues pruned to eliminate duplicates Z: 11 7.371 1.888 0.455 0.424 0.900 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 8 4.255 1.839 0.344 0.313 0.714 0.286 CB 1.120 8 residues pruned to eliminate duplicates Z: 11 5.278 1.882 0.453 0.406 0.700 0.400 CB 0.963 11 residues pruned to eliminate duplicates Z: 12 7.060 1.892 0.346 0.374 0.909 0.364 CB 1.051 12 residues pruned to eliminate duplicates Z: 13 7.632 1.909 0.537 0.202 0.833 0.333 CA 1.284 7 residues pruned to eliminate duplicates Z: 6 3.262 1.359 0.493 0.282 1.000 0.200 CB 0.919 6 residues pruned to eliminate duplicates Z: 6 5.230 1.645 0.552 0.437 0.800 0.600 CA 1.223 6 residues pruned to eliminate duplicates Z: 12 8.232 1.959 0.438 0.226 0.909 0.364 CB 1.336 12 residues pruned to eliminate duplicates Z: 12 10.077 1.959 0.565 0.229 1.000 0.273 CA 1.359 13 residues pruned to eliminate duplicates Z: 7 9.822 1.700 0.673 0.664 1.000 0.500 CA 1.212 6 residues pruned to eliminate duplicates Z: 8 8.931 1.604 0.711 0.678 0.857 0.286 CA 1.218 8 residues pruned to eliminate duplicates Z: 13 12.327 1.893 0.703 0.363 1.000 0.583 CA 1.279 13 residues pruned to eliminate duplicates Z: 8 7.367 1.580 0.687 0.718 0.714 0.429 CB 1.200 7 residues pruned to eliminate duplicates Z: 7 11.637 2.028 0.342 0.716 1.000 0.667 CB 1.435 7 residues pruned to eliminate duplicates Z: 25 18.299 1.991 0.471 0.433 0.958 0.542 CA 1.427 25 residues pruned to eliminate duplicates Z: 24 17.392 1.983 0.607 0.437 0.870 0.739 CB 1.396 24 residues pruned to eliminate duplicates Z: 26 20.023 1.956 0.573 0.493 0.960 0.680 CB 1.365 27 residues pruned to eliminate duplicates Z: 8 9.833 1.714 0.489 0.515 1.000 0.857 C 1.435 8 residues pruned to eliminate duplicates Z: 25 18.137 1.983 0.532 0.445 0.917 0.708 CA 1.406 25 residues pruned to eliminate duplicates Z: 27 16.895 1.912 0.438 0.436 0.923 0.615 CA 1.395 27 residues pruned to eliminate duplicates Z: 24 18.441 2.013 0.432 0.482 0.957 0.565 CA 1.421 24 residues pruned to eliminate duplicates Z: 25 16.581 2.001 0.430 0.455 0.917 0.625 CA 1.351 25 residues pruned to eliminate duplicates Z: 23 17.476 2.046 0.488 0.451 0.909 0.682 CA 1.416 23 residues pruned to eliminate duplicates Z: 25 15.525 1.973 0.371 0.444 0.875 0.625 CA 1.419 25 residues pruned to eliminate duplicates Z: 25 16.956 1.907 0.496 0.477 0.958 0.583 CA 1.295 25 residues pruned to eliminate duplicates Z: 24 17.791 1.996 0.460 0.482 0.957 0.696 CA 1.356 24 residues pruned to eliminate duplicates Z: 24 17.939 2.015 0.484 0.447 0.957 0.609 CB 1.380 24 residues pruned to eliminate duplicates Z: 10 4.085 1.877 0.641 0.242 0.556 0.222 CB 1.072 10 residues pruned to eliminate duplicates Z: 24 17.230 1.984 0.434 0.459 0.913 0.652 CB 1.443 24 residues pruned to eliminate duplicates Z: 23 17.308 2.033 0.539 0.432 0.909 0.591 CA 1.393 23 residues pruned to eliminate duplicates Z: 24 17.219 2.005 0.540 0.428 0.913 0.609 CB 1.373 24 residues pruned to eliminate duplicates Z: 24 15.210 1.998 0.547 0.395 0.870 0.391 CB 1.319 24 residues pruned to eliminate duplicates Z: 7 4.456 1.675 0.114 0.420 1.000 0.667 CA 1.060 7 residues pruned to eliminate duplicates Z: 24 15.246 2.008 0.410 0.379 0.913 0.391 CB 1.398 24 residues pruned to eliminate duplicates Z: 16 10.609 1.809 0.382 0.487 0.933 0.400 CB 1.189 13 residues pruned to eliminate duplicates 6 1.892 1.474 -0.018 0.458 0.600 0.200 CA 1.017 ? Z: 6 5.002 1.682 0.446 0.312 1.000 0.800 CA 1.132 6 residues pruned to eliminate duplicates Z: 16 8.065 1.897 0.328 0.389 0.800 0.533 CB 1.162 16 residues pruned to eliminate duplicates Z: 16 10.547 1.933 0.412 0.375 0.867 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 16 10.078 1.916 0.298 0.392 0.867 0.467 CB 1.354 16 residues pruned to eliminate duplicates Z: 26 13.440 1.938 0.365 0.384 0.800 0.480 CB 1.437 33 residues pruned to eliminate duplicates Z: 7 4.700 1.683 0.215 0.502 1.000 0.833 CB 0.936 7 residues pruned to eliminate duplicates Z: 19 10.051 1.891 0.340 0.360 0.778 0.500 CB 1.398 19 residues pruned to eliminate duplicates Z: 22 10.069 1.855 0.303 0.334 0.857 0.476 CB 1.271 22 residues pruned to eliminate duplicates Z: 26 10.846 1.788 0.342 0.375 0.800 0.560 CB 1.291 26 residues pruned to eliminate duplicates Z: 20 11.005 1.914 0.220 0.331 0.842 0.474 CB 1.546 20 residues pruned to eliminate duplicates Z: 22 12.623 2.000 0.324 0.371 0.762 0.667 CB 1.567 22 residues pruned to eliminate duplicates Z: 16 7.593 1.821 0.334 0.288 0.800 0.333 CB 1.281 16 residues pruned to eliminate duplicates Z: 13 5.249 1.839 0.307 0.224 0.667 0.250 CA 1.306 13 residues pruned to eliminate duplicates Z: 56 30.379 2.020 0.386 0.580 0.909 0.545 CA 1.490 56 residues pruned to eliminate duplicates Z: 80 36.003 2.079 0.464 0.495 0.899 0.494 CA 1.488 80 residues pruned to eliminate duplicates Z: 41 25.904 2.003 0.514 0.569 0.875 0.550 CA 1.444 41 residues pruned to eliminate duplicates Z: 70 34.021 2.065 0.371 0.555 0.899 0.623 CB 1.526 70 residues pruned to eliminate duplicates Z: 13 6.107 1.827 0.366 0.286 0.667 0.167 N 1.348 13 residues pruned to eliminate duplicates Z: 34 13.481 1.945 0.299 0.342 0.848 0.485 CA 1.301 34 residues pruned to eliminate duplicates Z: 63 35.058 2.054 0.526 0.550 0.919 0.565 CA 1.473 63 residues pruned to eliminate duplicates Z: 54 32.590 2.055 0.399 0.629 0.962 0.717 CA 1.433 54 residues pruned to eliminate duplicates Z: 29 22.757 2.116 0.371 0.655 0.893 0.786 CA 1.438 29 residues pruned to eliminate duplicates Z: 65 33.963 2.017 0.440 0.565 0.953 0.594 CA 1.440 65 residues pruned to eliminate duplicates Z: 36 23.267 2.035 0.435 0.603 0.886 0.629 CA 1.378 36 residues pruned to eliminate duplicates Z: 11 9.733 1.998 0.357 0.425 0.800 0.600 CB 1.533 11 residues pruned to eliminate duplicates Z: 28 27.398 2.121 0.555 0.658 0.963 0.593 CA 1.434 28 residues pruned to eliminate duplicates Z: 24 10.179 1.949 0.419 0.302 0.739 0.348 CA 1.294 24 residues pruned to eliminate duplicates Z: 66 37.139 2.124 0.441 0.565 0.938 0.600 CA 1.506 66 residues pruned to eliminate duplicates Z: 26 22.247 2.102 0.366 0.706 0.880 0.720 CA 1.461 26 residues pruned to eliminate duplicates Z: 28 18.521 2.054 0.340 0.604 0.889 0.704 CA 1.320 28 residues pruned to eliminate duplicates Z: 51 32.583 2.034 0.458 0.622 0.940 0.600 CA 1.474 51 residues pruned to eliminate duplicates Z: 24 14.722 2.044 0.516 0.446 0.826 0.565 CA 1.267 24 residues pruned to eliminate duplicates Z: 69 37.719 2.093 0.454 0.552 0.971 0.574 CA 1.472 69 residues pruned to eliminate duplicates Z: 30 17.323 2.034 0.292 0.584 0.931 0.655 CA 1.213 30 residues pruned to eliminate duplicates Z: 71 35.193 2.085 0.401 0.549 0.914 0.586 CA 1.502 71 residues pruned to eliminate duplicates Z: 26 19.880 2.073 0.412 0.637 0.880 0.640 CA 1.358 26 residues pruned to eliminate duplicates Z: 60 31.795 2.058 0.396 0.579 0.932 0.542 CA 1.432 60 residues pruned to eliminate duplicates Z: 66 37.095 2.118 0.483 0.587 0.923 0.631 CA 1.459 66 residues pruned to eliminate duplicates Z: 25 24.787 2.138 0.427 0.729 0.958 0.583 CA 1.408 25 residues pruned to eliminate duplicates Z: 44 31.122 2.098 0.447 0.650 0.953 0.628 CA 1.426 44 residues pruned to eliminate duplicates Z: 32 26.613 2.102 0.511 0.633 0.903 0.516 CA 1.470 32 residues pruned to eliminate duplicates Z: 83 37.742 2.050 0.526 0.482 0.902 0.561 CA 1.504 83 residues pruned to eliminate duplicates Z: 36 26.251 2.041 0.489 0.575 0.943 0.571 CA 1.441 36 residues pruned to eliminate duplicates Z: 42 35.427 2.107 0.596 0.687 0.927 0.585 CA 1.495 42 residues pruned to eliminate duplicates Z: 53 35.140 2.114 0.466 0.599 0.942 0.558 CA 1.518 53 residues pruned to eliminate duplicates Z: 63 36.079 2.068 0.544 0.548 0.919 0.548 CA 1.490 63 residues pruned to eliminate duplicates Z: 26 26.231 2.100 0.603 0.703 0.920 0.680 CA 1.408 26 residues pruned to eliminate duplicates Z: 57 33.616 2.070 0.506 0.603 0.929 0.518 CA 1.406 57 residues pruned to eliminate duplicates Z: 59 35.143 2.071 0.530 0.588 0.948 0.552 CA 1.412 59 residues pruned to eliminate duplicates Z: 54 34.830 2.098 0.494 0.605 0.943 0.604 CA 1.465 54 residues pruned to eliminate duplicates Z: 46 25.765 2.039 0.463 0.534 0.867 0.467 CA 1.437 46 residues pruned to eliminate duplicates Z: 77 36.476 2.066 0.500 0.528 0.855 0.579 CB 1.536 77 residues pruned to eliminate duplicates Z: 18 14.456 1.956 0.450 0.512 0.941 0.588 CB 1.298 18 residues pruned to eliminate duplicates Z: 78 39.635 2.081 0.582 0.517 0.896 0.468 CA 1.505 78 residues pruned to eliminate duplicates Z: 52 34.493 2.096 0.512 0.635 0.922 0.451 CA 1.457 52 residues pruned to eliminate duplicates Z: 73 35.607 2.047 0.541 0.495 0.917 0.556 CA 1.458 73 residues pruned to eliminate duplicates Z: 54 25.395 2.003 0.529 0.427 0.849 0.509 CB 1.447 54 residues pruned to eliminate duplicates Z: 19 13.947 2.005 0.141 0.634 0.944 0.611 CB 1.342 19 residues pruned to eliminate duplicates Z: 50 35.831 2.093 0.507 0.630 0.959 0.694 CA 1.497 50 residues pruned to eliminate duplicates Z: 41 25.256 2.083 0.580 0.424 0.850 0.525 CA 1.545 41 residues pruned to eliminate duplicates Z: 16 15.518 2.063 0.388 0.619 1.000 0.733 CB 1.250 16 residues pruned to eliminate duplicates Z: 49 35.624 2.087 0.548 0.646 0.938 0.562 CA 1.482 49 residues pruned to eliminate duplicates Z: 21 26.136 2.110 0.777 0.618 0.950 0.450 CB 1.467 21 residues pruned to eliminate duplicates Z: 26 23.829 2.011 0.609 0.519 1.000 0.560 CA 1.445 26 residues pruned to eliminate duplicates Z: 21 21.760 2.028 0.682 0.590 0.950 0.250 CB 1.377 21 residues pruned to eliminate duplicates Z: 42 30.166 2.079 0.616 0.493 0.927 0.512 CB 1.524 42 residues pruned to eliminate duplicates Z: 25 21.791 2.061 0.504 0.496 0.958 0.500 CB 1.504 25 residues pruned to eliminate duplicates Z: 24 18.766 2.047 0.422 0.524 0.913 0.478 CB 1.438 24 residues pruned to eliminate duplicates Z: 45 26.890 2.101 0.529 0.477 0.841 0.477 CA 1.536 45 residues pruned to eliminate duplicates Z: 30 20.769 2.077 0.716 0.401 0.862 0.448 CA 1.393 30 residues pruned to eliminate duplicates Z: 30 20.859 2.115 0.551 0.370 0.931 0.517 CA 1.457 30 residues pruned to eliminate duplicates Z: 34 20.155 2.063 0.545 0.419 0.848 0.485 CA 1.412 34 residues pruned to eliminate duplicates Z: 25 18.458 2.124 0.462 0.353 0.875 0.458 CA 1.626 25 residues pruned to eliminate duplicates Z: 38 22.095 2.022 0.616 0.388 0.838 0.405 CA 1.494 38 residues pruned to eliminate duplicates Z: 80 35.734 2.059 0.475 0.499 0.886 0.468 CA 1.495 80 residues pruned to eliminate duplicates Z: 25 16.850 2.088 0.642 0.380 0.792 0.542 CA 1.441 25 residues pruned to eliminate duplicates Z: 19 18.062 2.115 0.596 0.380 0.889 0.333 CA 1.613 19 residues pruned to eliminate duplicates Z: 26 15.147 1.994 0.523 0.362 0.800 0.440 CA 1.446 26 residues pruned to eliminate duplicates Z: 25 20.183 2.104 0.676 0.328 0.875 0.500 CA 1.613 25 residues pruned to eliminate duplicates Z: 30 19.133 2.094 0.523 0.373 0.862 0.483 CA 1.480 30 residues pruned to eliminate duplicates Z: 27 19.886 2.107 0.735 0.390 0.846 0.462 CA 1.417 27 residues pruned to eliminate duplicates Z: 31 19.330 2.056 0.688 0.371 0.833 0.500 CA 1.401 31 residues pruned to eliminate duplicates Z: 25 16.994 2.048 0.621 0.378 0.792 0.417 CA 1.503 25 residues pruned to eliminate duplicates Z: 49 28.388 2.048 0.495 0.448 0.938 0.354 CB 1.506 49 residues pruned to eliminate duplicates Z: 46 29.282 2.062 0.693 0.470 0.889 0.511 CB 1.450 46 residues pruned to eliminate duplicates Z: 20 13.365 2.118 0.544 0.466 0.737 0.526 CB 1.317 20 residues pruned to eliminate duplicates Z: 71 37.189 2.087 0.565 0.536 0.900 0.543 CA 1.460 71 residues pruned to eliminate duplicates Z: 43 27.894 2.081 0.459 0.513 0.929 0.524 CA 1.507 43 residues pruned to eliminate duplicates Z: 25 13.504 2.013 0.476 0.412 0.750 0.542 CA 1.357 25 residues pruned to eliminate duplicates Z: 32 20.910 2.107 0.539 0.406 0.871 0.452 CA 1.468 32 residues pruned to eliminate duplicates Z: 24 15.308 2.072 0.401 0.423 0.826 0.435 CA 1.442 24 residues pruned to eliminate duplicates Z: 30 18.887 2.094 0.557 0.380 0.897 0.517 CA 1.363 30 residues pruned to eliminate duplicates Z: 12 10.253 1.839 0.571 0.633 0.818 0.636 CA 1.155 11 residues pruned to eliminate duplicates Z: 6 5.190 1.959 0.560 0.293 1.000 0.400 CB 0.958 6 residues pruned to eliminate duplicates Z: 14 5.520 1.845 0.304 0.253 0.846 0.692 CB 0.999 14 residues pruned to eliminate duplicates Z: 13 9.882 1.950 0.767 0.260 0.833 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 36 13.482 1.908 0.386 0.367 0.800 0.571 CB 1.242 36 residues pruned to eliminate duplicates Z: 29 11.884 1.847 0.554 0.290 0.857 0.536 CB 1.156 29 residues pruned to eliminate duplicates Z: 28 11.934 1.886 0.357 0.355 0.852 0.630 CB 1.232 28 residues pruned to eliminate duplicates Z: 28 13.967 1.999 0.306 0.370 0.889 0.630 CA 1.332 28 residues pruned to eliminate duplicates Z: 22 10.968 1.948 0.495 0.332 0.810 0.667 CB 1.219 22 residues pruned to eliminate duplicates Z: 26 13.564 1.834 0.607 0.315 0.880 0.560 CA 1.283 26 residues pruned to eliminate duplicates Z: 29 10.517 1.933 0.371 0.256 0.750 0.464 CB 1.323 29 residues pruned to eliminate duplicates Z: 18 11.934 2.025 0.251 0.420 0.882 0.588 CA 1.407 18 residues pruned to eliminate duplicates Z: 15 7.382 2.079 0.093 0.342 0.786 0.500 CB 1.312 15 residues pruned to eliminate duplicates Z: 26 12.639 1.956 0.438 0.320 0.880 0.560 CB 1.246 26 residues pruned to eliminate duplicates Z: 20 10.391 2.036 0.248 0.428 0.737 0.474 CA 1.372 20 residues pruned to eliminate duplicates Z: 29 10.881 1.933 0.297 0.311 0.786 0.536 CA 1.287 29 residues pruned to eliminate duplicates Z: 19 10.140 2.063 0.210 0.429 0.778 0.611 CB 1.325 19 residues pruned to eliminate duplicates Z: 33 13.293 1.947 0.336 0.323 0.844 0.562 CB 1.301 33 residues pruned to eliminate duplicates Z: 33 15.659 1.900 0.408 0.407 0.844 0.531 CB 1.352 34 residues pruned to eliminate duplicates Z: 8 7.193 1.732 0.559 0.380 1.000 0.429 CB 1.143 8 residues pruned to eliminate duplicates Z: 20 10.838 1.837 0.355 0.373 0.947 0.421 CB 1.208 20 residues pruned to eliminate duplicates Z: 22 10.158 1.826 0.387 0.409 0.810 0.571 CB 1.190 22 residues pruned to eliminate duplicates Z: 38 17.783 1.948 0.397 0.408 0.919 0.486 CB 1.287 38 residues pruned to eliminate duplicates Z: 19 14.810 1.932 0.503 0.546 1.000 0.722 CB 1.149 19 residues pruned to eliminate duplicates Z: 18 10.117 1.933 0.334 0.402 0.765 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 25 12.486 1.853 0.451 0.440 0.833 0.583 CB 1.210 25 residues pruned to eliminate duplicates Z: 22 12.267 1.913 0.287 0.475 0.905 0.571 CB 1.232 22 residues pruned to eliminate duplicates Z: 20 14.716 1.971 0.419 0.515 0.947 0.632 CB 1.255 20 residues pruned to eliminate duplicates Z: 27 12.692 1.836 0.400 0.447 0.846 0.577 CB 1.208 27 residues pruned to eliminate duplicates Z: 30 13.769 1.849 0.456 0.438 0.828 0.483 CB 1.223 30 residues pruned to eliminate duplicates Z: 25 14.029 1.916 0.454 0.390 0.958 0.500 CB 1.204 25 residues pruned to eliminate duplicates Z: 28 12.304 1.929 0.335 0.424 0.778 0.519 CB 1.279 28 residues pruned to eliminate duplicates Z: 29 13.563 1.945 0.323 0.428 0.786 0.464 CB 1.366 29 residues pruned to eliminate duplicates Z: 6 8.595 1.949 0.493 0.729 1.000 0.800 CB 1.075 Z: 7 4.723 1.698 0.838 0.321 1.000 0.333 CA 0.753 7 residues pruned to eliminate duplicates Z: 9 6.952 1.739 0.646 0.402 0.750 0.125 CB 1.270 9 residues pruned to eliminate duplicates Z: 10 5.129 1.779 0.520 0.296 0.667 0.222 CA 1.191 16 residues pruned to eliminate duplicates Z: 17 15.424 2.011 0.620 0.412 0.938 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 13 10.761 1.954 0.545 0.374 0.833 0.583 CA 1.414 13 residues pruned to eliminate duplicates Z: 17 14.486 2.067 0.510 0.378 0.938 0.562 CB 1.410 17 residues pruned to eliminate duplicates Z: 23 11.812 1.948 0.300 0.366 0.864 0.409 CB 1.330 23 residues pruned to eliminate duplicates Z: 17 11.470 2.024 0.373 0.361 0.875 0.562 CB 1.369 17 residues pruned to eliminate duplicates Z: 17 14.957 2.046 0.491 0.445 0.938 0.625 CB 1.384 17 residues pruned to eliminate duplicates Z: 23 12.230 1.952 0.434 0.340 0.818 0.500 CB 1.356 23 residues pruned to eliminate duplicates Z: 22 16.731 2.062 0.452 0.436 0.952 0.667 CB 1.369 22 residues pruned to eliminate duplicates Z: 21 18.333 2.092 0.572 0.427 0.900 0.550 CB 1.495 21 residues pruned to eliminate duplicates Z: 46 19.029 1.986 0.318 0.412 0.844 0.578 CB 1.408 46 residues pruned to eliminate duplicates Z: 16 14.309 2.075 0.571 0.411 0.867 0.667 CB 1.435 16 residues pruned to eliminate duplicates Z: 18 14.414 2.045 0.445 0.448 0.824 0.529 CB 1.514 18 residues pruned to eliminate duplicates Z: 20 12.462 1.916 0.427 0.392 0.842 0.579 CB 1.392 20 residues pruned to eliminate duplicates Z: 17 14.819 1.951 0.603 0.448 0.938 0.688 CB 1.332 17 residues pruned to eliminate duplicates Z: 21 7.936 1.811 0.281 0.266 0.750 0.450 CB 1.331 21 residues pruned to eliminate duplicates Z: 13 9.783 2.037 0.327 0.347 0.833 0.500 CB 1.479 13 residues pruned to eliminate duplicates Z: 18 7.121 1.871 0.159 0.283 0.765 0.235 CB 1.330 19 residues pruned to eliminate duplicates Z: 7 3.312 1.665 0.334 0.324 0.667 0.333 N 1.108 7 residues pruned to eliminate duplicates Z: 30 18.504 2.033 0.537 0.395 0.897 0.586 CB 1.370 30 residues pruned to eliminate duplicates Z: 11 8.122 1.919 0.567 0.406 0.700 0.500 CA 1.347 11 residues pruned to eliminate duplicates Z: 14 9.514 2.009 0.521 0.400 0.692 0.692 CA 1.386 14 residues pruned to eliminate duplicates Z: 30 39.774 2.248 0.772 0.757 0.931 0.793 CA 1.585 30 residues pruned to eliminate duplicates Z: 30 18.859 2.000 0.600 0.441 0.793 0.517 CB 1.466 30 residues pruned to eliminate duplicates Z: 70 47.523 2.179 0.673 0.578 0.971 0.609 CB 1.499 70 residues pruned to eliminate duplicates Z: 72 50.865 2.187 0.736 0.561 0.972 0.620 CB 1.543 72 residues pruned to eliminate duplicates Z: 46 38.769 2.181 0.541 0.715 0.956 0.667 CA 1.482 46 residues pruned to eliminate duplicates Z: 27 27.552 2.200 0.532 0.629 1.000 0.692 CA 1.421 27 residues pruned to eliminate duplicates Z: 73 43.257 2.171 0.635 0.510 0.917 0.500 CB 1.551 73 residues pruned to eliminate duplicates Z: 46 38.965 2.175 0.578 0.693 0.978 0.756 CB 1.451 46 residues pruned to eliminate duplicates Z: 75 48.407 2.159 0.658 0.603 0.946 0.676 CB 1.506 75 residues pruned to eliminate duplicates Z: 77 47.864 2.157 0.698 0.561 0.921 0.579 CB 1.534 77 residues pruned to eliminate duplicates Z: 39 35.374 2.189 0.508 0.690 0.947 0.605 CA 1.542 39 residues pruned to eliminate duplicates Z: 73 43.114 2.150 0.576 0.545 0.958 0.583 CB 1.497 73 residues pruned to eliminate duplicates Z: 34 28.635 2.146 0.536 0.598 0.879 0.636 CA 1.568 34 residues pruned to eliminate duplicates Z: 55 40.869 2.161 0.605 0.636 0.944 0.648 CA 1.494 55 residues pruned to eliminate duplicates Z: 72 45.371 2.181 0.614 0.581 0.958 0.634 CB 1.478 72 residues pruned to eliminate duplicates Z: 75 44.113 2.162 0.649 0.562 0.919 0.635 CB 1.475 75 residues pruned to eliminate duplicates Z: 66 49.677 2.218 0.664 0.600 0.985 0.692 CB 1.541 66 residues pruned to eliminate duplicates Z: 82 45.691 2.141 0.696 0.529 0.914 0.593 CB 1.488 82 residues pruned to eliminate duplicates Z: 38 41.441 2.171 0.874 0.646 0.973 0.676 CA 1.501 38 residues pruned to eliminate duplicates Z: 37 36.661 2.176 0.842 0.623 0.917 0.556 CA 1.480 37 residues pruned to eliminate duplicates Z: 74 52.594 2.212 0.718 0.595 0.959 0.630 CB 1.542 74 residues pruned to eliminate duplicates Z: 76 53.376 2.166 0.803 0.581 0.960 0.600 CB 1.520 74 residues pruned to eliminate duplicates Z: 20 43.654 2.381 1.011 0.925 0.895 0.579 CB 1.641 20 residues pruned to eliminate duplicates Z: 50 43.691 2.191 0.710 0.632 0.939 0.653 CB 1.568 50 residues pruned to eliminate duplicates Z: 77 47.954 2.152 0.790 0.570 0.921 0.526 CB 1.448 77 residues pruned to eliminate duplicates Z: 36 40.594 2.209 0.873 0.664 0.971 0.571 CA 1.467 36 residues pruned to eliminate duplicates Z: 62 49.061 2.237 0.803 0.591 0.934 0.590 CB 1.528 62 residues pruned to eliminate duplicates Z: 35 42.011 2.197 0.897 0.677 0.941 0.676 CA 1.561 35 residues pruned to eliminate duplicates Z: 39 37.100 2.158 0.758 0.656 0.895 0.579 CB 1.534 39 residues pruned to eliminate duplicates Z: 34 43.326 2.228 0.881 0.683 0.970 0.636 CA 1.569 34 residues pruned to eliminate duplicates Z: 74 49.856 2.211 0.666 0.589 0.945 0.562 CB 1.539 74 residues pruned to eliminate duplicates Z: 36 38.847 2.212 0.781 0.665 0.971 0.686 CA 1.473 36 residues pruned to eliminate duplicates Z: 60 40.652 2.182 0.702 0.584 0.898 0.492 CA 1.463 60 residues pruned to eliminate duplicates Z: 75 42.814 2.119 0.723 0.497 0.919 0.432 CB 1.488 75 residues pruned to eliminate duplicates Z: 77 51.263 2.141 0.785 0.556 0.947 0.579 CB 1.538 77 residues pruned to eliminate duplicates Z: 70 44.960 2.207 0.669 0.563 0.928 0.536 CB 1.490 70 residues pruned to eliminate duplicates Z: 56 32.124 2.130 0.734 0.509 0.873 0.418 CB 1.332 56 residues pruned to eliminate duplicates Z: 71 45.780 2.193 0.695 0.556 0.929 0.543 CB 1.501 71 residues pruned to eliminate duplicates Z: 36 26.553 2.159 0.611 0.482 0.943 0.457 CB 1.395 36 residues pruned to eliminate duplicates Z: 50 24.516 2.016 0.584 0.416 0.878 0.408 CB 1.365 50 residues pruned to eliminate duplicates Z: 73 45.239 2.160 0.663 0.537 0.972 0.500 CB 1.473 73 residues pruned to eliminate duplicates Z: 36 29.799 2.147 0.803 0.463 0.971 0.514 CB 1.391 36 residues pruned to eliminate duplicates Z: 39 26.978 2.126 0.500 0.468 0.974 0.526 CB 1.455 39 residues pruned to eliminate duplicates Z: 81 53.580 2.172 0.726 0.575 0.963 0.562 CB 1.544 81 residues pruned to eliminate duplicates Z: 33 26.374 2.170 0.747 0.490 0.875 0.594 CB 1.419 33 residues pruned to eliminate duplicates Z: 72 51.372 2.216 0.785 0.596 0.944 0.577 CB 1.490 72 residues pruned to eliminate duplicates Z: 45 29.614 2.161 0.583 0.496 0.932 0.500 CB 1.407 45 residues pruned to eliminate duplicates Z: 81 46.129 2.132 0.704 0.541 0.900 0.562 CB 1.515 81 residues pruned to eliminate duplicates Z: 68 46.804 2.192 0.713 0.603 0.896 0.567 CB 1.542 68 residues pruned to eliminate duplicates Z: 20 16.630 2.078 0.757 0.314 0.842 0.579 CB 1.524 20 residues pruned to eliminate duplicates Z: 30 20.098 2.071 0.704 0.364 0.897 0.586 CB 1.365 30 residues pruned to eliminate duplicates Z: 75 52.148 2.191 0.697 0.581 0.973 0.527 CA 1.550 75 residues pruned to eliminate duplicates Z: 35 20.872 1.941 0.675 0.386 0.941 0.529 CB 1.321 35 residues pruned to eliminate duplicates Z: 46 28.995 2.128 0.672 0.479 0.844 0.489 CB 1.470 47 residues pruned to eliminate duplicates Z: 6 3.270 1.322 0.866 0.373 0.800 0.400 CA 0.849 6 residues pruned to eliminate duplicates Z: 70 46.285 2.193 0.809 0.558 0.884 0.551 CB 1.501 70 residues pruned to eliminate duplicates Z: 49 27.759 2.075 0.831 0.476 0.854 0.479 CB 1.266 49 residues pruned to eliminate duplicates Z: 31 27.021 2.171 0.905 0.409 0.900 0.600 CB 1.459 31 residues pruned to eliminate duplicates Z: 74 46.227 2.142 0.764 0.551 0.918 0.575 CB 1.485 74 residues pruned to eliminate duplicates Z: 20 11.602 1.970 0.560 0.313 0.789 0.526 CB 1.350 20 residues pruned to eliminate duplicates Z: 23 20.948 2.082 0.720 0.444 0.955 0.591 CB 1.384 23 residues pruned to eliminate duplicates Z: 31 27.367 2.144 0.989 0.384 0.867 0.467 CB 1.530 31 residues pruned to eliminate duplicates Z: 15 19.895 1.972 0.765 0.611 1.000 0.786 CA 1.375 15 residues pruned to eliminate duplicates Z: 23 18.508 2.086 0.562 0.436 0.909 0.545 CB 1.422 23 residues pruned to eliminate duplicates Z: 72 49.609 2.186 0.769 0.596 0.930 0.577 CB 1.495 72 residues pruned to eliminate duplicates Z: 8 5.008 1.685 0.621 0.242 0.714 0.429 CB 1.308 8 residues pruned to eliminate duplicates Z: 9 3.465 1.492 0.611 0.166 0.750 0.375 CB 1.020 5 residues pruned to eliminate duplicates Z: 10 13.501 1.873 0.721 0.766 0.889 0.444 CA 1.241 10 residues pruned to eliminate duplicates Z: 18 17.075 1.922 0.619 0.458 0.941 0.412 CB 1.476 18 residues pruned to eliminate duplicates Z: 20 13.152 1.929 0.620 0.357 0.842 0.368 CA 1.338 20 residues pruned to eliminate duplicates Z: 30 18.662 1.958 0.459 0.467 0.897 0.517 CA 1.399 30 residues pruned to eliminate duplicates Z: 21 14.662 1.899 0.484 0.449 0.900 0.500 CA 1.361 21 residues pruned to eliminate duplicates Z: 17 10.671 1.940 0.380 0.375 0.875 0.312 CA 1.301 17 residues pruned to eliminate duplicates Z: 22 13.625 1.821 0.291 0.463 0.905 0.429 CB 1.451 22 residues pruned to eliminate duplicates Z: 20 12.679 1.880 0.554 0.357 0.842 0.474 CB 1.380 20 residues pruned to eliminate duplicates Z: 13 16.182 1.969 0.465 0.541 1.000 0.500 CA 1.555 13 residues pruned to eliminate duplicates Z: 18 13.113 1.822 0.346 0.499 0.882 0.471 CB 1.471 18 residues pruned to eliminate duplicates Z: 35 15.646 1.809 0.497 0.366 0.824 0.441 CB 1.389 35 residues pruned to eliminate duplicates Z: 17 10.436 1.873 0.419 0.375 0.812 0.438 CA 1.380 17 residues pruned to eliminate duplicates Z: 69 30.026 1.933 0.476 0.509 0.897 0.588 CA 1.411 102 residues pruned to eliminate duplicates Z: 6 2.503 1.547 1.142 0.201 0.600 0.400 CB 0.803 6 residues pruned to eliminate duplicates Z: 36 17.493 1.865 0.453 0.423 0.886 0.486 CA 1.334 36 residues pruned to eliminate duplicates Z: 21 12.824 1.906 0.462 0.369 0.850 0.450 CA 1.393 21 residues pruned to eliminate duplicates Z: 28 16.778 1.989 0.366 0.450 0.889 0.519 CA 1.407 28 residues pruned to eliminate duplicates Z: 17 12.161 1.900 0.312 0.470 0.938 0.688 CA 1.342 17 residues pruned to eliminate duplicates Z: 14 12.758 1.997 0.369 0.552 0.923 0.692 CA 1.332 14 residues pruned to eliminate duplicates Z: 28 16.155 1.948 0.409 0.451 0.852 0.667 CA 1.398 28 residues pruned to eliminate duplicates Z: 12 9.654 1.902 0.515 0.478 0.818 0.545 CA 1.262 12 residues pruned to eliminate duplicates Z: 12 6.697 1.886 0.183 0.496 0.818 0.545 CA 1.111 12 residues pruned to eliminate duplicates Z: 32 17.216 1.896 0.405 0.437 0.839 0.548 CA 1.477 32 residues pruned to eliminate duplicates Z: 14 9.446 1.877 0.406 0.495 0.846 0.385 CA 1.179 14 residues pruned to eliminate duplicates Z: 31 14.538 1.884 0.526 0.375 0.767 0.400 CA 1.375 31 residues pruned to eliminate duplicates Z: 31 18.603 1.917 0.393 0.428 0.900 0.467 CA 1.522 31 residues pruned to eliminate duplicates Z: 15 11.853 1.867 0.432 0.484 0.857 0.571 CA 1.405 15 residues pruned to eliminate duplicates Z: 15 11.800 2.106 0.509 0.369 0.857 0.643 CA 1.332 16 residues pruned to eliminate duplicates Z: 6 4.991 1.549 0.479 0.457 1.000 0.800 CA 1.018 6 residues pruned to eliminate duplicates Z: 17 11.922 1.971 0.531 0.368 0.812 0.500 CA 1.400 15 residues pruned to eliminate duplicates Z: 7 6.514 1.621 0.734 0.375 1.000 0.167 CB 1.081 8 residues pruned to eliminate duplicates Z: 14 10.276 1.690 0.266 0.619 0.923 0.462 CA 1.290 14 residues pruned to eliminate duplicates Z: 64 41.475 2.049 0.557 0.633 1.000 0.651 CA 1.445 70 residues pruned to eliminate duplicates Z: 11 9.864 1.740 0.415 0.802 0.800 0.600 CA 1.217 11 residues pruned to eliminate duplicates Z: 50 37.398 2.020 0.732 0.680 0.959 0.592 CB 1.350 50 residues pruned to eliminate duplicates Z: 66 39.162 1.969 0.686 0.587 0.923 0.585 CA 1.458 48 residues pruned to eliminate duplicates Z: 10 10.710 1.859 0.497 0.793 0.778 0.556 CA 1.275 10 residues pruned to eliminate duplicates Z: 34 22.122 1.990 0.536 0.533 0.879 0.576 CA 1.387 34 residues pruned to eliminate duplicates Z: 9 11.933 1.950 0.379 0.868 0.875 0.625 CA 1.310 Z: 16 17.172 1.967 0.555 0.776 1.000 0.600 CA 1.136 25 residues pruned to eliminate duplicates Z: 52 40.400 1.996 0.760 0.675 0.961 0.667 CB 1.426 52 residues pruned to eliminate duplicates Z: 65 37.469 2.004 0.643 0.614 0.953 0.594 CB 1.340 42 residues pruned to eliminate duplicates Z: 11 15.436 1.845 0.508 0.797 1.000 0.700 CA 1.352 11 residues pruned to eliminate duplicates Z: 64 36.041 2.020 0.500 0.607 0.937 0.714 CA 1.446 46 residues pruned to eliminate duplicates Z: 14 13.292 1.954 0.719 0.638 0.846 0.538 CA 1.140 Z: 9 7.706 1.609 0.545 0.533 0.875 0.625 CA 1.212 Z: 65 34.125 1.999 0.518 0.559 0.953 0.672 CB 1.393 91 residues pruned to eliminate duplicates Z: 6 2.698 1.877 0.214 0.366 1.000 0.400 CA 0.611 6 residues pruned to eliminate duplicates Z: 40 28.476 2.072 0.565 0.512 0.974 0.641 CA 1.425 40 residues pruned to eliminate duplicates Z: 26 11.157 1.753 0.558 0.320 0.800 0.360 CA 1.246 Z: 6 4.929 1.384 1.415 0.425 0.800 0.400 C 0.891 Z: 6 3.403 1.468 0.941 0.289 0.600 0.600 CA 1.129 Z: 6 9.916 1.710 1.079 0.463 1.000 0.800 N 1.295 Z: 14 11.770 2.076 0.626 0.369 0.846 0.462 CA 1.316 27 residues pruned to eliminate duplicates Z: 48 31.044 2.028 0.544 0.553 0.957 0.681 CA 1.435 43 residues pruned to eliminate duplicates Z: 6 4.973 1.688 0.670 0.486 1.000 0.800 CA 0.800 Z: 25 25.528 2.064 0.753 0.669 0.958 0.542 CB 1.285 25 residues pruned to eliminate duplicates Z: 22 22.197 2.066 0.572 0.648 0.905 0.762 CB 1.435 22 residues pruned to eliminate duplicates Z: 36 30.246 2.031 0.601 0.633 0.943 0.714 CB 1.472 36 residues pruned to eliminate duplicates Z: 43 33.757 1.988 0.513 0.748 1.000 0.810 CA 1.387 43 residues pruned to eliminate duplicates Z: 22 20.288 2.052 0.663 0.517 0.857 0.619 CA 1.489 22 residues pruned to eliminate duplicates Z: 64 32.470 1.933 0.605 0.532 0.905 0.619 CA 1.413 67 residues pruned to eliminate duplicates Z: 19 23.562 2.088 0.449 0.826 1.000 0.833 CB 1.384 Z: 35 28.359 2.034 0.504 0.665 0.912 0.706 CB 1.497 57 residues pruned to eliminate duplicates Z: 23 30.641 1.935 0.564 0.900 1.000 0.727 CB 1.542 25 residues pruned to eliminate duplicates Z: 25 26.432 2.070 0.595 0.681 0.958 0.583 CB 1.444 25 residues pruned to eliminate duplicates Z: 23 21.040 2.026 0.388 0.755 0.955 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 33 30.891 2.039 0.626 0.672 0.969 0.562 CB 1.450 33 residues pruned to eliminate duplicates Z: 27 22.203 2.006 0.516 0.639 0.923 0.577 CB 1.362 27 residues pruned to eliminate duplicates Z: 36 27.187 1.978 0.428 0.676 0.914 0.714 CB 1.513 36 residues pruned to eliminate duplicates Z: 35 26.771 2.010 0.529 0.653 0.912 0.765 CB 1.420 35 residues pruned to eliminate duplicates Z: 48 26.215 1.989 0.464 0.543 0.915 0.532 CA 1.376 48 residues pruned to eliminate duplicates Z: 60 36.498 1.965 0.732 0.544 0.932 0.576 CA 1.436 56 residues pruned to eliminate duplicates Z: 32 27.931 2.041 0.424 0.717 0.968 0.613 CB 1.465 32 residues pruned to eliminate duplicates Z: 34 32.743 2.048 0.667 0.698 0.939 0.697 CB 1.483 34 residues pruned to eliminate duplicates Z: 35 30.895 2.029 0.622 0.651 0.941 0.618 CB 1.486 35 residues pruned to eliminate duplicates Z: 42 22.856 1.951 0.393 0.565 0.927 0.683 CA 1.332 42 residues pruned to eliminate duplicates Z: 33 31.149 2.029 0.581 0.708 0.969 0.719 CA 1.467 33 residues pruned to eliminate duplicates Z: 36 28.128 1.981 0.575 0.651 0.943 0.629 CB 1.403 36 residues pruned to eliminate duplicates Z: 57 36.481 1.947 0.627 0.657 0.946 0.679 CB 1.405 57 residues pruned to eliminate duplicates Z: 62 40.342 2.040 0.623 0.612 0.934 0.607 CA 1.501 62 residues pruned to eliminate duplicates Z: 28 14.516 1.959 0.254 0.405 0.926 0.481 CB 1.357 28 residues pruned to eliminate duplicates Z: 22 12.299 1.937 0.320 0.393 0.952 0.571 CB 1.235 22 residues pruned to eliminate duplicates Z: 34 15.177 1.890 0.338 0.435 0.909 0.606 CB 1.230 34 residues pruned to eliminate duplicates Z: 6 6.269 1.998 0.308 0.459 0.800 0.600 CA 1.397 6 residues pruned to eliminate duplicates Z: 22 10.485 1.905 0.263 0.318 0.857 0.429 CB 1.356 22 residues pruned to eliminate duplicates Z: 34 14.159 1.862 0.393 0.428 0.879 0.515 CB 1.165 34 residues pruned to eliminate duplicates Z: 27 12.081 1.984 0.188 0.379 0.885 0.538 CB 1.293 27 residues pruned to eliminate duplicates Z: 28 14.493 1.942 0.208 0.407 1.000 0.481 CB 1.312 28 residues pruned to eliminate duplicates Z: 20 10.045 1.913 0.241 0.421 0.947 0.579 CB 1.113 20 residues pruned to eliminate duplicates Z: 30 11.342 1.761 0.408 0.340 0.897 0.517 CB 1.128 30 residues pruned to eliminate duplicates Z: 22 10.404 1.868 0.360 0.299 0.905 0.476 CB 1.236 22 residues pruned to eliminate duplicates Z: 34 13.999 1.840 0.269 0.426 0.970 0.576 CB 1.162 35 residues pruned to eliminate duplicates Z: 6 2.451 1.635 0.538 0.188 0.600 0.600 CB 1.055 6 residues pruned to eliminate duplicates Z: 20 9.772 1.975 0.263 0.287 0.842 0.368 CB 1.356 20 residues pruned to eliminate duplicates Z: 28 12.800 1.928 0.258 0.375 0.889 0.556 CB 1.306 28 residues pruned to eliminate duplicates Z: 32 9.972 1.787 0.284 0.248 0.839 0.355 CB 1.244 32 residues pruned to eliminate duplicates Z: 27 11.322 1.900 0.245 0.362 0.846 0.538 CB 1.287 27 residues pruned to eliminate duplicates Z: 28 11.632 1.916 0.256 0.343 0.889 0.593 CB 1.241 28 residues pruned to eliminate duplicates Z: 37 13.871 1.841 0.217 0.417 0.917 0.611 CB 1.228 37 residues pruned to eliminate duplicates Z: 28 13.034 1.923 0.227 0.401 0.963 0.519 CB 1.224 28 residues pruned to eliminate duplicates Z: 28 12.940 1.913 0.353 0.369 0.889 0.444 CB 1.246 28 residues pruned to eliminate duplicates Z: 28 11.087 1.934 0.182 0.346 0.852 0.370 CB 1.296 28 residues pruned to eliminate duplicates Z: 42 21.650 1.952 0.441 0.462 0.927 0.585 CB 1.348 42 residues pruned to eliminate duplicates Z: 18 9.590 1.834 0.319 0.448 0.882 0.412 CA 1.149 18 residues pruned to eliminate duplicates Z: 15 10.807 1.874 0.436 0.361 0.857 0.286 CA 1.455 15 residues pruned to eliminate duplicates Z: 50 17.112 1.890 0.313 0.387 0.878 0.490 CA 1.266 50 residues pruned to eliminate duplicates Z: 28 14.863 1.913 0.332 0.423 0.889 0.630 CA 1.368 28 residues pruned to eliminate duplicates Z: 50 20.813 1.954 0.376 0.427 0.857 0.592 CB 1.391 50 residues pruned to eliminate duplicates Z: 20 14.211 1.868 0.581 0.335 0.895 0.316 CB 1.478 20 residues pruned to eliminate duplicates Z: 42 23.388 2.001 0.351 0.459 0.951 0.634 CB 1.482 45 residues pruned to eliminate duplicates Z: 6 4.926 1.898 0.067 0.428 0.800 0.600 CA 1.466 6 residues pruned to eliminate duplicates Z: 42 21.022 1.942 0.507 0.411 0.902 0.561 CB 1.365 42 residues pruned to eliminate duplicates Z: 55 24.148 1.930 0.499 0.424 0.889 0.500 CA 1.383 53 residues pruned to eliminate duplicates Z: 6 8.032 1.727 0.729 0.391 1.000 0.600 CA 1.349 6 residues pruned to eliminate duplicates Z: 15 8.414 1.772 0.353 0.334 0.857 0.500 CA 1.311 15 residues pruned to eliminate duplicates Z: 41 20.616 1.957 0.355 0.502 0.900 0.575 CB 1.362 41 residues pruned to eliminate duplicates Z: 42 21.066 1.949 0.418 0.460 0.927 0.537 CB 1.338 43 residues pruned to eliminate duplicates Z: 6 2.258 1.331 0.517 0.449 0.800 0.400 CA 0.659 6 residues pruned to eliminate duplicates Z: 36 16.535 1.925 0.394 0.393 0.857 0.514 CB 1.361 36 residues pruned to eliminate duplicates Z: 26 17.375 2.033 0.466 0.493 0.880 0.640 CA 1.334 26 residues pruned to eliminate duplicates Z: 23 17.156 1.982 0.498 0.428 0.864 0.636 CB 1.538 23 residues pruned to eliminate duplicates Z: 36 17.076 1.928 0.358 0.418 0.857 0.514 CB 1.402 36 residues pruned to eliminate duplicates Z: 16 7.451 1.899 0.364 0.301 0.800 0.400 CB 1.159 16 residues pruned to eliminate duplicates Z: 14 7.969 1.920 0.264 0.310 0.923 0.462 CB 1.217 14 residues pruned to eliminate duplicates Z: 17 10.347 1.881 0.341 0.324 0.875 0.562 CB 1.422 17 residues pruned to eliminate duplicates Z: 54 22.763 1.963 0.379 0.415 0.887 0.547 CA 1.423 54 residues pruned to eliminate duplicates Z: 23 9.734 1.879 0.468 0.306 0.773 0.409 CB 1.208 23 residues pruned to eliminate duplicates Z: 21 11.487 1.829 0.654 0.378 0.800 0.500 CB 1.209 21 residues pruned to eliminate duplicates Z: 16 12.408 1.973 0.630 0.336 0.867 0.400 CB 1.375 16 residues pruned to eliminate duplicates Z: 24 10.006 1.859 0.406 0.244 0.826 0.522 CB 1.299 24 residues pruned to eliminate duplicates Z: 26 14.016 1.963 0.453 0.401 0.800 0.640 CA 1.364 26 residues pruned to eliminate duplicates Z: 42 20.207 1.943 0.460 0.427 0.927 0.537 CB 1.296 41 residues pruned to eliminate duplicates 6 1.842 1.505 0.120 0.455 0.600 0.400 CA 0.853 ? Z: 6 7.973 1.835 0.686 0.434 1.000 0.400 CA 1.234 6 residues pruned to eliminate duplicates Z: 10 4.265 1.894 0.260 0.198 0.778 0.333 CB 1.097 10 residues pruned to eliminate duplicates Z: 9 5.345 1.718 0.384 0.322 0.875 0.500 CA 1.105 9 residues pruned to eliminate duplicates Z: 31 14.133 1.916 0.390 0.409 0.833 0.567 CB 1.279 31 residues pruned to eliminate duplicates Z: 23 10.680 1.918 0.387 0.358 0.909 0.591 CB 1.097 23 residues pruned to eliminate duplicates Z: 15 11.584 1.915 0.450 0.496 0.929 0.571 CB 1.205 15 residues pruned to eliminate duplicates Z: 23 11.843 1.981 0.418 0.377 0.909 0.455 CB 1.127 23 residues pruned to eliminate duplicates Z: 15 10.686 1.916 0.349 0.481 0.929 0.571 CB 1.213 15 residues pruned to eliminate duplicates Z: 14 12.774 1.985 0.456 0.508 0.923 0.615 CB 1.317 14 residues pruned to eliminate duplicates Z: 13 10.648 1.985 0.589 0.447 0.917 0.500 CB 1.123 13 residues pruned to eliminate duplicates Z: 27 8.984 1.823 0.330 0.317 0.846 0.538 CB 1.051 27 residues pruned to eliminate duplicates Z: 15 7.230 1.945 0.451 0.310 0.714 0.500 CB 1.184 15 residues pruned to eliminate duplicates Z: 16 9.213 1.848 0.372 0.443 0.933 0.533 CB 1.066 16 residues pruned to eliminate duplicates Z: 15 7.493 1.844 0.481 0.332 0.786 0.357 N 1.122 15 residues pruned to eliminate duplicates Z: 13 8.399 1.935 0.382 0.417 0.917 0.500 CA 1.079 13 residues pruned to eliminate duplicates Z: 27 16.580 2.061 0.401 0.401 0.885 0.500 CB 1.414 27 residues pruned to eliminate duplicates Z: 22 10.249 1.838 0.452 0.342 0.905 0.476 CB 1.099 22 residues pruned to eliminate duplicates Z: 30 14.620 1.987 0.356 0.405 0.759 0.448 CB 1.469 30 residues pruned to eliminate duplicates Z: 19 14.550 1.966 0.401 0.453 0.889 0.556 N 1.469 19 residues pruned to eliminate duplicates Z: 27 17.027 2.026 0.519 0.385 0.846 0.577 CB 1.448 27 residues pruned to eliminate duplicates Z: 27 13.939 2.004 0.482 0.375 0.731 0.423 CA 1.439 27 residues pruned to eliminate duplicates Z: 29 18.306 2.054 0.425 0.467 0.857 0.464 CA 1.426 29 residues pruned to eliminate duplicates Z: 28 15.691 2.018 0.427 0.405 0.852 0.481 CB 1.361 28 residues pruned to eliminate duplicates Z: 30 13.303 1.936 0.413 0.383 0.793 0.448 CB 1.289 30 residues pruned to eliminate duplicates Z: 29 14.670 2.022 0.457 0.402 0.750 0.571 CB 1.390 29 residues pruned to eliminate duplicates Z: 29 14.590 2.006 0.333 0.410 0.786 0.429 CB 1.442 29 residues pruned to eliminate duplicates Z: 13 9.559 2.072 0.485 0.387 0.750 0.500 CB 1.349 13 residues pruned to eliminate duplicates Z: 26 15.738 2.017 0.548 0.364 0.840 0.600 CA 1.389 26 residues pruned to eliminate duplicates Z: 26 11.952 1.871 0.547 0.376 0.800 0.560 CB 1.178 26 residues pruned to eliminate duplicates Z: 29 15.406 1.918 0.511 0.425 0.893 0.464 CB 1.217 29 residues pruned to eliminate duplicates Z: 14 10.621 2.000 0.299 0.436 0.846 0.385 CB 1.432 14 residues pruned to eliminate duplicates Z: 14 10.619 1.990 0.558 0.342 0.769 0.385 CB 1.467 14 residues pruned to eliminate duplicates Z: 21 10.001 2.007 0.302 0.277 0.750 0.400 CB 1.469 21 residues pruned to eliminate duplicates Z: 22 9.714 2.036 0.386 0.305 0.667 0.381 CB 1.399 22 residues pruned to eliminate duplicates Z: 22 6.727 1.937 0.239 0.238 0.619 0.476 CB 1.338 22 residues pruned to eliminate duplicates Z: 25 17.532 2.014 0.636 0.340 0.833 0.417 CB 1.551 25 residues pruned to eliminate duplicates Z: 20 11.511 2.081 0.480 0.321 0.684 0.368 CB 1.526 20 residues pruned to eliminate duplicates Z: 8 5.238 2.057 0.700 0.280 0.429 0.429 CA 1.694 8 residues pruned to eliminate duplicates Z: 21 7.723 2.019 0.432 0.214 0.600 0.300 CB 1.394 21 residues pruned to eliminate duplicates Z: 9 12.013 2.105 0.705 0.407 0.750 0.500 N 1.740 9 residues pruned to eliminate duplicates Z: 12 9.200 1.964 0.451 0.325 0.727 0.364 C 1.623 12 residues pruned to eliminate duplicates Z: 28 20.878 1.944 0.392 0.662 0.926 0.778 CB 1.380 25 residues pruned to eliminate duplicates Z: 61 23.686 1.996 0.500 0.445 0.800 0.533 CB 1.350 61 residues pruned to eliminate duplicates Z: 30 19.315 1.840 0.428 0.554 0.897 0.621 CA 1.444 30 residues pruned to eliminate duplicates Z: 44 28.498 2.068 0.514 0.471 0.907 0.558 CB 1.577 44 residues pruned to eliminate duplicates Z: 29 23.946 2.028 0.365 0.587 0.964 0.679 CB 1.560 29 residues pruned to eliminate duplicates Z: 37 22.018 1.911 0.468 0.512 0.861 0.583 CB 1.501 37 residues pruned to eliminate duplicates Z: 25 21.531 1.982 0.449 0.577 0.917 0.708 CA 1.551 25 residues pruned to eliminate duplicates Z: 28 25.304 2.053 0.337 0.619 0.926 0.704 CB 1.712 28 residues pruned to eliminate duplicates Z: 34 21.215 1.922 0.301 0.613 0.939 0.636 CB 1.413 34 residues pruned to eliminate duplicates Z: 32 22.942 1.884 0.375 0.582 0.968 0.613 CB 1.518 32 residues pruned to eliminate duplicates Z: 46 23.145 1.991 0.424 0.453 0.844 0.511 CB 1.513 46 residues pruned to eliminate duplicates Z: 29 24.862 2.080 0.413 0.543 0.893 0.643 CA 1.717 31 residues pruned to eliminate duplicates Z: 12 16.609 2.114 0.343 0.854 1.000 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 26 21.468 1.939 0.326 0.639 0.960 0.640 CB 1.528 26 residues pruned to eliminate duplicates Z: 18 15.269 2.122 0.128 0.664 0.882 0.588 CB 1.506 18 residues pruned to eliminate duplicates Z: 18 20.482 2.057 0.431 0.852 1.000 0.882 CB 1.249 22 residues pruned to eliminate duplicates Z: 17 20.353 2.010 0.657 0.856 0.938 0.625 CB 1.201 17 residues pruned to eliminate duplicates Z: 22 17.962 1.929 0.589 0.633 0.905 0.381 CB 1.248 22 residues pruned to eliminate duplicates Z: 27 16.849 1.928 0.635 0.592 0.846 0.385 CB 1.135 27 residues pruned to eliminate duplicates Z: 33 23.284 1.875 0.729 0.586 0.875 0.562 CB 1.336 33 residues pruned to eliminate duplicates Z: 27 13.044 1.811 0.550 0.432 0.692 0.500 CB 1.411 27 residues pruned to eliminate duplicates Z: 30 20.406 1.854 0.538 0.533 0.897 0.586 CB 1.434 30 residues pruned to eliminate duplicates Z: 8 4.579 1.767 -0.005 0.644 0.714 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 28 20.024 1.916 0.603 0.607 0.889 0.593 CB 1.275 28 residues pruned to eliminate duplicates Z: 36 22.898 1.905 0.445 0.589 0.914 0.543 CB 1.412 36 residues pruned to eliminate duplicates Z: 32 18.625 1.903 0.410 0.564 0.903 0.419 CB 1.297 32 residues pruned to eliminate duplicates Z: 27 20.651 2.195 0.561 0.356 0.885 0.500 CA 1.560 27 residues pruned to eliminate duplicates Z: 34 24.934 2.093 0.619 0.465 0.939 0.606 CB 1.414 34 residues pruned to eliminate duplicates Z: 64 38.079 2.065 0.707 0.475 0.905 0.540 CB 1.543 64 residues pruned to eliminate duplicates Z: 37 25.359 2.071 0.601 0.450 0.944 0.472 CB 1.420 37 residues pruned to eliminate duplicates Z: 30 21.942 2.081 0.628 0.378 0.931 0.414 CA 1.472 30 residues pruned to eliminate duplicates Z: 27 23.795 2.188 0.560 0.475 0.923 0.692 CB 1.518 27 residues pruned to eliminate duplicates Z: 31 17.803 2.077 0.532 0.282 0.900 0.467 CA 1.451 31 residues pruned to eliminate duplicates Z: 21 12.611 2.007 0.596 0.253 0.850 0.400 CB 1.375 21 residues pruned to eliminate duplicates Z: 21 18.188 2.191 0.662 0.288 0.900 0.350 CA 1.574 21 residues pruned to eliminate duplicates Z: 33 25.514 2.108 0.605 0.425 0.969 0.500 CB 1.487 33 residues pruned to eliminate duplicates Z: 26 25.005 2.195 0.734 0.464 0.920 0.560 CB 1.481 26 residues pruned to eliminate duplicates Z: 28 20.536 2.163 0.567 0.375 0.852 0.593 CB 1.565 28 residues pruned to eliminate duplicates Z: 24 20.229 2.173 0.730 0.340 0.870 0.565 CB 1.535 24 residues pruned to eliminate duplicates Z: 50 26.971 2.087 0.483 0.435 0.898 0.510 CB 1.483 50 residues pruned to eliminate duplicates Z: 33 23.947 2.078 0.609 0.467 0.906 0.562 CB 1.444 33 residues pruned to eliminate duplicates Z: 32 21.967 2.130 0.616 0.402 0.839 0.484 CB 1.516 32 residues pruned to eliminate duplicates Z: 32 28.493 2.179 0.640 0.464 0.935 0.548 CB 1.588 32 residues pruned to eliminate duplicates Z: 68 32.087 2.032 0.607 0.431 0.881 0.463 CB 1.463 68 residues pruned to eliminate duplicates Z: 62 37.886 2.096 0.659 0.499 0.902 0.492 CB 1.549 62 residues pruned to eliminate duplicates Z: 22 16.440 2.203 0.559 0.310 0.810 0.524 CA 1.593 22 residues pruned to eliminate duplicates Z: 57 25.527 1.974 0.474 0.449 0.857 0.464 CB 1.442 57 residues pruned to eliminate duplicates Z: 63 33.051 2.072 0.539 0.464 0.871 0.532 CB 1.568 63 residues pruned to eliminate duplicates Z: 32 23.983 2.158 0.556 0.380 0.903 0.516 CB 1.614 32 residues pruned to eliminate duplicates Z: 58 39.355 2.077 0.661 0.512 0.982 0.509 CB 1.519 58 residues pruned to eliminate duplicates Z: 30 22.337 2.139 0.660 0.363 0.897 0.345 CB 1.509 30 residues pruned to eliminate duplicates Z: 20 22.875 2.134 0.758 0.497 0.947 0.474 CB 1.481 20 residues pruned to eliminate duplicates Z: 58 36.423 2.067 0.661 0.514 0.930 0.561 CB 1.491 58 residues pruned to eliminate duplicates Z: 62 36.635 2.109 0.592 0.478 0.885 0.475 CB 1.614 62 residues pruned to eliminate duplicates Z: 34 24.707 2.123 0.666 0.391 0.879 0.364 CB 1.553 34 residues pruned to eliminate duplicates Z: 11 6.918 1.753 0.407 0.403 0.900 0.400 CB 1.091 12 residues pruned to eliminate duplicates 6 1.576 1.438 0.455 0.326 0.600 0.600 CB 0.679 ? Z: 7 4.694 1.397 0.620 0.550 1.000 1.000 CA 0.806 7 residues pruned to eliminate duplicates Z: 11 7.755 1.746 0.395 0.440 0.900 0.700 CB 1.191 11 residues pruned to eliminate duplicates 666 residues left after pruning, divided into chains as follows: A: 7 B: 16 C: 7 D: 8 E: 10 F: 12 G: 26 H: 44 I: 103 J: 109 K: 14 L: 63 M: 27 N: 139 O: 11 P: 70 CC for partial structure against native data = 24.13 % ------------------------------------------------------------------------------ Global autotracing cycle 24 = 0.300, Contrast = 0.390, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6673 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1267 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 13.188 1.877 0.543 0.490 1.000 0.643 CB 1.230 B: 22 38.280 2.229 0.705 0.889 1.000 0.524 CB 1.582 C: 22 34.641 2.222 0.651 0.909 1.000 0.714 CB 1.463 22 residues pruned to eliminate duplicates D: 13 12.929 2.009 0.378 0.502 0.917 0.667 CA 1.467 E: 27 15.799 1.968 0.430 0.414 0.885 0.577 CB 1.361 F: 13 9.202 2.000 0.276 0.516 0.833 0.333 CA 1.230 G: 22 40.897 2.256 0.827 0.900 1.000 0.857 CB 1.546 22 residues pruned to eliminate duplicates H: 22 35.793 2.182 0.728 0.889 1.000 0.952 CB 1.492 22 residues pruned to eliminate duplicates I: 22 36.556 2.239 0.691 0.861 1.000 0.762 CB 1.548 22 residues pruned to eliminate duplicates J: 16 22.547 2.116 0.358 0.905 0.933 0.733 CA 1.545 K: 16 20.183 1.845 0.633 0.869 1.000 0.667 CB 1.263 L: 10 8.336 1.562 0.701 0.810 0.889 0.556 CA 0.898 M: 17 25.133 2.103 0.520 0.884 0.938 0.500 CA 1.515 16 residues pruned to eliminate duplicates N: 14 19.126 2.123 0.607 0.886 1.000 0.692 CB 1.121 O: 22 30.046 2.098 0.507 0.905 0.952 0.762 CB 1.549 22 residues pruned to eliminate duplicates P: 7 8.980 1.753 0.282 0.858 1.000 0.667 CB 1.202 8 residues pruned to eliminate duplicates Q: 10 8.251 1.901 0.259 0.570 0.889 0.444 CB 1.208 R: 17 20.995 2.051 0.471 0.890 1.000 0.812 CB 1.251 14 residues pruned to eliminate duplicates S: 22 39.680 2.254 0.885 0.895 1.000 0.524 CB 1.461 22 residues pruned to eliminate duplicates T: 19 18.248 1.989 0.267 0.851 0.889 0.667 CA 1.421 15 residues pruned to eliminate duplicates U: 11 19.831 2.165 0.556 0.860 0.900 0.700 CB 1.522 V: 22 34.393 2.217 0.602 0.896 1.000 0.905 CB 1.513 22 residues pruned to eliminate duplicates W: 9 5.549 1.874 0.493 0.290 0.625 0.250 CB 1.419 X: 12 20.340 2.086 0.454 0.842 1.000 0.455 CB 1.507 11 residues pruned to eliminate duplicates Y: 6 8.226 1.772 0.524 0.692 0.800 0.600 N 1.429 6 residues pruned to eliminate duplicates Z: 16 21.116 1.982 0.493 0.891 1.000 0.867 CA 1.325 16 residues pruned to eliminate duplicates Z: 15 16.341 2.155 0.218 0.867 1.000 0.786 CB 1.218 14 residues pruned to eliminate duplicates Z: 21 46.352 2.321 0.937 0.897 1.000 0.600 CB 1.650 22 residues pruned to eliminate duplicates Z: 46 31.208 2.088 0.594 0.496 0.911 0.511 CA 1.540 12 residues pruned to eliminate duplicates Z: 10 13.076 1.775 0.574 0.801 0.889 0.556 CA 1.349 Z: 9 10.896 1.816 0.334 0.824 0.875 0.625 CA 1.372 9 residues pruned to eliminate duplicates Z: 22 34.444 2.099 0.736 0.935 1.000 0.619 CB 1.437 22 residues pruned to eliminate duplicates Z: 10 11.622 1.812 0.545 0.814 0.889 0.667 CA 1.185 9 residues pruned to eliminate duplicates Z: 18 10.132 1.963 0.372 0.309 0.765 0.471 CA 1.474 18 residues pruned to eliminate duplicates Z: 9 10.211 1.787 0.273 0.774 0.875 0.500 CA 1.424 9 residues pruned to eliminate duplicates Z: 23 17.304 2.090 0.732 0.390 0.864 0.636 CB 1.326 Z: 63 39.772 2.085 0.628 0.591 0.919 0.484 CA 1.484 56 residues pruned to eliminate duplicates Z: 22 10.626 1.887 0.325 0.359 0.810 0.619 CB 1.333 Z: 63 39.300 2.022 0.671 0.643 0.935 0.661 CB 1.381 16 residues pruned to eliminate duplicates Z: 13 7.994 1.930 0.462 0.461 0.750 0.583 CB 1.135 13 residues pruned to eliminate duplicates Z: 15 15.608 2.117 0.195 0.808 1.000 0.786 CB 1.261 15 residues pruned to eliminate duplicates Z: 24 19.078 2.063 0.763 0.354 0.870 0.435 CA 1.473 Z: 30 21.598 2.009 0.708 0.566 0.897 0.483 CB 1.223 29 residues pruned to eliminate duplicates Z: 17 20.283 2.008 0.582 0.881 0.938 0.750 CB 1.233 18 residues pruned to eliminate duplicates Z: 10 13.081 1.771 0.395 0.832 1.000 0.556 N 1.326 10 residues pruned to eliminate duplicates Z: 77 51.567 2.157 0.816 0.569 0.934 0.566 CB 1.511 58 residues pruned to eliminate duplicates Z: 16 20.476 1.977 0.504 0.941 1.000 0.933 CA 1.233 16 residues pruned to eliminate duplicates Z: 6 8.966 1.897 0.417 0.845 0.800 0.800 CB 1.386 6 residues pruned to eliminate duplicates Z: 38 23.541 1.933 0.595 0.508 0.919 0.622 CB 1.355 38 residues pruned to eliminate duplicates Z: 21 30.543 2.188 0.658 0.923 1.000 0.700 CB 1.323 21 residues pruned to eliminate duplicates Z: 16 9.192 1.979 0.174 0.477 0.733 0.533 CA 1.425 17 residues pruned to eliminate duplicates Z: 12 12.625 2.026 0.406 0.533 0.909 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 17 20.380 2.070 0.298 0.885 0.938 0.812 CA 1.460 17 residues pruned to eliminate duplicates Z: 22 29.870 1.972 0.638 0.926 1.000 0.857 CA 1.415 22 residues pruned to eliminate duplicates Z: 85 45.693 2.145 0.706 0.538 0.905 0.488 CB 1.451 76 residues pruned to eliminate duplicates Z: 45 30.068 2.103 0.518 0.501 0.932 0.523 CA 1.523 46 residues pruned to eliminate duplicates Z: 14 16.206 2.150 0.442 0.872 1.000 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 41 21.164 1.973 0.372 0.489 0.975 0.700 CA 1.282 13 residues pruned to eliminate duplicates Z: 20 23.097 2.015 0.367 0.899 0.947 0.579 CB 1.451 20 residues pruned to eliminate duplicates Z: 25 17.067 2.072 0.317 0.547 0.917 0.583 CB 1.331 26 residues pruned to eliminate duplicates Z: 36 13.218 1.951 0.396 0.353 0.771 0.486 CB 1.246 26 residues pruned to eliminate duplicates Z: 13 15.846 1.927 0.388 0.810 1.000 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 7 3.058 1.890 -0.265 0.475 0.667 0.333 CB 1.382 2 residues pruned to eliminate duplicates Z: 11 9.710 2.045 0.629 0.322 0.800 0.700 CB 1.402 11 residues pruned to eliminate duplicates Z: 40 28.176 2.082 0.638 0.495 0.897 0.436 CB 1.482 41 residues pruned to eliminate duplicates Z: 19 10.064 1.976 0.262 0.401 0.778 0.667 CB 1.358 Z: 19 16.284 1.966 0.223 0.866 0.889 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 16 11.653 2.010 0.308 0.437 0.867 0.600 CA 1.409 16 residues pruned to eliminate duplicates Z: 19 11.578 1.935 0.502 0.405 0.778 0.500 CB 1.333 19 residues pruned to eliminate duplicates Z: 23 8.958 1.741 0.470 0.392 0.727 0.591 CB 1.151 23 residues pruned to eliminate duplicates Z: 9 11.113 1.676 0.368 0.617 1.000 0.500 CB 1.534 Z: 7 3.296 1.671 -0.003 0.438 0.833 0.667 N 1.033 Z: 10 12.346 2.041 0.370 0.823 0.889 0.444 CB 1.251 10 residues pruned to eliminate duplicates Z: 9 13.853 1.851 0.924 0.812 0.750 0.750 CA 1.397 9 residues pruned to eliminate duplicates Z: 17 13.757 2.095 0.414 0.387 0.938 0.625 CB 1.396 20 residues pruned to eliminate duplicates Z: 33 11.963 1.873 0.449 0.289 0.750 0.594 CB 1.316 26 residues pruned to eliminate duplicates Z: 17 10.577 1.791 0.574 0.369 0.812 0.625 CA 1.328 17 residues pruned to eliminate duplicates Z: 19 40.847 2.276 0.919 0.909 1.000 0.611 CB 1.564 19 residues pruned to eliminate duplicates Z: 22 17.354 2.065 0.652 0.469 0.762 0.524 CA 1.504 22 residues pruned to eliminate duplicates Z: 12 11.852 2.007 0.381 0.569 0.818 0.455 CA 1.473 9 residues pruned to eliminate duplicates Z: 24 18.685 2.139 0.709 0.341 0.870 0.435 CB 1.457 24 residues pruned to eliminate duplicates Z: 10 12.598 2.085 0.543 0.457 0.889 0.667 CB 1.534 12 residues pruned to eliminate duplicates Z: 19 33.261 2.069 0.806 0.897 1.000 0.778 CB 1.502 19 residues pruned to eliminate duplicates Z: 7 10.983 2.041 0.327 0.886 1.000 1.000 CA 1.195 7 residues pruned to eliminate duplicates Z: 29 16.554 2.012 0.432 0.480 0.893 0.536 CA 1.241 30 residues pruned to eliminate duplicates Z: 32 23.644 2.076 0.789 0.403 0.871 0.516 CB 1.454 32 residues pruned to eliminate duplicates Z: 12 11.245 2.026 0.390 0.499 0.818 0.636 CB 1.473 12 residues pruned to eliminate duplicates Z: 9 5.939 1.553 0.068 0.710 1.000 0.625 CB 1.046 Z: 22 31.028 1.983 0.602 0.910 1.000 0.857 CB 1.512 22 residues pruned to eliminate duplicates Z: 11 9.060 1.968 0.397 0.498 0.700 0.400 CA 1.492 11 residues pruned to eliminate duplicates Z: 17 32.908 2.201 0.730 0.905 0.938 0.625 CB 1.639 17 residues pruned to eliminate duplicates Z: 19 7.266 1.980 0.018 0.337 0.833 0.500 CB 1.219 Z: 19 17.857 1.932 0.436 0.853 0.944 0.556 CB 1.187 19 residues pruned to eliminate duplicates Z: 18 8.834 1.773 0.472 0.373 0.824 0.412 CB 1.143 Z: 8 8.823 1.913 0.008 0.849 1.000 0.571 CB 1.282 8 residues pruned to eliminate duplicates Z: 54 32.440 2.016 0.514 0.586 0.962 0.585 CB 1.397 29 residues pruned to eliminate duplicates Z: 21 19.290 1.968 0.698 0.509 0.950 0.450 CA 1.345 21 residues pruned to eliminate duplicates Z: 13 19.512 2.029 0.532 0.825 1.000 0.667 CB 1.368 13 residues pruned to eliminate duplicates Z: 24 25.338 2.108 0.423 0.766 0.957 0.870 CA 1.455 24 residues pruned to eliminate duplicates Z: 60 25.897 1.973 0.370 0.479 0.932 0.559 CB 1.366 43 residues pruned to eliminate duplicates Z: 47 28.927 1.914 0.686 0.590 0.913 0.478 CB 1.328 47 residues pruned to eliminate duplicates Z: 22 12.304 1.893 0.581 0.416 0.905 0.476 CB 1.082 14 residues pruned to eliminate duplicates Z: 11 16.632 2.035 0.786 0.790 0.900 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 5.816 1.795 0.584 0.522 0.857 0.714 CB 0.883 Z: 18 15.919 2.003 0.177 0.906 0.941 0.824 CB 1.237 18 residues pruned to eliminate duplicates Z: 6 3.949 1.753 0.435 0.452 0.800 0.800 CB 0.922 6 residues pruned to eliminate duplicates Z: 27 10.822 1.925 0.014 0.396 0.962 0.615 CB 1.261 15 residues pruned to eliminate duplicates Z: 7 10.257 1.745 0.760 0.754 0.833 0.333 CB 1.304 7 residues pruned to eliminate duplicates Z: 23 20.927 2.000 0.466 0.594 0.955 0.591 CB 1.457 23 residues pruned to eliminate duplicates Z: 11 5.991 1.628 0.500 0.386 0.700 0.600 C 1.252 11 residues pruned to eliminate duplicates Z: 22 27.308 1.960 0.586 0.880 0.952 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 11 3.127 1.779 -0.152 0.359 0.700 0.300 CB 1.090 11 residues pruned to eliminate duplicates Z: 23 22.074 2.089 0.800 0.425 0.864 0.455 CA 1.567 23 residues pruned to eliminate duplicates Z: 9 9.959 1.975 0.447 0.440 0.875 0.750 CA 1.499 9 residues pruned to eliminate duplicates Z: 59 24.903 1.946 0.352 0.495 0.948 0.569 CB 1.317 59 residues pruned to eliminate duplicates Z: 23 17.907 2.120 0.703 0.363 0.864 0.545 CB 1.418 23 residues pruned to eliminate duplicates Z: 13 11.646 1.810 0.418 0.451 1.000 0.750 N 1.378 7 residues pruned to eliminate duplicates Z: 13 7.823 1.995 0.185 0.465 0.750 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 16 6.736 1.899 0.117 0.325 0.800 0.600 CB 1.243 16 residues pruned to eliminate duplicates Z: 22 40.975 2.228 1.012 0.917 0.952 0.619 CB 1.478 22 residues pruned to eliminate duplicates Z: 9 9.899 2.191 0.409 0.530 0.750 0.750 CA 1.468 9 residues pruned to eliminate duplicates Z: 15 20.652 2.158 0.572 0.840 1.000 0.500 CB 1.214 15 residues pruned to eliminate duplicates Z: 16 9.897 1.958 0.227 0.405 0.933 0.467 CB 1.259 16 residues pruned to eliminate duplicates Z: 8 8.866 1.932 0.650 0.366 0.857 0.571 N 1.415 Z: 26 25.019 2.066 0.548 0.657 0.960 0.560 CA 1.408 26 residues pruned to eliminate duplicates Z: 7 9.861 1.819 0.470 0.699 1.000 0.833 CB 1.256 Z: 37 16.989 1.890 0.426 0.378 0.861 0.417 CA 1.390 37 residues pruned to eliminate duplicates Z: 10 11.547 1.866 0.158 0.875 1.000 0.778 CA 1.296 10 residues pruned to eliminate duplicates Z: 21 32.801 2.081 0.626 0.906 1.000 0.600 CB 1.541 28 residues pruned to eliminate duplicates Z: 10 5.323 1.583 0.168 0.530 0.889 0.556 CB 1.048 10 residues pruned to eliminate duplicates Z: 11 17.902 2.154 0.360 0.874 1.000 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 16 16.028 2.088 0.272 0.839 1.000 0.800 CB 1.163 16 residues pruned to eliminate duplicates Z: 6 4.032 1.703 0.211 0.379 0.800 0.800 N 1.244 6 residues pruned to eliminate duplicates Z: 21 32.962 2.023 0.684 0.925 1.000 0.700 CB 1.519 21 residues pruned to eliminate duplicates Z: 17 22.182 2.037 0.458 0.898 1.000 0.938 CA 1.336 17 residues pruned to eliminate duplicates Z: 56 45.820 2.211 0.655 0.611 0.982 0.564 CA 1.548 56 residues pruned to eliminate duplicates Z: 12 11.858 1.840 0.323 0.584 1.000 0.545 CB 1.355 20 residues pruned to eliminate duplicates Z: 7 4.174 1.652 0.501 0.475 1.000 0.833 CB 0.705 7 residues pruned to eliminate duplicates Z: 57 33.450 2.019 0.635 0.517 0.911 0.554 CB 1.461 55 residues pruned to eliminate duplicates Z: 41 21.100 1.939 0.411 0.418 0.900 0.500 CA 1.476 41 residues pruned to eliminate duplicates Z: 6 3.640 1.684 0.276 0.688 0.600 0.400 CA 1.062 6 residues pruned to eliminate duplicates Z: 11 10.267 2.018 0.377 0.464 0.900 0.600 CB 1.347 11 residues pruned to eliminate duplicates Z: 13 7.063 1.698 0.356 0.413 0.833 0.417 CB 1.163 8 residues pruned to eliminate duplicates Z: 15 12.350 2.101 0.069 0.484 0.929 0.643 CA 1.608 15 residues pruned to eliminate duplicates Z: 27 13.944 2.031 0.544 0.302 0.808 0.500 CB 1.346 27 residues pruned to eliminate duplicates Z: 21 33.393 2.166 0.816 0.859 1.000 0.750 CB 1.397 21 residues pruned to eliminate duplicates Z: 13 10.681 2.069 0.190 0.391 1.000 0.417 CA 1.404 13 residues pruned to eliminate duplicates Z: 11 8.783 1.905 0.331 0.491 0.900 0.600 CB 1.227 Z: 10 11.358 1.932 0.425 0.471 1.000 0.444 CA 1.415 8 residues pruned to eliminate duplicates Z: 9 13.875 1.889 0.505 0.887 1.000 0.625 CA 1.245 11 residues pruned to eliminate duplicates Z: 17 10.165 1.848 0.186 0.404 0.875 0.500 CA 1.467 Z: 7 3.517 1.742 -0.094 0.511 0.833 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 76 49.720 2.170 0.747 0.570 0.920 0.547 CB 1.539 76 residues pruned to eliminate duplicates Z: 11 7.497 1.842 0.585 0.464 1.000 0.300 CB 0.842 Z: 12 14.853 1.952 0.416 0.830 0.909 0.909 CB 1.340 12 residues pruned to eliminate duplicates Z: 9 8.690 1.756 0.756 0.596 0.875 0.750 CB 1.039 9 residues pruned to eliminate duplicates Z: 13 3.508 1.563 0.459 0.208 0.667 0.417 CA 0.941 Z: 7 4.112 1.583 0.409 0.364 0.667 0.333 CB 1.307 Z: 10 3.750 1.658 0.040 0.340 0.889 0.667 CB 0.971 Z: 15 5.889 1.449 0.530 0.331 0.786 0.214 CA 1.088 Z: 52 26.527 1.996 0.393 0.470 0.961 0.588 CA 1.434 52 residues pruned to eliminate duplicates Z: 15 13.759 1.841 0.743 0.477 0.857 0.500 CA 1.369 Z: 20 33.296 2.154 0.531 0.918 1.000 0.895 CA 1.634 20 residues pruned to eliminate duplicates Z: 13 17.013 2.096 0.524 0.570 0.917 0.500 CA 1.568 13 residues pruned to eliminate duplicates Z: 13 15.593 2.066 0.725 0.462 0.917 0.750 CB 1.433 13 residues pruned to eliminate duplicates Z: 15 6.912 1.868 -0.030 0.399 0.857 0.429 CA 1.322 15 residues pruned to eliminate duplicates Z: 7 9.455 1.783 0.437 0.694 1.000 0.833 CB 1.261 6 residues pruned to eliminate duplicates Z: 30 15.511 1.783 0.522 0.476 0.862 0.552 CB 1.261 30 residues pruned to eliminate duplicates Z: 30 19.482 2.042 0.687 0.342 0.931 0.448 CB 1.340 30 residues pruned to eliminate duplicates Z: 26 14.859 2.018 0.547 0.283 0.800 0.360 CA 1.520 26 residues pruned to eliminate duplicates Z: 10 11.866 1.883 0.423 0.621 1.000 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 24 13.438 1.878 0.475 0.391 0.826 0.435 CA 1.375 22 residues pruned to eliminate duplicates Z: 25 16.757 1.931 0.475 0.447 0.958 0.542 CB 1.324 10 residues pruned to eliminate duplicates Z: 13 9.989 1.939 0.629 0.333 0.833 0.500 CA 1.316 13 residues pruned to eliminate duplicates Z: 22 30.210 1.952 0.814 0.909 0.905 0.619 CB 1.460 22 residues pruned to eliminate duplicates Z: 16 20.511 2.104 0.383 0.869 1.000 0.600 CB 1.329 16 residues pruned to eliminate duplicates Z: 30 19.365 2.029 0.582 0.336 0.897 0.379 CB 1.494 29 residues pruned to eliminate duplicates Z: 16 9.806 2.099 0.338 0.317 0.800 0.533 CB 1.380 16 residues pruned to eliminate duplicates Z: 19 10.937 1.914 0.454 0.338 0.833 0.556 CB 1.327 19 residues pruned to eliminate duplicates Z: 30 25.238 2.039 0.691 0.587 0.931 0.690 CA 1.343 30 residues pruned to eliminate duplicates Z: 8 11.238 1.445 0.989 0.823 0.857 0.714 O 1.303 8 residues pruned to eliminate duplicates Z: 12 4.218 1.701 0.480 0.366 0.636 0.364 CA 0.917 12 residues pruned to eliminate duplicates Z: 29 17.929 1.868 0.529 0.487 0.893 0.536 CB 1.346 18 residues pruned to eliminate duplicates Z: 8 11.797 1.988 0.535 0.787 0.857 0.571 CB 1.324 8 residues pruned to eliminate duplicates Z: 13 7.615 1.957 0.362 0.342 0.833 0.500 CB 1.176 13 residues pruned to eliminate duplicates Z: 10 16.046 2.125 0.548 0.845 1.000 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 22 40.879 2.230 0.965 0.920 0.952 0.524 CB 1.506 22 residues pruned to eliminate duplicates Z: 53 24.229 1.983 0.345 0.472 0.942 0.596 CB 1.375 53 residues pruned to eliminate duplicates Z: 6 4.623 1.626 0.107 0.795 1.000 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 6 4.880 1.533 0.577 0.288 1.000 0.400 CA 1.146 Z: 8 5.278 1.648 0.475 0.465 0.857 0.571 CB 0.992 Z: 18 13.770 1.870 0.476 0.499 0.882 0.529 CB 1.373 17 residues pruned to eliminate duplicates Z: 13 11.071 2.013 0.763 0.311 0.833 0.333 CB 1.333 13 residues pruned to eliminate duplicates Z: 28 11.751 1.919 0.166 0.366 0.926 0.519 CB 1.260 27 residues pruned to eliminate duplicates Z: 7 4.561 1.981 0.073 0.276 0.833 0.500 CB 1.355 Z: 30 8.498 1.874 0.131 0.314 0.793 0.586 CB 1.153 24 residues pruned to eliminate duplicates Z: 11 10.567 1.886 0.415 0.827 0.900 0.800 CA 1.049 11 residues pruned to eliminate duplicates Z: 7 9.602 1.902 0.472 0.576 1.000 0.667 CB 1.301 Z: 11 15.769 2.045 0.214 0.904 1.000 1.000 CA 1.430 11 residues pruned to eliminate duplicates Z: 56 34.007 1.972 0.650 0.642 0.982 0.636 CB 1.256 57 residues pruned to eliminate duplicates Z: 14 8.185 1.838 0.209 0.361 0.846 0.538 CA 1.402 Z: 21 34.945 2.052 0.826 0.925 0.950 0.650 CB 1.540 21 residues pruned to eliminate duplicates Z: 27 16.206 1.949 0.409 0.498 0.923 0.654 CB 1.256 26 residues pruned to eliminate duplicates Z: 24 17.383 2.035 0.527 0.427 0.913 0.391 CB 1.377 24 residues pruned to eliminate duplicates Z: 7 15.341 2.133 0.745 0.686 1.000 0.667 CB 1.419 7 residues pruned to eliminate duplicates Z: 6 4.262 1.624 0.313 0.551 0.800 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 21 28.865 2.022 0.811 0.929 0.850 0.550 CB 1.451 21 residues pruned to eliminate duplicates Z: 10 8.916 1.733 0.491 0.563 0.889 0.889 CB 1.218 10 residues pruned to eliminate duplicates Z: 26 12.636 2.003 0.517 0.275 0.760 0.440 CB 1.412 26 residues pruned to eliminate duplicates Z: 33 20.829 1.938 0.373 0.472 0.938 0.531 CA 1.518 32 residues pruned to eliminate duplicates Z: 40 41.899 2.225 0.675 0.709 0.949 0.692 CA 1.570 40 residues pruned to eliminate duplicates Z: 25 15.745 1.687 0.497 0.634 0.958 0.500 CB 1.170 25 residues pruned to eliminate duplicates Z: 19 13.836 1.891 0.439 0.568 0.889 0.611 CB 1.262 19 residues pruned to eliminate duplicates Z: 28 14.429 1.994 0.322 0.461 0.852 0.519 CB 1.287 28 residues pruned to eliminate duplicates Z: 8 5.102 1.705 0.380 0.272 0.857 0.429 CA 1.239 Z: 7 7.275 1.913 0.290 0.594 0.833 0.667 CB 1.320 7 residues pruned to eliminate duplicates Z: 27 16.581 1.981 0.471 0.500 0.885 0.500 CA 1.261 27 residues pruned to eliminate duplicates Z: 20 23.667 2.099 0.365 0.863 1.000 0.632 CB 1.391 20 residues pruned to eliminate duplicates Z: 7 7.843 1.877 0.219 0.852 0.833 0.833 CA 1.242 7 residues pruned to eliminate duplicates Z: 26 18.650 1.977 0.554 0.501 0.920 0.640 CB 1.318 26 residues pruned to eliminate duplicates Z: 11 10.112 1.615 0.431 0.585 0.900 0.600 C 1.417 10 residues pruned to eliminate duplicates Z: 7 4.826 1.585 0.232 0.445 0.833 0.333 N 1.282 Z: 8 3.879 1.575 0.080 0.466 0.857 0.429 CB 1.040 4 residues pruned to eliminate duplicates Z: 6 5.057 1.864 0.523 0.686 0.600 0.600 CB 1.119 Z: 21 30.245 1.976 0.769 0.885 0.950 0.350 CB 1.471 21 residues pruned to eliminate duplicates Z: 10 4.893 1.533 0.481 0.345 0.667 0.444 CB 1.275 Z: 6 7.868 1.783 0.249 0.698 1.000 0.800 N 1.319 6 residues pruned to eliminate duplicates Z: 7 7.207 1.733 0.316 0.619 1.000 0.500 CB 1.153 Z: 8 5.135 1.400 0.415 0.599 1.000 0.857 N 0.892 8 residues pruned to eliminate duplicates Z: 20 23.530 2.080 0.641 0.572 1.000 0.579 CB 1.475 20 residues pruned to eliminate duplicates Z: 27 17.946 2.095 0.374 0.362 0.923 0.423 CB 1.537 27 residues pruned to eliminate duplicates Z: 17 21.577 2.034 0.566 0.872 1.000 0.688 CB 1.235 17 residues pruned to eliminate duplicates Z: 11 4.348 1.839 0.432 0.244 0.700 0.400 CB 1.002 11 residues pruned to eliminate duplicates Z: 13 8.414 1.751 0.459 0.405 0.917 0.500 CB 1.146 14 residues pruned to eliminate duplicates Z: 18 15.640 1.976 0.228 0.826 0.882 0.647 CB 1.336 18 residues pruned to eliminate duplicates Z: 17 10.901 1.852 0.372 0.441 0.812 0.688 CA 1.403 17 residues pruned to eliminate duplicates Z: 18 16.485 1.963 0.519 0.474 0.941 0.529 CA 1.463 18 residues pruned to eliminate duplicates Z: 6 5.065 1.759 0.101 0.650 0.800 0.800 N 1.272 Z: 17 13.526 2.033 0.322 0.380 1.000 0.562 CB 1.430 18 residues pruned to eliminate duplicates Z: 52 35.212 2.006 0.624 0.707 0.961 0.608 CB 1.305 52 residues pruned to eliminate duplicates Z: 21 29.249 1.988 0.726 0.828 0.950 0.500 CB 1.511 21 residues pruned to eliminate duplicates Z: 12 7.030 1.628 0.456 0.301 0.818 0.636 CA 1.366 7 residues pruned to eliminate duplicates Z: 22 26.851 1.944 0.629 0.923 1.000 0.571 CB 1.300 22 residues pruned to eliminate duplicates Z: 78 35.905 2.043 0.416 0.538 0.948 0.532 CA 1.437 78 residues pruned to eliminate duplicates Z: 9 8.038 1.727 0.248 0.581 1.000 0.500 CB 1.220 9 residues pruned to eliminate duplicates Z: 30 41.275 2.256 0.809 0.756 0.966 0.828 CA 1.548 30 residues pruned to eliminate duplicates Z: 6 6.794 1.760 0.459 0.447 1.000 0.800 CB 1.249 Z: 11 4.878 1.850 0.167 0.300 0.700 0.200 N 1.275 11 residues pruned to eliminate duplicates Z: 6 6.763 1.786 -0.003 0.763 1.000 0.800 CB 1.345 6 residues pruned to eliminate duplicates Z: 11 11.361 1.876 0.501 0.506 0.900 0.200 CB 1.410 11 residues pruned to eliminate duplicates Z: 12 5.194 1.532 0.222 0.518 0.909 0.545 CB 0.904 11 residues pruned to eliminate duplicates Z: 17 13.541 2.097 0.506 0.460 0.875 0.562 CA 1.276 17 residues pruned to eliminate duplicates Z: 24 13.810 2.009 0.751 0.346 0.826 0.478 CB 1.171 24 residues pruned to eliminate duplicates Z: 10 3.101 1.519 0.191 0.234 0.778 0.667 CB 1.001 Z: 6 3.095 1.486 0.484 0.320 0.800 0.400 CA 0.957 Z: 41 23.860 2.004 0.503 0.448 0.875 0.525 CA 1.510 41 residues pruned to eliminate duplicates Z: 34 35.914 2.213 0.655 0.612 0.939 0.606 CA 1.634 34 residues pruned to eliminate duplicates Z: 8 9.732 1.532 0.750 0.796 1.000 0.857 CB 1.059 Z: 6 5.098 1.584 0.833 0.468 0.800 0.400 CB 1.014 Z: 14 5.051 1.821 0.064 0.444 0.615 0.538 CA 1.244 14 residues pruned to eliminate duplicates Z: 6 8.411 1.553 0.724 0.703 1.000 0.600 N 1.168 6 residues pruned to eliminate duplicates Z: 22 24.038 1.899 0.524 0.890 1.000 0.810 CB 1.303 22 residues pruned to eliminate duplicates Z: 49 29.861 2.059 0.564 0.504 0.938 0.646 CA 1.422 44 residues pruned to eliminate duplicates Z: 7 10.936 1.954 0.551 0.629 0.833 0.833 CA 1.565 7 residues pruned to eliminate duplicates Z: 26 17.776 1.956 0.562 0.362 0.960 0.480 CB 1.406 27 residues pruned to eliminate duplicates Z: 6 4.229 1.711 0.926 0.444 0.600 0.600 CA 1.013 Z: 15 5.936 1.871 0.296 0.365 0.714 0.286 CB 1.059 15 residues pruned to eliminate duplicates Z: 16 8.868 1.799 0.386 0.407 0.800 0.533 CB 1.265 16 residues pruned to eliminate duplicates Z: 10 8.884 1.942 0.762 0.469 0.778 0.667 CB 1.149 9 residues pruned to eliminate duplicates Z: 25 14.808 1.963 0.383 0.426 0.875 0.750 CB 1.375 25 residues pruned to eliminate duplicates Z: 29 14.733 1.983 0.374 0.428 0.786 0.643 CA 1.401 29 residues pruned to eliminate duplicates Z: 6 3.665 1.288 0.872 0.385 0.800 0.600 C 0.960 Z: 43 22.244 1.969 0.346 0.491 0.976 0.643 CA 1.338 43 residues pruned to eliminate duplicates Z: 6 4.052 1.659 0.841 0.517 0.600 0.600 CA 0.972 Z: 44 20.837 1.957 0.464 0.407 0.884 0.605 CB 1.383 44 residues pruned to eliminate duplicates Z: 14 9.533 1.946 0.413 0.372 0.846 0.615 CB 1.304 14 residues pruned to eliminate duplicates Z: 15 9.864 1.958 0.253 0.411 0.929 0.571 CA 1.270 15 residues pruned to eliminate duplicates Z: 15 11.254 1.880 0.601 0.315 0.857 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 7 3.778 1.657 0.487 0.546 0.667 0.667 CB 0.898 7 residues pruned to eliminate duplicates Z: 57 35.461 1.984 0.561 0.635 0.929 0.750 CA 1.451 57 residues pruned to eliminate duplicates Z: 43 24.200 1.971 0.436 0.489 0.929 0.738 CA 1.438 43 residues pruned to eliminate duplicates Z: 7 9.324 1.756 0.629 0.548 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 13 6.848 1.903 0.186 0.326 0.833 0.333 CB 1.273 13 residues pruned to eliminate duplicates Z: 16 8.853 1.816 0.224 0.418 0.867 0.533 CA 1.293 15 residues pruned to eliminate duplicates Z: 10 12.758 1.852 0.395 0.872 1.000 0.889 CA 1.199 10 residues pruned to eliminate duplicates Z: 6 6.373 2.016 0.288 0.425 0.800 0.600 CA 1.484 Z: 10 3.435 1.546 0.277 0.223 0.778 0.444 CA 1.031 Z: 53 20.766 1.958 0.292 0.431 0.885 0.481 CA 1.383 53 residues pruned to eliminate duplicates Z: 22 41.285 2.222 0.898 0.932 1.000 0.762 CB 1.492 22 residues pruned to eliminate duplicates Z: 75 36.576 2.002 0.526 0.558 0.905 0.527 CA 1.454 75 residues pruned to eliminate duplicates Z: 15 27.902 2.184 0.922 0.878 0.929 0.643 CB 1.388 15 residues pruned to eliminate duplicates Z: 20 11.727 2.043 0.275 0.349 0.895 0.632 CB 1.361 20 residues pruned to eliminate duplicates Z: 11 6.845 1.945 0.108 0.392 0.800 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 18 6.042 1.773 -0.073 0.275 0.941 0.412 CB 1.224 18 residues pruned to eliminate duplicates Z: 17 21.763 2.018 0.624 0.876 0.875 0.500 CA 1.378 17 residues pruned to eliminate duplicates Z: 6 2.949 1.734 -0.034 0.480 0.800 0.800 CB 1.005 Z: 20 27.919 2.093 0.517 0.879 1.000 0.895 CA 1.463 20 residues pruned to eliminate duplicates Z: 6 3.026 1.349 0.251 0.646 1.000 0.800 CB 0.700 6 residues pruned to eliminate duplicates Z: 22 35.142 2.174 0.606 0.924 1.000 0.857 CB 1.542 22 residues pruned to eliminate duplicates Z: 29 16.992 1.929 0.641 0.391 0.893 0.357 CB 1.275 29 residues pruned to eliminate duplicates Z: 15 6.930 1.963 0.670 0.333 0.714 0.571 CB 0.950 15 residues pruned to eliminate duplicates Z: 9 18.924 1.977 0.807 0.787 0.875 0.625 N 1.663 9 residues pruned to eliminate duplicates Z: 23 21.914 2.163 0.723 0.429 0.955 0.636 CB 1.415 23 residues pruned to eliminate duplicates Z: 15 8.673 1.848 0.433 0.437 0.857 0.571 CA 1.089 15 residues pruned to eliminate duplicates Z: 10 7.282 1.622 0.589 0.590 1.000 0.556 CB 0.864 Z: 11 2.360 1.548 0.545 0.171 0.800 0.400 CB 0.581 11 residues pruned to eliminate duplicates Z: 6 6.466 1.647 0.022 0.771 1.000 0.600 C 1.351 Z: 6 7.196 1.651 0.294 0.536 1.000 0.800 C 1.454 Z: 42 16.125 1.896 0.335 0.417 0.805 0.634 CA 1.348 42 residues pruned to eliminate duplicates Z: 27 8.496 1.812 0.239 0.353 0.808 0.500 CB 1.077 21 residues pruned to eliminate duplicates Z: 7 3.299 1.513 0.465 0.369 0.833 0.833 CB 0.840 Z: 6 2.411 1.475 0.379 0.294 0.600 0.400 N 1.113 Z: 13 6.910 1.977 0.385 0.361 0.667 0.583 CB 1.270 13 residues pruned to eliminate duplicates Z: 25 9.770 1.699 0.564 0.331 0.833 0.583 CB 1.083 25 residues pruned to eliminate duplicates 7 1.381 1.596 0.282 0.205 0.667 0.333 CB 0.587 ? Z: 19 28.128 2.068 0.483 0.864 1.000 0.611 CA 1.585 19 residues pruned to eliminate duplicates Z: 27 14.176 1.991 0.348 0.440 0.846 0.615 CA 1.302 27 residues pruned to eliminate duplicates Z: 13 13.372 1.866 0.778 0.731 0.833 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 20 10.380 1.814 0.574 0.278 0.737 0.368 C 1.455 20 residues pruned to eliminate duplicates Z: 14 8.385 1.822 0.428 0.476 0.923 0.615 CB 0.992 14 residues pruned to eliminate duplicates Z: 6 3.668 1.540 0.367 0.298 0.800 0.400 CA 1.221 Z: 8 8.429 1.553 0.475 0.807 0.857 0.714 CB 1.241 8 residues pruned to eliminate duplicates Z: 21 13.284 1.895 0.513 0.441 0.800 0.300 CA 1.376 21 residues pruned to eliminate duplicates Z: 8 14.211 2.029 0.591 0.837 1.000 1.000 CB 1.245 8 residues pruned to eliminate duplicates Z: 17 23.700 2.084 0.532 0.871 0.875 0.750 CB 1.547 17 residues pruned to eliminate duplicates Z: 6 4.284 1.493 0.871 0.455 0.800 0.400 CB 0.898 6 1.979 1.409 0.570 0.300 0.600 0.400 CB 0.834 ? Z: 11 12.303 1.707 0.665 0.904 0.800 0.600 CB 1.219 11 residues pruned to eliminate duplicates Z: 6 2.618 1.592 0.372 0.521 0.600 0.400 CB 0.875 Z: 6 4.724 1.646 0.246 0.370 0.800 0.800 N 1.481 Z: 8 7.855 1.786 0.284 0.711 1.000 0.857 CB 1.070 Z: 7 2.198 1.614 0.466 0.155 0.667 0.333 N 0.869 4 residues pruned to eliminate duplicates Z: 13 9.552 1.786 0.412 0.347 0.833 0.750 CA 1.551 13 residues pruned to eliminate duplicates Z: 54 25.690 1.950 0.350 0.479 0.943 0.528 CA 1.452 60 residues pruned to eliminate duplicates Z: 6 3.018 1.540 0.195 0.296 0.800 0.400 N 1.152 Z: 6 6.026 1.899 0.480 0.343 0.800 0.600 CA 1.422 6 residues pruned to eliminate duplicates Z: 9 10.024 1.965 0.242 0.635 0.875 0.500 CB 1.463 12 residues pruned to eliminate duplicates Z: 12 8.498 1.934 0.275 0.449 0.909 0.545 N 1.204 12 residues pruned to eliminate duplicates Z: 22 9.434 1.897 0.281 0.379 0.810 0.571 CB 1.191 22 residues pruned to eliminate duplicates Z: 22 33.139 2.297 0.655 0.699 1.000 0.714 CA 1.586 22 residues pruned to eliminate duplicates Z: 14 23.592 1.939 0.613 0.901 1.000 0.692 CB 1.493 14 residues pruned to eliminate duplicates Z: 31 19.396 1.915 0.380 0.531 0.933 0.700 CA 1.392 31 residues pruned to eliminate duplicates Z: 7 3.649 1.749 0.132 0.452 0.667 0.500 CB 1.185 Z: 7 2.147 1.413 0.489 0.249 0.667 0.667 O 0.834 Z: 22 35.890 2.217 0.683 0.908 0.952 0.571 CB 1.565 22 residues pruned to eliminate duplicates Z: 19 8.138 1.602 0.566 0.379 0.944 0.500 CB 0.921 22 residues pruned to eliminate duplicates Z: 7 2.356 1.565 0.197 0.386 0.667 0.333 CB 0.870 Z: 25 13.783 1.928 0.387 0.501 0.833 0.458 CB 1.262 25 residues pruned to eliminate duplicates Z: 6 3.609 1.454 0.200 0.850 1.000 0.800 CB 0.685 6 residues pruned to eliminate duplicates Z: 7 2.932 1.720 0.376 0.285 0.500 0.333 CA 1.288 6 residues pruned to eliminate duplicates Z: 23 12.882 2.077 0.391 0.436 0.727 0.545 CA 1.397 23 residues pruned to eliminate duplicates Z: 10 10.301 1.773 0.150 0.909 1.000 1.000 CA 1.196 10 residues pruned to eliminate duplicates Z: 43 27.215 1.955 0.662 0.502 0.929 0.595 CA 1.389 43 residues pruned to eliminate duplicates Z: 16 15.907 2.134 0.278 0.905 0.933 0.800 CB 1.148 16 residues pruned to eliminate duplicates Z: 9 5.674 1.435 0.138 0.616 0.875 0.500 CA 1.258 9 residues pruned to eliminate duplicates Z: 7 5.155 1.532 0.593 0.541 0.833 0.667 CB 0.994 Z: 14 15.953 2.051 0.489 0.520 0.923 0.615 CA 1.539 14 residues pruned to eliminate duplicates Z: 8 4.718 1.656 -0.074 0.431 1.000 0.571 CA 1.250 8 residues pruned to eliminate duplicates Z: 42 31.202 2.054 0.335 0.714 0.976 0.707 CA 1.501 42 residues pruned to eliminate duplicates Z: 15 14.866 2.029 0.700 0.886 0.857 0.357 CB 0.970 15 residues pruned to eliminate duplicates Z: 7 6.262 1.667 0.066 0.867 1.000 1.000 CB 1.053 Z: 30 26.735 2.055 0.405 0.588 0.931 0.552 CB 1.698 34 residues pruned to eliminate duplicates Z: 23 23.825 1.983 0.724 0.603 0.955 0.773 CB 1.411 23 residues pruned to eliminate duplicates Z: 16 6.153 1.823 0.428 0.352 0.800 0.667 CB 0.895 16 residues pruned to eliminate duplicates Z: 17 13.656 1.994 0.416 0.467 0.812 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 25 14.010 1.875 0.434 0.467 0.875 0.542 CB 1.258 25 residues pruned to eliminate duplicates Z: 37 24.107 1.895 0.379 0.662 0.917 0.722 CB 1.444 33 residues pruned to eliminate duplicates Z: 57 25.702 1.981 0.375 0.457 0.929 0.607 CA 1.419 58 residues pruned to eliminate duplicates Z: 8 4.806 1.571 -0.058 0.585 1.000 0.714 CB 1.131 Z: 20 20.957 1.957 0.960 0.802 0.789 0.211 CB 1.219 20 residues pruned to eliminate duplicates Z: 18 9.266 1.884 0.196 0.411 0.824 0.706 CA 1.329 18 residues pruned to eliminate duplicates Z: 10 4.660 1.439 0.686 0.358 0.778 0.556 CA 0.960 Z: 12 4.665 1.816 0.245 0.200 0.727 0.455 CA 1.222 10 residues pruned to eliminate duplicates Z: 9 5.265 1.738 0.333 0.371 0.875 0.375 CB 1.054 9 residues pruned to eliminate duplicates Z: 15 12.461 2.023 0.525 0.489 0.857 0.571 CB 1.273 15 residues pruned to eliminate duplicates Z: 29 10.546 1.812 0.402 0.329 0.821 0.393 CB 1.153 29 residues pruned to eliminate duplicates Z: 54 23.009 1.975 0.395 0.435 0.906 0.623 CB 1.355 54 residues pruned to eliminate duplicates Z: 18 10.992 1.906 0.356 0.446 0.824 0.588 CA 1.324 24 residues pruned to eliminate duplicates Z: 12 7.316 1.930 0.271 0.404 0.818 0.636 N 1.215 12 residues pruned to eliminate duplicates Z: 8 6.002 1.521 0.459 0.442 1.000 0.714 N 1.085 5 residues pruned to eliminate duplicates Z: 28 10.649 1.799 0.198 0.409 0.852 0.407 CA 1.228 28 residues pruned to eliminate duplicates Z: 6 4.095 1.597 0.025 0.578 1.000 0.600 CB 1.038 Z: 23 30.158 1.909 0.682 0.892 1.000 0.727 CA 1.439 24 residues pruned to eliminate duplicates Z: 35 31.699 2.004 0.682 0.707 0.971 0.824 CB 1.376 34 residues pruned to eliminate duplicates Z: 13 9.549 1.814 0.049 0.471 1.000 0.583 CB 1.492 13 residues pruned to eliminate duplicates Z: 19 16.636 1.989 0.839 0.292 0.889 0.556 CB 1.524 19 residues pruned to eliminate duplicates Z: 11 8.026 1.750 -0.037 0.573 0.900 0.800 N 1.558 11 residues pruned to eliminate duplicates Z: 18 30.646 2.056 0.665 0.899 1.000 0.294 CA 1.552 18 residues pruned to eliminate duplicates Z: 12 5.790 1.752 0.231 0.456 0.909 0.727 CB 0.932 12 residues pruned to eliminate duplicates Z: 15 7.665 1.862 0.110 0.450 0.857 0.571 CA 1.217 15 residues pruned to eliminate duplicates Z: 10 10.290 1.958 0.323 0.538 1.000 0.778 CA 1.274 10 residues pruned to eliminate duplicates Z: 23 11.060 1.997 0.181 0.509 0.773 0.591 CB 1.282 23 residues pruned to eliminate duplicates Z: 11 7.980 1.744 0.537 0.417 0.900 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 9 4.537 1.299 0.680 0.279 1.000 0.375 CA 0.943 Z: 6 3.432 1.736 0.147 0.265 1.000 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 9 4.824 1.680 0.311 0.479 0.750 0.500 CB 1.054 15 residues pruned to eliminate duplicates Z: 17 7.409 1.742 0.116 0.409 0.812 0.562 CA 1.290 17 residues pruned to eliminate duplicates Z: 21 45.855 2.325 1.103 0.921 0.900 0.650 CB 1.639 21 residues pruned to eliminate duplicates Z: 11 6.044 1.812 0.376 0.434 0.900 0.500 CB 0.912 11 residues pruned to eliminate duplicates Z: 10 4.635 1.440 0.270 0.361 0.889 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 29 14.686 2.001 0.282 0.485 0.821 0.607 CB 1.337 29 residues pruned to eliminate duplicates Z: 27 20.458 1.992 0.575 0.464 0.923 0.654 CB 1.438 27 residues pruned to eliminate duplicates Z: 11 7.795 1.809 0.619 0.271 0.700 0.500 CA 1.560 11 residues pruned to eliminate duplicates Z: 10 14.155 2.044 0.620 0.700 1.000 0.778 CA 1.188 10 residues pruned to eliminate duplicates Z: 6 4.260 1.573 0.900 0.286 0.800 0.400 N 1.013 6 1.685 1.195 0.041 0.530 0.800 0.400 CA 0.735 ? Z: 14 12.583 1.960 0.620 0.483 0.923 0.615 CB 1.211 14 residues pruned to eliminate duplicates Z: 22 14.791 1.735 0.523 0.500 0.952 0.619 CB 1.284 19 residues pruned to eliminate duplicates Z: 38 29.050 2.066 0.792 0.619 0.811 0.486 CB 1.421 38 residues pruned to eliminate duplicates Z: 17 13.240 1.854 0.430 0.591 0.938 0.688 CB 1.220 17 residues pruned to eliminate duplicates Z: 15 14.435 2.075 0.262 0.862 0.929 0.714 CB 1.165 15 residues pruned to eliminate duplicates Z: 8 5.520 1.770 0.236 0.345 1.000 0.714 CB 1.128 Z: 6 2.216 1.330 0.290 0.413 0.800 0.400 CB 0.791 Z: 16 22.303 2.085 0.582 0.917 1.000 0.733 CA 1.231 16 residues pruned to eliminate duplicates Z: 11 6.805 1.914 0.247 0.199 0.900 0.500 CB 1.434 11 residues pruned to eliminate duplicates Z: 6 3.391 1.606 0.386 0.517 1.000 0.400 CB 0.670 7 residues pruned to eliminate duplicates Z: 10 6.068 1.777 0.314 0.486 0.778 0.556 CA 1.129 10 residues pruned to eliminate duplicates Z: 32 24.315 2.054 0.800 0.542 0.903 0.581 CB 1.255 32 residues pruned to eliminate duplicates Z: 27 14.224 1.802 0.386 0.448 0.846 0.500 CB 1.392 27 residues pruned to eliminate duplicates Z: 14 4.478 1.682 0.299 0.310 0.692 0.308 CB 1.013 14 residues pruned to eliminate duplicates Z: 31 22.226 1.963 0.658 0.444 0.900 0.533 CB 1.469 31 residues pruned to eliminate duplicates 7 1.803 1.320 0.520 0.248 0.667 0.500 N 0.736 ? Z: 12 16.238 2.028 0.370 0.589 1.000 0.545 CB 1.618 14 residues pruned to eliminate duplicates Z: 11 8.611 1.708 0.539 0.470 0.800 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 15 9.940 1.693 0.304 0.479 1.000 0.643 CB 1.229 15 residues pruned to eliminate duplicates Z: 9 13.619 1.845 0.599 0.876 1.000 0.625 CA 1.187 9 residues pruned to eliminate duplicates Z: 7 4.082 1.614 0.840 0.541 0.667 0.667 CB 0.809 Z: 21 12.522 1.907 0.237 0.581 0.900 0.550 CA 1.220 21 residues pruned to eliminate duplicates Z: 15 6.742 1.790 0.148 0.373 0.857 0.357 CB 1.172 15 residues pruned to eliminate duplicates Z: 6 6.402 1.532 0.598 0.831 1.000 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 24 15.070 1.965 0.513 0.605 0.870 0.478 CB 1.100 24 residues pruned to eliminate duplicates Z: 11 5.707 1.737 0.773 0.299 0.800 0.500 CB 0.916 11 residues pruned to eliminate duplicates Z: 10 3.854 1.490 0.099 0.373 0.889 0.444 CB 1.011 Z: 16 10.399 1.801 0.411 0.448 0.800 0.333 CB 1.394 6 1.826 1.590 0.323 0.299 0.600 0.400 CA 0.810 ? Z: 12 6.344 1.764 0.565 0.484 0.727 0.364 CB 0.968 12 residues pruned to eliminate duplicates Z: 9 3.342 1.469 0.401 0.330 0.625 0.250 C 1.107 Z: 8 7.301 1.715 0.348 0.469 1.000 0.857 N 1.233 Z: 6 2.613 1.395 -0.024 0.682 1.000 0.600 CB 0.726 Z: 26 15.376 1.926 0.396 0.418 0.840 0.600 CB 1.484 26 residues pruned to eliminate duplicates Z: 7 4.265 1.364 0.566 0.327 1.000 0.500 C 0.986 Z: 18 10.601 1.804 0.464 0.335 0.882 0.529 CA 1.321 17 residues pruned to eliminate duplicates Z: 15 36.506 2.139 0.990 0.897 1.000 0.857 CA 1.641 15 residues pruned to eliminate duplicates Z: 14 12.671 1.845 0.581 0.559 0.923 0.846 CB 1.232 14 residues pruned to eliminate duplicates Z: 40 26.815 2.048 0.570 0.461 0.949 0.462 CB 1.466 40 residues pruned to eliminate duplicates Z: 11 6.333 1.609 0.334 0.497 0.900 0.800 CB 1.039 9 residues pruned to eliminate duplicates Z: 6 6.448 1.625 0.888 0.533 0.800 0.600 CA 1.138 Z: 6 3.903 1.624 0.357 0.479 1.000 0.400 CB 0.809 Z: 9 5.206 1.690 0.509 0.520 0.750 0.625 N 0.944 6 residues pruned to eliminate duplicates Z: 9 2.162 1.408 0.333 0.194 0.750 0.375 CB 0.782 Z: 32 16.220 1.897 0.425 0.394 0.871 0.548 CA 1.383 32 residues pruned to eliminate duplicates Z: 16 22.464 2.015 0.716 0.863 1.000 0.667 CA 1.231 16 residues pruned to eliminate duplicates Z: 27 19.586 2.027 0.332 0.721 0.962 0.731 CA 1.211 27 residues pruned to eliminate duplicates Z: 24 14.244 1.909 0.471 0.423 0.870 0.391 CB 1.318 24 residues pruned to eliminate duplicates Z: 7 4.981 1.814 0.177 0.531 0.833 0.500 CB 1.108 Z: 7 2.575 1.725 0.164 0.248 0.667 0.667 CA 1.050 5 residues pruned to eliminate duplicates 6 1.651 1.077 1.007 0.299 0.800 0.600 C 0.534 ? Z: 9 9.242 1.870 0.263 0.887 1.000 1.000 CA 0.997 9 residues pruned to eliminate duplicates 7 1.252 1.228 0.264 0.408 0.667 0.333 CB 0.544 ? Z: 6 7.402 1.573 0.676 0.662 1.000 0.600 N 1.081 6 residues pruned to eliminate duplicates Z: 19 12.410 1.907 0.614 0.384 0.833 0.611 CB 1.289 19 residues pruned to eliminate duplicates Z: 8 2.361 1.398 0.103 0.439 0.714 0.429 N 0.863 Z: 8 5.661 1.559 0.324 0.794 0.714 0.429 CA 1.122 8 residues pruned to eliminate duplicates Z: 18 40.848 2.268 0.939 0.928 1.000 0.647 CB 1.578 18 residues pruned to eliminate duplicates 6 1.955 1.486 -0.046 0.299 1.000 0.800 CA 0.771 ? Z: 38 15.759 1.868 0.390 0.373 0.892 0.541 CA 1.281 38 residues pruned to eliminate duplicates Z: 8 6.018 1.784 0.179 0.636 1.000 0.571 CB 0.952 10 residues pruned to eliminate duplicates Z: 14 10.151 1.785 0.585 0.362 0.846 0.538 CA 1.363 14 residues pruned to eliminate duplicates Z: 16 9.645 1.913 0.187 0.456 0.867 0.600 CA 1.323 16 residues pruned to eliminate duplicates 6 1.395 1.052 0.430 0.299 0.800 0.600 CB 0.649 ? Z: 9 9.288 1.833 0.444 0.526 1.000 0.500 CA 1.209 9 residues pruned to eliminate duplicates Z: 18 15.101 1.893 0.423 0.493 0.882 0.588 CA 1.551 18 residues pruned to eliminate duplicates Z: 16 19.890 2.128 0.423 0.868 1.000 0.800 CB 1.240 16 residues pruned to eliminate duplicates Z: 34 15.669 1.798 0.417 0.405 0.879 0.606 CA 1.346 33 residues pruned to eliminate duplicates Z: 6 3.575 1.511 0.278 0.662 0.800 0.800 CA 0.891 6 residues pruned to eliminate duplicates Z: 32 15.600 1.942 0.442 0.428 0.806 0.484 CB 1.337 30 residues pruned to eliminate duplicates Z: 12 3.287 1.475 0.311 0.395 0.818 0.455 CB 0.700 Z: 11 15.394 2.083 0.614 0.602 0.900 0.900 CB 1.461 11 residues pruned to eliminate duplicates Z: 12 12.040 1.928 0.591 0.696 1.000 0.727 CB 0.990 12 residues pruned to eliminate duplicates Z: 10 2.811 1.452 0.011 0.537 0.667 0.444 N 0.924 Z: 14 9.200 1.852 0.600 0.380 0.923 0.615 CA 1.061 14 residues pruned to eliminate duplicates Z: 16 10.287 1.904 0.123 0.466 0.933 0.667 CA 1.378 16 residues pruned to eliminate duplicates Z: 9 2.560 1.549 0.040 0.419 0.750 0.375 CB 0.816 9 residues pruned to eliminate duplicates Z: 13 5.106 1.777 0.435 0.275 0.750 0.167 CB 0.995 13 residues pruned to eliminate duplicates Z: 6 3.646 1.313 0.491 0.554 0.800 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 24 12.456 1.863 0.368 0.449 0.739 0.522 CA 1.453 24 residues pruned to eliminate duplicates Z: 6 9.500 1.743 0.782 0.666 1.000 0.800 CA 1.173 6 residues pruned to eliminate duplicates Z: 10 5.927 1.853 0.128 0.396 0.778 0.556 CB 1.356 10 residues pruned to eliminate duplicates Z: 10 12.872 1.971 0.476 0.617 1.000 0.889 CA 1.320 10 residues pruned to eliminate duplicates Z: 8 5.090 1.526 0.406 0.591 0.857 0.714 CA 0.958 8 residues pruned to eliminate duplicates Z: 47 22.388 1.868 0.448 0.476 0.870 0.587 CB 1.438 47 residues pruned to eliminate duplicates Z: 8 3.023 1.365 0.133 0.484 0.857 0.571 CB 0.876 8 residues pruned to eliminate duplicates Z: 9 3.318 1.600 0.328 0.549 0.750 0.500 CB 0.702 9 residues pruned to eliminate duplicates Z: 12 3.387 1.426 0.711 0.250 0.727 0.364 CB 0.767 6 1.975 1.280 0.116 0.489 0.800 0.600 CB 0.782 ? Z: 39 20.147 1.982 0.422 0.430 0.947 0.526 CB 1.316 39 residues pruned to eliminate duplicates Z: 11 11.487 1.796 0.530 0.725 0.900 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 10 10.519 1.886 0.534 0.787 0.778 0.333 CB 1.210 10 residues pruned to eliminate duplicates Z: 22 17.942 1.930 0.630 0.558 0.905 0.571 CA 1.300 22 residues pruned to eliminate duplicates Z: 23 32.462 1.919 0.804 0.936 0.955 0.636 CB 1.459 23 residues pruned to eliminate duplicates Z: 6 5.579 1.895 0.350 0.500 0.800 0.400 CB 1.219 6 residues pruned to eliminate duplicates Z: 7 5.771 1.441 0.579 0.856 1.000 0.667 CB 0.764 7 residues pruned to eliminate duplicates Z: 7 3.610 1.316 0.586 0.652 0.833 0.667 CA 0.736 Z: 11 16.607 2.071 0.448 0.807 1.000 0.600 CA 1.340 11 residues pruned to eliminate duplicates Z: 14 12.926 1.966 0.442 0.525 0.923 0.538 CB 1.336 14 residues pruned to eliminate duplicates Z: 7 4.258 1.567 0.182 0.557 0.833 0.667 N 1.065 Z: 58 25.551 1.966 0.351 0.501 0.947 0.632 CB 1.344 58 residues pruned to eliminate duplicates Z: 15 15.516 1.768 0.497 0.710 1.000 0.571 CA 1.295 15 residues pruned to eliminate duplicates Z: 17 19.089 2.058 0.419 0.839 0.938 0.750 CB 1.302 17 residues pruned to eliminate duplicates Z: 6 3.616 1.513 0.426 0.474 1.000 0.600 N 0.770 Z: 7 6.619 1.514 0.694 0.488 1.000 0.333 O 1.066 Z: 7 5.589 1.677 0.032 0.556 1.000 1.000 N 1.249 Z: 8 4.643 1.727 0.674 0.239 0.714 0.429 N 1.150 8 residues pruned to eliminate duplicates Z: 21 20.080 2.026 0.751 0.649 0.900 0.700 CB 1.224 21 residues pruned to eliminate duplicates Z: 8 4.501 1.032 0.992 0.819 0.857 0.714 CB 0.732 6 1.716 1.536 0.535 0.289 0.400 0.400 C 1.032 ? 6 1.722 1.410 -0.109 0.234 0.800 0.200 O 1.043 ? Z: 6 2.403 1.337 0.101 0.389 0.800 0.600 O 1.027 Z: 6 3.426 1.655 -0.404 0.868 1.000 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 12 10.300 2.038 0.182 0.454 0.909 0.727 N 1.486 12 residues pruned to eliminate duplicates 8 1.923 1.163 0.601 0.402 0.714 0.571 CB 0.605 ? Z: 7 12.894 2.091 0.331 0.738 1.000 1.000 CA 1.527 7 residues pruned to eliminate duplicates Z: 15 12.742 1.904 0.317 0.751 0.929 0.714 CB 1.169 15 residues pruned to eliminate duplicates Z: 27 16.940 1.884 0.426 0.553 0.885 0.615 CB 1.328 27 residues pruned to eliminate duplicates Z: 10 6.246 1.899 0.071 0.252 1.000 0.556 CA 1.360 22 residues pruned to eliminate duplicates Z: 19 13.913 1.877 0.659 0.419 0.833 0.444 CA 1.374 19 residues pruned to eliminate duplicates Z: 21 12.179 1.980 0.205 0.488 0.900 0.600 CB 1.283 21 residues pruned to eliminate duplicates Z: 6 2.036 0.996 0.984 0.650 0.800 0.600 N 0.501 Z: 15 4.640 1.567 0.175 0.256 0.786 0.571 CB 1.134 15 residues pruned to eliminate duplicates Z: 13 10.178 1.641 0.951 0.443 0.750 0.583 CB 1.298 26 residues pruned to eliminate duplicates Z: 16 11.155 1.841 0.489 0.693 0.867 0.667 CB 1.016 16 residues pruned to eliminate duplicates Z: 12 13.286 2.034 0.534 0.548 0.818 0.545 CB 1.498 12 residues pruned to eliminate duplicates Z: 34 20.937 1.911 0.555 0.454 0.909 0.576 CA 1.414 34 residues pruned to eliminate duplicates Z: 10 3.832 1.322 0.821 0.264 0.667 0.222 CA 1.041 Z: 14 12.846 2.012 0.911 0.282 0.923 0.308 CB 1.284 30 residues pruned to eliminate duplicates Z: 6 5.954 1.502 1.007 0.407 1.000 0.600 CA 0.973 Z: 7 8.803 1.782 0.313 0.818 1.000 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 12 10.184 2.046 0.188 0.450 1.000 0.727 CA 1.329 12 residues pruned to eliminate duplicates Z: 8 6.231 2.075 0.182 0.300 0.857 0.571 CA 1.400 8 residues pruned to eliminate duplicates Z: 7 2.925 1.420 0.184 0.460 0.833 0.500 CB 0.888 Z: 30 15.952 1.925 0.558 0.322 0.828 0.414 CA 1.452 30 residues pruned to eliminate duplicates Z: 46 27.911 1.981 0.461 0.596 0.978 0.578 CA 1.342 46 residues pruned to eliminate duplicates Z: 24 32.655 1.890 0.881 0.872 1.000 0.652 CB 1.396 24 residues pruned to eliminate duplicates Z: 7 8.984 1.726 0.324 0.652 1.000 0.667 CA 1.393 7 residues pruned to eliminate duplicates Z: 9 2.515 1.262 0.389 0.186 0.875 0.500 CB 0.845 Z: 19 9.389 1.886 0.482 0.410 0.778 0.611 CB 1.119 19 residues pruned to eliminate duplicates Z: 16 15.145 1.885 0.430 0.500 1.000 0.400 CA 1.452 16 residues pruned to eliminate duplicates Z: 9 3.169 1.558 -0.050 0.299 0.750 0.625 CA 1.264 Z: 36 21.497 1.950 0.651 0.445 0.886 0.629 CA 1.349 22 residues pruned to eliminate duplicates 6 1.931 1.243 0.183 0.258 1.000 0.600 CA 0.774 ? Z: 40 37.414 2.167 0.737 0.635 0.974 0.615 CB 1.439 40 residues pruned to eliminate duplicates Z: 25 21.551 1.992 0.696 0.628 0.792 0.500 CB 1.458 25 residues pruned to eliminate duplicates Z: 6 2.615 1.305 0.061 0.364 1.000 0.600 C 0.976 Z: 6 4.408 1.818 -0.016 0.844 1.000 1.000 CA 0.820 6 residues pruned to eliminate duplicates Z: 9 3.045 1.305 0.671 0.395 0.875 0.625 CB 0.630 Z: 21 10.035 1.835 0.293 0.347 0.850 0.450 CA 1.313 21 residues pruned to eliminate duplicates Z: 6 4.444 1.389 0.283 0.736 1.000 0.400 N 0.902 Z: 8 3.492 1.529 0.779 0.241 0.714 0.429 N 0.917 Z: 9 4.818 1.643 0.105 0.561 0.750 0.625 CB 1.180 9 residues pruned to eliminate duplicates Z: 6 4.571 1.687 0.154 0.598 0.800 0.400 CA 1.196 6 residues pruned to eliminate duplicates Z: 6 5.118 1.484 0.646 0.461 1.000 0.600 CA 0.975 Z: 20 14.910 1.914 0.467 0.583 0.842 0.684 CB 1.335 20 residues pruned to eliminate duplicates 7 1.527 1.185 0.038 0.350 0.667 0.500 CA 0.895 ? Using tripeptides from previous cycle as seeds Z: 6 3.875 1.495 0.810 0.389 0.800 0.400 CB 0.900 Z: 8 7.270 1.898 0.230 0.412 1.000 0.571 CB 1.290 8 residues pruned to eliminate duplicates Z: 16 4.918 1.601 0.378 0.305 0.733 0.333 CB 0.976 22 residues pruned to eliminate duplicates Z: 8 5.012 1.354 0.623 0.438 0.857 0.286 CA 1.072 Z: 6 3.630 1.796 0.039 0.360 1.000 0.200 CA 1.013 6 residues pruned to eliminate duplicates Z: 17 10.765 1.847 0.232 0.439 0.938 0.500 CA 1.344 17 residues pruned to eliminate duplicates Z: 6 5.221 1.545 0.362 0.418 1.000 0.600 C 1.209 6 residues pruned to eliminate duplicates Z: 7 6.956 1.661 0.686 0.760 0.833 0.500 CA 0.966 6 residues pruned to eliminate duplicates Z: 6 7.299 1.698 0.784 0.767 0.800 0.200 CB 1.063 6 residues pruned to eliminate duplicates Z: 9 3.338 1.742 0.437 0.257 0.750 0.250 CB 0.830 9 residues pruned to eliminate duplicates Z: 6 5.539 1.952 0.467 0.554 0.800 0.200 CB 1.026 6 residues pruned to eliminate duplicates Z: 12 5.484 1.870 0.309 0.361 0.818 0.364 CB 0.958 12 residues pruned to eliminate duplicates Z: 10 11.869 1.929 0.787 0.531 0.889 0.667 CA 1.253 12 residues pruned to eliminate duplicates Z: 7 10.425 1.917 0.564 0.627 1.000 0.667 CA 1.259 7 residues pruned to eliminate duplicates Z: 8 6.478 1.589 0.613 0.661 0.857 0.429 CB 0.960 8 residues pruned to eliminate duplicates Z: 16 8.440 1.756 0.505 0.349 0.933 0.467 CB 1.040 14 residues pruned to eliminate duplicates Z: 7 12.756 1.806 0.818 0.734 1.000 0.500 CA 1.285 9 residues pruned to eliminate duplicates Z: 8 12.914 1.738 0.826 0.701 1.000 0.571 CA 1.280 7 residues pruned to eliminate duplicates Z: 8 13.282 1.703 0.870 0.731 1.000 0.571 CA 1.280 8 residues pruned to eliminate duplicates Z: 24 16.867 1.997 0.385 0.494 0.913 0.565 CA 1.401 24 residues pruned to eliminate duplicates Z: 26 16.581 1.940 0.414 0.462 0.920 0.640 CA 1.367 27 residues pruned to eliminate duplicates Z: 7 11.757 2.045 0.494 0.667 1.000 0.667 CB 1.347 7 residues pruned to eliminate duplicates Z: 25 14.026 1.958 0.394 0.376 0.917 0.417 CA 1.307 25 residues pruned to eliminate duplicates Z: 24 16.521 2.016 0.447 0.465 0.870 0.565 CA 1.407 24 residues pruned to eliminate duplicates Z: 10 9.189 1.789 0.542 0.422 0.889 0.333 N 1.355 10 residues pruned to eliminate duplicates Z: 25 15.881 1.992 0.326 0.412 0.958 0.375 CA 1.405 25 residues pruned to eliminate duplicates Z: 6 4.391 1.616 0.259 0.462 1.000 0.600 CA 1.004 6 residues pruned to eliminate duplicates Z: 28 14.905 1.893 0.485 0.439 0.889 0.593 CB 1.223 26 residues pruned to eliminate duplicates Z: 6 3.759 1.152 0.701 0.443 1.000 0.800 O 0.910 6 residues pruned to eliminate duplicates Z: 15 10.526 1.869 0.427 0.482 0.929 0.571 CB 1.157 14 residues pruned to eliminate duplicates Z: 8 3.660 1.557 0.235 0.584 1.000 0.571 CB 0.664 8 residues pruned to eliminate duplicates Z: 10 8.439 1.878 0.444 0.326 1.000 0.556 CB 1.256 10 residues pruned to eliminate duplicates Z: 16 8.840 1.885 0.398 0.407 0.800 0.533 CB 1.193 15 residues pruned to eliminate duplicates Z: 6 9.573 1.891 0.387 0.630 1.000 0.800 CB 1.444 6 residues pruned to eliminate duplicates Z: 23 13.500 2.025 0.585 0.347 0.818 0.636 CB 1.293 23 residues pruned to eliminate duplicates Z: 25 11.859 1.958 0.474 0.335 0.875 0.792 CB 1.148 25 residues pruned to eliminate duplicates Z: 28 14.359 1.983 0.372 0.388 0.889 0.593 CB 1.286 28 residues pruned to eliminate duplicates Z: 32 14.800 2.021 0.351 0.358 0.839 0.613 CB 1.353 32 residues pruned to eliminate duplicates Z: 23 15.841 2.010 0.652 0.402 0.818 0.682 CA 1.378 23 residues pruned to eliminate duplicates Z: 29 13.862 1.982 0.406 0.349 0.786 0.429 CB 1.409 29 residues pruned to eliminate duplicates Z: 24 12.608 1.898 0.501 0.353 0.783 0.565 CB 1.383 24 residues pruned to eliminate duplicates Z: 25 14.824 1.901 0.393 0.423 0.917 0.458 CB 1.350 25 residues pruned to eliminate duplicates Z: 13 10.415 2.094 0.524 0.354 0.833 0.500 CB 1.324 13 residues pruned to eliminate duplicates Z: 27 16.133 1.990 0.450 0.428 0.846 0.615 CB 1.396 27 residues pruned to eliminate duplicates Z: 8 14.404 2.256 0.534 0.572 1.000 0.857 CA 1.467 8 residues pruned to eliminate duplicates Z: 33 15.659 1.979 0.416 0.362 0.812 0.500 CB 1.410 33 residues pruned to eliminate duplicates Z: 27 14.736 2.072 0.387 0.346 0.846 0.538 CB 1.406 27 residues pruned to eliminate duplicates Z: 10 5.376 2.030 0.066 0.421 0.667 0.333 CB 1.349 10 residues pruned to eliminate duplicates Z: 12 6.484 1.872 0.429 0.418 0.727 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 4.568 1.967 0.166 0.490 0.667 0.500 CB 1.232 Z: 21 11.204 1.958 0.292 0.397 0.800 0.500 CB 1.381 21 residues pruned to eliminate duplicates Z: 7 6.001 1.768 0.581 0.464 1.000 0.333 CB 0.909 7 residues pruned to eliminate duplicates Z: 22 11.084 1.932 0.263 0.427 0.810 0.476 CB 1.322 22 residues pruned to eliminate duplicates Z: 21 10.966 1.956 0.233 0.403 0.850 0.500 CB 1.324 21 residues pruned to eliminate duplicates Z: 7 8.991 1.782 1.020 0.493 0.833 0.500 CB 1.233 7 residues pruned to eliminate duplicates Z: 18 11.211 1.896 0.369 0.397 0.941 0.588 CB 1.242 18 residues pruned to eliminate duplicates Z: 13 12.134 2.004 0.440 0.503 0.917 0.667 CB 1.320 13 residues pruned to eliminate duplicates Z: 14 13.043 1.932 0.581 0.462 1.000 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 6 2.542 1.619 0.609 0.315 0.800 0.200 CA 0.669 Z: 6 3.268 1.593 0.228 0.379 0.800 0.000 CA 1.063 4 residues pruned to eliminate duplicates 6 1.900 1.365 0.749 0.300 0.800 0.600 CA 0.556 ? Z: 6 5.741 1.856 0.514 0.232 1.000 0.200 CA 1.247 6 residues pruned to eliminate duplicates Z: 25 13.126 1.976 0.424 0.372 0.875 0.500 CB 1.248 32 residues pruned to eliminate duplicates Z: 13 16.465 2.079 0.707 0.478 0.917 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 15 15.613 2.098 0.661 0.413 0.929 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 10 11.038 2.058 0.511 0.444 0.889 0.556 CB 1.409 10 residues pruned to eliminate duplicates Z: 22 14.216 2.026 0.413 0.390 0.857 0.571 CB 1.420 22 residues pruned to eliminate duplicates Z: 11 17.726 2.110 0.660 0.610 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 19 9.976 2.026 0.327 0.377 0.722 0.556 CB 1.380 19 residues pruned to eliminate duplicates Z: 18 12.761 2.071 0.401 0.396 0.882 0.647 CB 1.349 18 residues pruned to eliminate duplicates Z: 25 14.664 2.035 0.457 0.406 0.792 0.583 CB 1.409 25 residues pruned to eliminate duplicates Z: 46 42.216 2.215 0.696 0.618 0.933 0.644 CA 1.605 46 residues pruned to eliminate duplicates Z: 14 8.916 1.990 0.231 0.393 0.846 0.385 CB 1.337 14 residues pruned to eliminate duplicates Z: 12 6.860 2.053 0.337 0.312 0.727 0.364 CB 1.276 12 residues pruned to eliminate duplicates Z: 10 10.003 2.065 0.451 0.369 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 13 7.521 1.747 0.389 0.387 0.750 0.500 CA 1.344 13 residues pruned to eliminate duplicates Z: 11 7.115 2.030 0.398 0.298 0.800 0.500 CB 1.241 11 residues pruned to eliminate duplicates Z: 12 7.414 1.952 0.527 0.285 0.727 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 9 12.078 2.082 0.736 0.420 0.875 0.500 CB 1.467 9 residues pruned to eliminate duplicates Z: 85 46.709 2.155 0.653 0.539 0.940 0.595 CB 1.465 85 residues pruned to eliminate duplicates Z: 41 36.027 2.207 0.696 0.627 0.875 0.600 CA 1.543 41 residues pruned to eliminate duplicates Z: 25 31.088 2.251 0.735 0.675 0.958 0.583 CA 1.443 25 residues pruned to eliminate duplicates Z: 45 40.716 2.149 0.686 0.634 0.955 0.705 CA 1.565 45 residues pruned to eliminate duplicates Z: 39 42.017 2.210 0.783 0.675 0.947 0.684 CA 1.553 39 residues pruned to eliminate duplicates Z: 39 41.897 2.245 0.613 0.696 0.974 0.789 CB 1.612 39 residues pruned to eliminate duplicates Z: 39 39.645 2.232 0.687 0.660 0.974 0.658 CA 1.512 39 residues pruned to eliminate duplicates Z: 76 51.193 2.177 0.673 0.580 0.960 0.600 CA 1.565 76 residues pruned to eliminate duplicates Z: 42 30.747 2.155 0.442 0.618 0.951 0.659 CA 1.453 42 residues pruned to eliminate duplicates Z: 62 50.213 2.228 0.775 0.590 0.951 0.574 CB 1.569 62 residues pruned to eliminate duplicates Z: 35 32.250 2.233 0.477 0.661 0.941 0.647 CA 1.535 35 residues pruned to eliminate duplicates Z: 33 35.266 2.205 0.550 0.657 1.000 0.500 CA 1.576 33 residues pruned to eliminate duplicates Z: 76 48.596 2.182 0.768 0.571 0.920 0.560 CB 1.475 76 residues pruned to eliminate duplicates Z: 74 50.325 2.198 0.645 0.596 0.986 0.630 CB 1.508 74 residues pruned to eliminate duplicates Z: 39 42.289 2.225 0.774 0.681 0.947 0.632 CA 1.554 39 residues pruned to eliminate duplicates Z: 24 30.311 2.254 0.813 0.637 0.913 0.696 CA 1.490 24 residues pruned to eliminate duplicates Z: 38 33.199 2.186 0.587 0.627 0.973 0.649 CA 1.434 38 residues pruned to eliminate duplicates Z: 48 40.697 2.173 0.718 0.655 0.936 0.617 CA 1.471 48 residues pruned to eliminate duplicates Z: 77 49.133 2.186 0.677 0.582 0.921 0.553 CB 1.542 77 residues pruned to eliminate duplicates Z: 60 44.608 2.217 0.715 0.576 0.932 0.593 CB 1.522 60 residues pruned to eliminate duplicates Z: 81 43.714 2.170 0.582 0.536 0.925 0.512 CB 1.486 81 residues pruned to eliminate duplicates Z: 75 51.286 2.207 0.682 0.581 0.959 0.595 CB 1.548 75 residues pruned to eliminate duplicates Z: 102 47.793 2.135 0.646 0.500 0.911 0.574 CB 1.485 102 residues pruned to eliminate duplicates Z: 62 45.486 2.191 0.697 0.576 0.934 0.607 CB 1.557 62 residues pruned to eliminate duplicates Z: 38 39.881 2.219 0.772 0.652 0.946 0.649 CB 1.531 38 residues pruned to eliminate duplicates Z: 76 46.344 2.175 0.711 0.562 0.907 0.587 CB 1.493 76 residues pruned to eliminate duplicates Z: 34 39.238 2.252 0.776 0.675 0.970 0.606 CA 1.500 34 residues pruned to eliminate duplicates Z: 40 41.873 2.232 0.835 0.648 0.923 0.641 CB 1.544 40 residues pruned to eliminate duplicates Z: 72 44.584 2.182 0.709 0.548 0.915 0.521 CB 1.478 72 residues pruned to eliminate duplicates Z: 38 42.281 2.239 0.873 0.680 0.919 0.541 CA 1.529 38 residues pruned to eliminate duplicates Z: 44 46.275 2.231 0.748 0.711 0.977 0.605 CB 1.530 44 residues pruned to eliminate duplicates Z: 53 43.439 2.140 0.816 0.654 0.904 0.558 CB 1.486 53 residues pruned to eliminate duplicates Z: 37 41.759 2.239 0.814 0.676 0.917 0.583 CA 1.589 37 residues pruned to eliminate duplicates Z: 78 47.339 2.181 0.745 0.535 0.922 0.494 CB 1.485 78 residues pruned to eliminate duplicates Z: 74 44.898 2.167 0.726 0.558 0.890 0.644 CB 1.491 74 residues pruned to eliminate duplicates Z: 44 27.646 2.101 0.617 0.492 0.907 0.512 CB 1.378 44 residues pruned to eliminate duplicates Z: 74 51.336 2.185 0.740 0.565 0.945 0.438 CB 1.571 74 residues pruned to eliminate duplicates Z: 36 27.643 2.128 0.612 0.484 0.943 0.571 CB 1.468 36 residues pruned to eliminate duplicates Z: 63 43.275 2.173 0.848 0.502 0.887 0.484 CB 1.540 63 residues pruned to eliminate duplicates Z: 73 42.855 2.199 0.624 0.548 0.931 0.514 CB 1.450 73 residues pruned to eliminate duplicates Z: 49 37.499 2.163 0.727 0.655 0.917 0.521 CB 1.369 49 residues pruned to eliminate duplicates Z: 47 21.779 2.060 0.592 0.381 0.826 0.391 CB 1.345 47 residues pruned to eliminate duplicates Z: 37 24.034 2.150 0.608 0.442 0.917 0.444 CB 1.342 37 residues pruned to eliminate duplicates Z: 43 29.057 2.139 0.685 0.508 0.905 0.595 CB 1.364 43 residues pruned to eliminate duplicates Z: 75 48.348 2.209 0.652 0.558 0.946 0.541 CB 1.540 75 residues pruned to eliminate duplicates Z: 36 24.009 2.144 0.638 0.417 0.971 0.457 CB 1.298 36 residues pruned to eliminate duplicates Z: 45 28.554 2.102 0.678 0.451 0.932 0.523 CB 1.376 45 residues pruned to eliminate duplicates Z: 12 13.863 2.213 0.801 0.329 0.909 0.455 CB 1.392 12 residues pruned to eliminate duplicates Z: 27 19.888 2.145 0.768 0.355 0.923 0.538 CB 1.303 27 residues pruned to eliminate duplicates Z: 79 46.003 2.160 0.687 0.548 0.949 0.564 CB 1.438 79 residues pruned to eliminate duplicates Z: 84 49.319 2.179 0.689 0.560 0.916 0.518 CB 1.514 84 residues pruned to eliminate duplicates Z: 12 16.346 2.261 0.948 0.321 0.909 0.364 CB 1.499 12 residues pruned to eliminate duplicates Z: 19 18.116 2.120 0.931 0.341 0.833 0.556 CB 1.487 19 residues pruned to eliminate duplicates Z: 32 26.821 2.085 0.850 0.401 0.935 0.516 CB 1.481 32 residues pruned to eliminate duplicates Z: 30 21.394 2.107 0.684 0.346 0.897 0.483 CB 1.477 30 residues pruned to eliminate duplicates Z: 66 49.606 2.223 0.749 0.563 0.938 0.508 CB 1.587 66 residues pruned to eliminate duplicates Z: 35 18.447 1.993 0.730 0.306 0.882 0.324 CB 1.289 35 residues pruned to eliminate duplicates Z: 78 44.398 2.141 0.631 0.575 0.935 0.649 CB 1.442 78 residues pruned to eliminate duplicates Z: 24 21.818 2.124 0.803 0.435 0.913 0.696 CB 1.392 24 residues pruned to eliminate duplicates Z: 31 26.208 2.134 0.720 0.447 0.967 0.567 CB 1.425 31 residues pruned to eliminate duplicates Z: 24 17.835 2.103 0.729 0.377 0.870 0.652 CB 1.342 24 residues pruned to eliminate duplicates Z: 19 14.478 2.047 0.645 0.331 0.944 0.500 CB 1.292 19 residues pruned to eliminate duplicates Z: 21 21.118 2.066 0.834 0.386 0.900 0.550 CB 1.563 21 residues pruned to eliminate duplicates Z: 31 26.399 2.176 0.777 0.409 0.900 0.567 CB 1.523 31 residues pruned to eliminate duplicates Z: 46 28.489 2.074 0.653 0.456 0.956 0.489 CB 1.356 46 residues pruned to eliminate duplicates Z: 31 27.712 2.164 0.783 0.399 0.933 0.533 CB 1.563 31 residues pruned to eliminate duplicates Z: 22 18.805 2.105 0.505 0.474 0.905 0.524 CB 1.470 22 residues pruned to eliminate duplicates Z: 32 22.264 2.074 0.771 0.387 0.871 0.516 CB 1.409 32 residues pruned to eliminate duplicates Z: 23 19.060 2.036 0.797 0.420 0.864 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 21 22.960 2.058 0.841 0.530 0.900 0.500 CB 1.462 21 residues pruned to eliminate duplicates Z: 29 24.883 2.162 0.818 0.421 0.929 0.536 CB 1.400 29 residues pruned to eliminate duplicates Z: 17 18.325 1.994 0.883 0.502 0.812 0.562 CA 1.500 17 residues pruned to eliminate duplicates Z: 26 19.468 2.011 0.747 0.396 0.920 0.480 CB 1.345 26 residues pruned to eliminate duplicates Z: 7 4.833 1.790 0.555 0.220 0.833 0.167 CB 1.182 3 residues pruned to eliminate duplicates Z: 6 6.807 1.901 0.353 0.522 1.000 0.600 CA 1.158 6 residues pruned to eliminate duplicates Z: 19 14.503 1.807 0.402 0.492 0.889 0.444 N 1.531 19 residues pruned to eliminate duplicates Z: 34 19.023 1.947 0.335 0.441 0.879 0.606 CA 1.541 34 residues pruned to eliminate duplicates Z: 15 16.175 1.980 0.348 0.551 1.000 0.571 N 1.541 15 residues pruned to eliminate duplicates Z: 28 11.349 1.807 0.428 0.305 0.852 0.407 CB 1.235 28 residues pruned to eliminate duplicates Z: 18 10.851 1.823 0.253 0.502 0.824 0.471 CA 1.397 18 residues pruned to eliminate duplicates Z: 19 13.360 1.856 0.318 0.494 0.889 0.389 CA 1.457 19 residues pruned to eliminate duplicates Z: 31 19.992 1.973 0.398 0.416 0.933 0.533 CA 1.548 31 residues pruned to eliminate duplicates Z: 16 14.790 1.904 0.357 0.529 1.000 0.600 N 1.437 15 residues pruned to eliminate duplicates Z: 6 4.441 1.615 0.073 0.446 1.000 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 22 15.029 1.916 0.559 0.438 0.810 0.476 CA 1.446 22 residues pruned to eliminate duplicates Z: 34 19.323 1.924 0.368 0.452 0.909 0.545 CB 1.477 34 residues pruned to eliminate duplicates Z: 6 2.017 1.439 0.062 0.346 0.800 0.400 N 0.872 6 residues pruned to eliminate duplicates Z: 35 20.558 1.904 0.486 0.488 0.882 0.618 CA 1.429 36 residues pruned to eliminate duplicates Z: 6 3.067 1.643 0.293 0.288 0.600 0.600 C 1.364 6 residues pruned to eliminate duplicates Z: 17 9.337 1.907 0.242 0.373 0.875 0.500 CA 1.290 17 residues pruned to eliminate duplicates Z: 13 8.365 1.693 0.360 0.422 0.917 0.667 CA 1.241 13 residues pruned to eliminate duplicates Z: 17 12.970 1.984 0.238 0.481 0.938 0.750 CA 1.436 17 residues pruned to eliminate duplicates Z: 20 8.804 1.749 0.330 0.328 0.789 0.421 CA 1.329 15 residues pruned to eliminate duplicates Z: 31 13.760 1.925 0.218 0.399 0.867 0.500 CA 1.375 31 residues pruned to eliminate duplicates Z: 65 34.947 2.091 0.376 0.560 0.922 0.641 CA 1.553 65 residues pruned to eliminate duplicates Z: 41 28.911 2.070 0.404 0.662 0.950 0.775 CA 1.424 41 residues pruned to eliminate duplicates Z: 45 30.057 2.036 0.456 0.633 0.909 0.682 CA 1.484 45 residues pruned to eliminate duplicates Z: 14 8.801 2.055 0.358 0.330 0.769 0.692 CA 1.369 14 residues pruned to eliminate duplicates Z: 27 21.887 2.071 0.370 0.674 0.923 0.500 CA 1.396 27 residues pruned to eliminate duplicates Z: 45 29.274 2.013 0.476 0.635 0.932 0.659 CA 1.404 45 residues pruned to eliminate duplicates Z: 67 40.494 2.108 0.526 0.596 0.939 0.621 CA 1.505 67 residues pruned to eliminate duplicates Z: 48 35.458 2.091 0.569 0.676 0.936 0.660 CA 1.432 48 residues pruned to eliminate duplicates Z: 44 35.465 2.083 0.511 0.669 0.953 0.628 CA 1.541 44 residues pruned to eliminate duplicates Z: 24 24.439 2.107 0.373 0.756 1.000 0.739 CA 1.402 24 residues pruned to eliminate duplicates Z: 69 38.607 2.071 0.575 0.565 0.926 0.515 CA 1.455 69 residues pruned to eliminate duplicates Z: 49 31.240 2.094 0.430 0.644 0.938 0.646 CA 1.403 49 residues pruned to eliminate duplicates Z: 43 32.427 2.088 0.548 0.645 0.905 0.595 CA 1.495 43 residues pruned to eliminate duplicates Z: 42 33.028 2.107 0.480 0.689 0.976 0.610 CA 1.427 42 residues pruned to eliminate duplicates Z: 25 28.923 2.115 0.655 0.744 0.958 0.750 CA 1.415 25 residues pruned to eliminate duplicates Z: 44 22.396 1.949 0.453 0.497 0.930 0.535 CA 1.300 44 residues pruned to eliminate duplicates Z: 19 25.940 2.057 0.474 0.913 0.944 0.611 CA 1.511 19 residues pruned to eliminate duplicates Z: 69 40.086 2.099 0.530 0.570 0.956 0.676 CA 1.479 77 residues pruned to eliminate duplicates Z: 16 23.105 1.980 0.591 0.874 0.933 0.800 CA 1.476 16 residues pruned to eliminate duplicates Z: 43 35.267 2.071 0.559 0.668 0.952 0.595 CA 1.515 43 residues pruned to eliminate duplicates Z: 71 37.875 2.065 0.492 0.557 0.929 0.543 CA 1.497 71 residues pruned to eliminate duplicates Z: 67 39.136 2.085 0.576 0.572 0.909 0.545 CA 1.503 67 residues pruned to eliminate duplicates Z: 47 35.581 2.040 0.635 0.634 0.957 0.609 CA 1.450 49 residues pruned to eliminate duplicates Z: 18 26.086 2.091 0.778 0.868 0.882 0.647 CA 1.410 18 residues pruned to eliminate duplicates Z: 50 38.984 2.093 0.614 0.644 0.959 0.551 CA 1.503 51 residues pruned to eliminate duplicates Z: 18 26.940 2.088 0.637 0.875 0.941 0.765 CA 1.477 18 residues pruned to eliminate duplicates Z: 25 28.392 2.086 0.565 0.742 0.958 0.500 CA 1.491 25 residues pruned to eliminate duplicates Z: 71 41.080 2.057 0.627 0.565 0.943 0.586 CA 1.461 71 residues pruned to eliminate duplicates Z: 25 22.449 2.088 0.497 0.547 0.917 0.500 CA 1.527 25 residues pruned to eliminate duplicates Z: 35 28.529 2.032 0.624 0.628 0.941 0.559 CA 1.396 35 residues pruned to eliminate duplicates Z: 39 29.420 2.143 0.471 0.503 0.947 0.579 CA 1.594 39 residues pruned to eliminate duplicates Z: 40 28.796 2.108 0.574 0.449 0.923 0.564 CA 1.587 40 residues pruned to eliminate duplicates Z: 39 26.320 2.119 0.452 0.478 0.947 0.579 CB 1.499 39 residues pruned to eliminate duplicates Z: 39 28.730 2.148 0.497 0.490 0.947 0.526 CA 1.544 39 residues pruned to eliminate duplicates Z: 20 23.678 2.111 0.573 0.657 1.000 0.632 CB 1.414 20 residues pruned to eliminate duplicates Z: 19 15.108 1.866 0.559 0.475 0.944 0.556 CB 1.329 19 residues pruned to eliminate duplicates Z: 42 36.952 2.102 0.580 0.702 0.976 0.512 CA 1.481 42 residues pruned to eliminate duplicates Z: 66 43.325 2.122 0.576 0.600 0.969 0.662 CA 1.507 66 residues pruned to eliminate duplicates Z: 12 20.786 1.931 0.703 0.888 1.000 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 45 29.109 2.106 0.476 0.504 0.932 0.614 CB 1.509 45 residues pruned to eliminate duplicates Z: 57 36.550 2.066 0.599 0.552 0.929 0.518 CA 1.514 57 residues pruned to eliminate duplicates Z: 25 16.453 2.095 0.461 0.325 0.917 0.583 CA 1.451 25 residues pruned to eliminate duplicates Z: 32 23.789 2.129 0.425 0.495 0.903 0.613 CA 1.567 32 residues pruned to eliminate duplicates Z: 26 17.678 2.114 0.390 0.364 0.880 0.480 CA 1.582 26 residues pruned to eliminate duplicates Z: 36 24.504 2.130 0.452 0.473 0.886 0.429 CA 1.554 36 residues pruned to eliminate duplicates Z: 73 38.423 2.078 0.460 0.587 0.944 0.569 CA 1.453 73 residues pruned to eliminate duplicates Z: 25 20.296 2.153 0.476 0.382 0.917 0.542 CA 1.612 25 residues pruned to eliminate duplicates Z: 30 21.654 2.120 0.559 0.404 0.897 0.517 CA 1.501 30 residues pruned to eliminate duplicates Z: 73 39.216 2.099 0.497 0.548 0.931 0.542 CA 1.507 72 residues pruned to eliminate duplicates Z: 7 5.761 1.633 0.256 0.376 1.000 0.167 CA 1.308 7 residues pruned to eliminate duplicates Z: 67 37.768 2.111 0.430 0.553 0.955 0.500 CA 1.533 67 residues pruned to eliminate duplicates Z: 65 41.235 2.113 0.598 0.574 0.953 0.531 CA 1.491 66 residues pruned to eliminate duplicates Z: 6 2.769 1.525 0.443 0.267 0.800 0.400 N 0.917 6 residues pruned to eliminate duplicates Z: 19 11.929 2.099 0.422 0.323 0.722 0.444 CA 1.585 19 residues pruned to eliminate duplicates Z: 34 17.424 2.001 0.565 0.349 0.788 0.394 CA 1.449 34 residues pruned to eliminate duplicates Z: 25 16.333 2.078 0.639 0.388 0.750 0.583 CA 1.471 25 residues pruned to eliminate duplicates Z: 31 21.638 2.100 0.570 0.399 0.867 0.500 CA 1.538 31 residues pruned to eliminate duplicates Z: 25 14.311 2.058 0.473 0.400 0.708 0.333 CB 1.512 25 residues pruned to eliminate duplicates Z: 65 42.408 2.106 0.617 0.587 0.953 0.609 CA 1.503 65 residues pruned to eliminate duplicates Z: 17 14.252 2.122 0.370 0.381 0.812 0.625 CA 1.713 17 residues pruned to eliminate duplicates Z: 18 18.299 2.114 0.442 0.439 0.941 0.647 CA 1.647 18 residues pruned to eliminate duplicates Z: 46 26.865 2.075 0.517 0.495 0.844 0.489 CA 1.514 46 residues pruned to eliminate duplicates Z: 20 18.377 2.116 0.474 0.554 0.895 0.737 CA 1.434 18 residues pruned to eliminate duplicates Z: 10 6.461 1.565 0.373 0.748 1.000 0.444 CA 0.803 10 residues pruned to eliminate duplicates Z: 7 2.185 1.642 0.705 0.233 0.667 0.333 CB 0.652 5 residues pruned to eliminate duplicates Z: 6 4.705 1.983 0.655 0.435 0.600 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 33 18.496 2.067 0.390 0.438 0.875 0.562 CA 1.387 34 residues pruned to eliminate duplicates Z: 7 4.714 1.675 0.419 0.513 1.000 0.833 CA 0.799 7 residues pruned to eliminate duplicates Z: 10 10.295 2.099 0.614 0.333 1.000 0.556 CA 1.216 12 residues pruned to eliminate duplicates Z: 6 5.504 1.544 0.611 0.450 1.000 0.200 CB 1.042 5 residues pruned to eliminate duplicates Z: 13 9.990 1.745 0.126 0.866 1.000 0.917 CB 1.075 13 residues pruned to eliminate duplicates Z: 35 20.193 1.933 0.612 0.518 0.824 0.618 CA 1.325 35 residues pruned to eliminate duplicates Z: 11 13.484 1.755 0.462 0.815 1.000 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 51 35.635 2.012 0.603 0.622 0.920 0.660 CB 1.514 51 residues pruned to eliminate duplicates Z: 19 14.064 1.843 0.455 0.646 0.833 0.611 CB 1.294 19 residues pruned to eliminate duplicates Z: 57 31.726 1.977 0.543 0.543 0.946 0.571 CB 1.409 57 residues pruned to eliminate duplicates Z: 53 36.697 1.988 0.778 0.651 0.962 0.635 CB 1.301 53 residues pruned to eliminate duplicates Z: 55 29.915 1.977 0.600 0.535 0.926 0.611 CB 1.344 55 residues pruned to eliminate duplicates Z: 18 19.065 1.888 0.670 0.716 1.000 0.529 CB 1.206 18 residues pruned to eliminate duplicates Z: 58 35.954 1.991 0.557 0.603 0.982 0.649 CB 1.418 58 residues pruned to eliminate duplicates Z: 16 20.950 1.982 0.903 0.738 1.000 0.467 CA 1.159 16 residues pruned to eliminate duplicates Z: 54 34.834 2.047 0.609 0.557 0.962 0.660 CA 1.429 41 residues pruned to eliminate duplicates Z: 15 14.236 1.904 0.581 0.670 0.857 0.429 CA 1.261 15 residues pruned to eliminate duplicates Z: 63 35.073 1.994 0.501 0.603 0.935 0.677 CA 1.442 63 residues pruned to eliminate duplicates Z: 28 17.507 1.858 0.607 0.483 0.852 0.481 CA 1.346 19 residues pruned to eliminate duplicates Z: 6 7.332 1.609 1.132 0.495 1.000 1.000 CB 0.960 Z: 64 40.026 2.010 0.754 0.533 0.952 0.667 CA 1.455 60 residues pruned to eliminate duplicates Z: 6 2.086 1.700 0.054 0.128 0.800 0.400 CA 1.036 6 residues pruned to eliminate duplicates Z: 46 30.059 2.016 0.516 0.604 0.933 0.733 CB 1.423 46 residues pruned to eliminate duplicates Z: 54 30.580 2.016 0.554 0.564 0.943 0.736 CA 1.336 54 residues pruned to eliminate duplicates Z: 10 3.879 1.928 0.102 0.366 0.556 0.556 CA 1.264 Z: 6 2.899 1.569 0.168 0.359 1.000 0.400 CB 0.824 6 residues pruned to eliminate duplicates Z: 36 26.636 2.080 0.584 0.502 0.914 0.657 CA 1.491 36 residues pruned to eliminate duplicates Z: 61 40.127 2.037 0.707 0.608 0.933 0.683 CB 1.440 61 residues pruned to eliminate duplicates Z: 51 31.106 2.036 0.529 0.548 0.900 0.660 CA 1.498 51 residues pruned to eliminate duplicates Z: 37 26.112 2.002 0.641 0.507 0.917 0.667 CA 1.435 37 residues pruned to eliminate duplicates Z: 34 28.228 1.995 0.485 0.673 1.000 0.818 CB 1.414 34 residues pruned to eliminate duplicates Z: 35 29.715 1.996 0.571 0.690 0.971 0.706 CB 1.407 35 residues pruned to eliminate duplicates Z: 27 28.011 2.027 0.659 0.704 0.962 0.808 CB 1.410 27 residues pruned to eliminate duplicates Z: 24 22.393 1.993 0.605 0.590 0.913 0.609 CB 1.466 24 residues pruned to eliminate duplicates Z: 22 23.946 2.108 0.550 0.661 0.952 0.905 CA 1.447 22 residues pruned to eliminate duplicates Z: 34 28.420 2.064 0.469 0.647 0.970 0.758 CB 1.466 34 residues pruned to eliminate duplicates Z: 40 29.477 2.009 0.669 0.573 0.923 0.538 CB 1.421 40 residues pruned to eliminate duplicates Z: 24 24.812 2.084 0.839 0.574 0.870 0.652 CA 1.445 24 residues pruned to eliminate duplicates Z: 46 32.937 2.063 0.578 0.608 0.956 0.756 CA 1.425 46 residues pruned to eliminate duplicates Z: 32 30.070 2.024 0.586 0.709 0.968 0.806 CB 1.437 32 residues pruned to eliminate duplicates Z: 48 30.314 1.930 0.578 0.603 0.957 0.660 CA 1.376 29 residues pruned to eliminate duplicates Z: 10 23.954 2.246 0.674 0.883 1.000 0.778 CB 1.535 10 residues pruned to eliminate duplicates Z: 47 26.704 1.917 0.592 0.593 0.891 0.609 CB 1.325 47 residues pruned to eliminate duplicates Z: 34 27.390 2.052 0.709 0.625 0.848 0.515 CB 1.425 34 residues pruned to eliminate duplicates Z: 32 26.406 2.004 0.591 0.713 1.000 0.677 CB 1.227 32 residues pruned to eliminate duplicates Z: 50 33.271 2.073 0.720 0.514 0.918 0.531 CB 1.432 50 residues pruned to eliminate duplicates Z: 30 30.125 2.102 0.679 0.653 0.931 0.724 CA 1.477 30 residues pruned to eliminate duplicates Z: 31 29.808 2.087 0.757 0.634 0.933 0.533 CB 1.403 31 residues pruned to eliminate duplicates Z: 40 28.482 1.955 0.643 0.623 0.923 0.590 CB 1.370 40 residues pruned to eliminate duplicates Z: 61 34.964 2.005 0.686 0.606 0.917 0.600 CB 1.317 61 residues pruned to eliminate duplicates Z: 23 28.400 2.027 0.853 0.850 0.864 0.727 CB 1.383 23 residues pruned to eliminate duplicates Z: 36 28.277 2.027 0.652 0.633 0.971 0.714 CB 1.297 36 residues pruned to eliminate duplicates Z: 52 37.236 1.998 0.643 0.682 0.961 0.725 CB 1.399 52 residues pruned to eliminate duplicates Z: 63 37.224 2.004 0.732 0.599 0.919 0.581 CB 1.348 14 residues pruned to eliminate duplicates Z: 22 30.348 1.994 0.856 0.873 1.000 0.714 CB 1.303 22 residues pruned to eliminate duplicates Z: 54 33.500 1.982 0.700 0.518 0.925 0.528 CB 1.451 54 residues pruned to eliminate duplicates Z: 21 8.216 1.825 0.262 0.260 0.800 0.450 CB 1.312 21 residues pruned to eliminate duplicates Z: 28 11.624 1.897 0.246 0.359 0.889 0.444 CB 1.239 28 residues pruned to eliminate duplicates Z: 28 11.402 1.906 0.079 0.353 0.926 0.370 CA 1.350 23 residues pruned to eliminate duplicates Z: 6 4.132 1.518 0.475 0.445 1.000 0.400 CA 0.873 Z: 7 4.456 1.775 0.217 0.424 0.667 0.667 CA 1.367 12 residues pruned to eliminate duplicates Z: 6 8.649 1.987 0.276 0.557 1.000 0.600 CB 1.443 6 residues pruned to eliminate duplicates Z: 27 12.362 1.953 0.217 0.380 0.885 0.538 CB 1.311 27 residues pruned to eliminate duplicates Z: 29 13.690 1.934 0.229 0.436 0.929 0.607 CB 1.252 29 residues pruned to eliminate duplicates Z: 6 3.598 1.799 0.273 0.280 0.800 0.200 CA 1.126 6 residues pruned to eliminate duplicates Z: 27 14.413 1.905 0.388 0.404 0.885 0.577 CB 1.337 27 residues pruned to eliminate duplicates Z: 23 11.936 1.904 0.350 0.380 0.909 0.545 CA 1.238 23 residues pruned to eliminate duplicates Z: 23 12.071 1.951 0.233 0.379 0.909 0.591 CB 1.339 23 residues pruned to eliminate duplicates Z: 27 12.853 1.928 0.180 0.373 0.962 0.500 CB 1.320 27 residues pruned to eliminate duplicates Z: 22 13.180 1.949 0.339 0.430 0.905 0.524 CB 1.310 22 residues pruned to eliminate duplicates Z: 17 9.816 1.936 0.231 0.415 0.875 0.500 CB 1.286 17 residues pruned to eliminate duplicates Z: 14 9.145 1.996 0.352 0.383 0.769 0.385 CA 1.384 14 residues pruned to eliminate duplicates Z: 42 25.504 2.063 0.432 0.452 0.927 0.683 CB 1.528 42 residues pruned to eliminate duplicates Z: 27 16.104 1.993 0.489 0.430 0.885 0.615 CA 1.293 27 residues pruned to eliminate duplicates Z: 25 18.510 2.027 0.309 0.511 1.000 0.625 CA 1.407 25 residues pruned to eliminate duplicates Z: 41 20.540 1.988 0.418 0.452 0.900 0.525 CB 1.345 41 residues pruned to eliminate duplicates Z: 42 19.902 1.993 0.336 0.451 0.902 0.512 CB 1.360 42 residues pruned to eliminate duplicates Z: 14 13.507 2.044 0.422 0.470 0.923 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 42 19.148 1.989 0.355 0.367 0.854 0.512 CA 1.499 42 residues pruned to eliminate duplicates Z: 41 19.018 1.959 0.417 0.397 0.900 0.500 CB 1.341 41 residues pruned to eliminate duplicates Z: 53 24.208 1.949 0.479 0.431 0.885 0.558 CA 1.414 53 residues pruned to eliminate duplicates Z: 50 24.264 2.002 0.474 0.461 0.878 0.592 CA 1.393 50 residues pruned to eliminate duplicates Z: 24 17.999 2.038 0.386 0.510 0.957 0.565 CA 1.375 25 residues pruned to eliminate duplicates Z: 6 3.312 1.404 0.373 0.450 1.000 0.200 CA 0.809 6 residues pruned to eliminate duplicates Z: 36 20.843 1.998 0.462 0.418 0.914 0.457 CB 1.437 33 residues pruned to eliminate duplicates Z: 6 5.214 1.558 0.398 0.430 1.000 0.800 CB 1.151 6 residues pruned to eliminate duplicates Z: 37 17.928 1.925 0.461 0.398 0.889 0.611 CA 1.331 37 residues pruned to eliminate duplicates Z: 32 16.324 1.925 0.491 0.433 0.839 0.581 CB 1.306 28 residues pruned to eliminate duplicates Z: 9 5.475 1.892 -0.084 0.499 0.750 0.500 CB 1.490 9 residues pruned to eliminate duplicates Z: 27 10.606 1.876 0.332 0.263 0.808 0.269 CB 1.351 27 residues pruned to eliminate duplicates Z: 27 14.575 1.934 0.363 0.418 0.846 0.423 CA 1.395 27 residues pruned to eliminate duplicates Z: 44 23.507 2.014 0.453 0.430 0.907 0.512 CB 1.453 44 residues pruned to eliminate duplicates Z: 20 11.638 1.987 0.350 0.277 0.895 0.421 CB 1.432 20 residues pruned to eliminate duplicates Z: 23 9.850 1.901 0.401 0.294 0.818 0.409 CB 1.215 23 residues pruned to eliminate duplicates Z: 26 15.363 1.948 0.409 0.389 0.920 0.520 CB 1.368 26 residues pruned to eliminate duplicates Z: 29 12.248 1.925 0.411 0.349 0.821 0.464 CB 1.222 29 residues pruned to eliminate duplicates Z: 52 25.266 2.015 0.521 0.387 0.882 0.549 CB 1.475 58 residues pruned to eliminate duplicates Z: 6 6.073 1.645 0.492 0.364 1.000 0.400 CA 1.282 6 residues pruned to eliminate duplicates Z: 24 11.697 1.879 0.464 0.370 0.870 0.391 CB 1.172 24 residues pruned to eliminate duplicates Z: 9 5.017 1.937 0.271 0.182 0.750 0.375 CB 1.409 9 residues pruned to eliminate duplicates Z: 9 4.609 1.881 0.256 0.187 0.875 0.375 CB 1.147 9 residues pruned to eliminate duplicates Z: 62 25.138 1.962 0.414 0.394 0.918 0.557 CB 1.413 61 residues pruned to eliminate duplicates Z: 6 4.510 1.925 0.373 0.332 1.000 0.600 CB 0.917 6 residues pruned to eliminate duplicates Z: 16 11.359 2.042 0.431 0.385 0.867 0.533 CA 1.309 16 residues pruned to eliminate duplicates Z: 15 10.231 1.896 0.157 0.450 1.000 0.571 N 1.312 15 residues pruned to eliminate duplicates Z: 45 21.685 1.970 0.489 0.366 0.909 0.455 CA 1.415 31 residues pruned to eliminate duplicates Z: 6 5.082 1.754 0.287 0.473 0.800 0.600 CA 1.294 6 residues pruned to eliminate duplicates Z: 17 10.315 1.854 0.619 0.347 0.812 0.438 CB 1.249 17 residues pruned to eliminate duplicates Z: 36 15.138 1.968 0.501 0.322 0.743 0.371 CA 1.419 36 residues pruned to eliminate duplicates Z: 14 9.610 2.040 0.526 0.376 0.769 0.385 CB 1.271 14 residues pruned to eliminate duplicates Z: 27 17.133 2.041 0.500 0.403 0.846 0.462 CB 1.436 27 residues pruned to eliminate duplicates Z: 18 8.941 1.915 0.275 0.349 0.706 0.294 CB 1.481 18 residues pruned to eliminate duplicates Z: 22 9.712 2.002 0.390 0.273 0.714 0.429 CB 1.379 22 residues pruned to eliminate duplicates Z: 20 12.526 2.103 0.358 0.303 0.789 0.368 CB 1.587 20 residues pruned to eliminate duplicates Z: 10 3.769 1.958 0.264 0.240 0.444 0.222 CB 1.542 10 residues pruned to eliminate duplicates Z: 7 5.892 2.054 0.244 0.295 0.667 0.333 CA 1.776 7 residues pruned to eliminate duplicates Z: 25 13.003 1.976 0.512 0.288 0.750 0.417 CB 1.503 25 residues pruned to eliminate duplicates Z: 34 14.765 2.041 0.398 0.304 0.758 0.333 CB 1.478 34 residues pruned to eliminate duplicates Z: 9 11.706 2.132 0.421 0.416 0.875 0.500 N 1.703 9 residues pruned to eliminate duplicates Z: 14 7.993 2.025 0.242 0.271 0.692 0.462 N 1.651 14 residues pruned to eliminate duplicates Z: 36 25.887 2.020 0.402 0.577 0.914 0.571 CB 1.570 36 residues pruned to eliminate duplicates Z: 14 6.494 1.888 0.131 0.274 0.692 0.308 N 1.576 14 residues pruned to eliminate duplicates Z: 25 19.886 1.997 0.292 0.600 0.917 0.750 CA 1.561 25 residues pruned to eliminate duplicates Z: 49 23.369 1.979 0.429 0.470 0.854 0.521 CB 1.440 66 residues pruned to eliminate duplicates Z: 18 19.398 2.097 0.277 0.844 1.000 0.647 CB 1.307 18 residues pruned to eliminate duplicates Z: 25 15.031 1.940 0.458 0.580 0.875 0.500 CB 1.148 25 residues pruned to eliminate duplicates Z: 23 20.654 1.966 0.538 0.647 0.955 0.682 CB 1.330 23 residues pruned to eliminate duplicates Z: 36 23.778 1.928 0.487 0.527 0.914 0.514 CB 1.493 36 residues pruned to eliminate duplicates Z: 49 28.145 2.072 0.583 0.501 0.896 0.562 CB 1.380 49 residues pruned to eliminate duplicates Z: 24 20.781 2.008 0.604 0.605 0.913 0.652 CB 1.334 24 residues pruned to eliminate duplicates Z: 53 33.355 2.068 0.523 0.523 0.923 0.673 CB 1.556 53 residues pruned to eliminate duplicates Z: 18 20.655 2.174 0.522 0.645 0.824 0.588 CB 1.606 18 residues pruned to eliminate duplicates Z: 19 19.574 2.118 0.343 0.662 0.944 0.556 CB 1.478 19 residues pruned to eliminate duplicates Z: 36 23.980 1.985 0.544 0.561 0.829 0.543 CB 1.504 36 residues pruned to eliminate duplicates Z: 28 20.889 1.983 0.451 0.613 0.852 0.593 CB 1.474 28 residues pruned to eliminate duplicates Z: 28 21.607 1.961 0.582 0.624 0.926 0.481 CB 1.288 28 residues pruned to eliminate duplicates Z: 19 16.226 2.048 0.476 0.614 0.889 0.444 CB 1.278 19 residues pruned to eliminate duplicates Z: 62 28.125 1.993 0.564 0.471 0.836 0.459 CB 1.424 62 residues pruned to eliminate duplicates Z: 54 30.524 2.050 0.516 0.489 0.887 0.547 CB 1.539 54 residues pruned to eliminate duplicates Z: 25 16.044 2.048 0.432 0.576 0.792 0.417 CB 1.311 25 residues pruned to eliminate duplicates Z: 32 26.474 1.989 0.649 0.577 0.903 0.484 CB 1.491 32 residues pruned to eliminate duplicates Z: 27 18.730 2.009 0.364 0.613 0.846 0.538 CB 1.423 27 residues pruned to eliminate duplicates Z: 41 24.511 1.954 0.538 0.517 0.850 0.450 CB 1.492 41 residues pruned to eliminate duplicates Z: 7 4.905 1.835 0.462 0.716 0.667 0.333 CB 0.921 7 residues pruned to eliminate duplicates Z: 55 32.814 2.121 0.628 0.471 0.833 0.519 CB 1.599 55 residues pruned to eliminate duplicates Z: 29 19.123 2.104 0.629 0.371 0.821 0.464 CB 1.474 29 residues pruned to eliminate duplicates Z: 29 23.417 2.127 0.735 0.354 0.893 0.393 CB 1.574 29 residues pruned to eliminate duplicates Z: 40 26.268 1.949 0.519 0.555 0.949 0.538 CB 1.418 40 residues pruned to eliminate duplicates Z: 56 25.623 2.067 0.428 0.394 0.855 0.509 CB 1.531 56 residues pruned to eliminate duplicates Z: 57 35.011 2.103 0.659 0.448 0.893 0.518 CB 1.585 57 residues pruned to eliminate duplicates Z: 28 18.305 2.043 0.495 0.413 0.926 0.444 CB 1.364 28 residues pruned to eliminate duplicates Z: 61 34.346 2.070 0.578 0.484 0.883 0.517 CB 1.562 61 residues pruned to eliminate duplicates Z: 28 17.844 2.021 0.528 0.405 0.889 0.519 CB 1.382 28 residues pruned to eliminate duplicates Z: 47 29.775 2.086 0.587 0.469 0.957 0.478 CB 1.431 47 residues pruned to eliminate duplicates Z: 25 19.572 2.089 0.686 0.413 0.875 0.542 CB 1.420 25 residues pruned to eliminate duplicates Z: 53 31.544 2.088 0.619 0.459 0.904 0.519 CB 1.493 53 residues pruned to eliminate duplicates Z: 49 23.690 2.082 0.514 0.443 0.854 0.479 CB 1.347 49 residues pruned to eliminate duplicates Z: 21 18.755 2.212 0.630 0.389 0.900 0.550 CB 1.454 21 residues pruned to eliminate duplicates Z: 13 13.002 2.238 0.397 0.391 0.833 0.583 CB 1.617 13 residues pruned to eliminate duplicates Z: 22 19.695 2.197 0.691 0.344 0.857 0.476 CB 1.599 22 residues pruned to eliminate duplicates Z: 85 33.124 2.068 0.461 0.433 0.821 0.464 CB 1.561 85 residues pruned to eliminate duplicates Z: 25 19.973 2.111 0.629 0.311 0.917 0.500 CB 1.595 25 residues pruned to eliminate duplicates Z: 29 18.809 2.099 0.647 0.326 0.821 0.464 CB 1.516 29 residues pruned to eliminate duplicates Z: 28 18.116 2.129 0.665 0.293 0.815 0.519 CB 1.523 28 residues pruned to eliminate duplicates Z: 30 17.724 2.055 0.609 0.300 0.828 0.379 CA 1.503 30 residues pruned to eliminate duplicates Z: 25 16.137 2.122 0.530 0.265 0.833 0.458 CB 1.593 25 residues pruned to eliminate duplicates Z: 7 11.703 1.813 0.664 0.686 1.000 1.000 C 1.335 7 residues pruned to eliminate duplicates Z: 11 6.847 1.818 0.173 0.490 0.800 0.500 CB 1.281 8 residues pruned to eliminate duplicates Z: 6 2.106 1.315 0.169 0.275 1.000 0.800 CB 0.791 6 residues pruned to eliminate duplicates Z: 13 5.099 1.757 0.425 0.407 0.667 0.417 CB 0.973 13 residues pruned to eliminate duplicates Z: 19 6.917 1.668 0.315 0.342 0.833 0.278 CB 1.060 15 residues pruned to eliminate duplicates Z: 6 2.034 1.565 0.042 0.287 0.600 0.200 CB 1.181 6 residues pruned to eliminate duplicates Z: 18 8.342 1.790 0.461 0.404 0.824 0.412 CB 1.039 18 residues pruned to eliminate duplicates Z: 6 4.564 1.606 0.789 0.291 0.800 0.400 CB 1.123 6 residues pruned to eliminate duplicates Z: 13 7.620 1.760 0.640 0.363 0.833 0.500 CB 1.059 13 residues pruned to eliminate duplicates Z: 13 6.772 1.727 0.373 0.464 0.917 0.417 CB 0.933 12 residues pruned to eliminate duplicates Z: 6 2.593 1.765 0.728 0.481 0.600 0.400 CB 0.646 6 residues pruned to eliminate duplicates Z: 6 4.313 1.997 0.039 0.437 0.800 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 7 2.472 1.668 -0.034 0.338 0.833 0.333 CA 0.897 7 residues pruned to eliminate duplicates Z: 6 4.118 1.917 0.170 0.574 0.800 0.400 CA 0.957 6 residues pruned to eliminate duplicates Z: 39 19.021 1.940 0.369 0.430 0.947 0.500 CA 1.318 34 residues pruned to eliminate duplicates Z: 7 3.970 1.785 0.291 0.466 0.833 0.167 CA 0.874 12 residues pruned to eliminate duplicates Z: 9 4.896 1.710 0.469 0.499 0.625 0.250 CA 1.104 9 residues pruned to eliminate duplicates Z: 32 16.906 1.929 0.373 0.418 0.903 0.581 CB 1.383 32 residues pruned to eliminate duplicates Z: 61 24.986 1.945 0.361 0.458 0.917 0.533 CA 1.388 61 residues pruned to eliminate duplicates Z: 60 24.076 1.948 0.426 0.430 0.932 0.492 CB 1.301 60 residues pruned to eliminate duplicates Z: 54 23.668 1.991 0.346 0.468 0.925 0.642 CB 1.355 54 residues pruned to eliminate duplicates Z: 37 18.023 1.925 0.469 0.407 0.889 0.472 CA 1.317 37 residues pruned to eliminate duplicates Z: 51 25.634 2.016 0.335 0.483 0.940 0.560 CB 1.457 51 residues pruned to eliminate duplicates Z: 54 25.533 1.965 0.350 0.469 0.943 0.566 CB 1.447 54 residues pruned to eliminate duplicates Z: 54 24.751 1.983 0.370 0.455 0.925 0.566 CB 1.418 54 residues pruned to eliminate duplicates Z: 59 27.468 1.998 0.383 0.474 0.948 0.552 CA 1.415 59 residues pruned to eliminate duplicates Z: 54 24.700 1.999 0.355 0.451 0.943 0.547 CB 1.396 54 residues pruned to eliminate duplicates Z: 30 16.240 1.982 0.322 0.350 0.931 0.517 CA 1.455 30 residues pruned to eliminate duplicates Z: 60 23.469 1.957 0.346 0.450 0.898 0.525 CB 1.359 60 residues pruned to eliminate duplicates Z: 26 18.301 1.921 0.442 0.470 0.960 0.640 CB 1.419 26 residues pruned to eliminate duplicates Z: 59 25.317 1.974 0.346 0.460 0.931 0.500 CB 1.400 59 residues pruned to eliminate duplicates Z: 56 23.513 1.985 0.326 0.443 0.927 0.509 CB 1.378 56 residues pruned to eliminate duplicates Z: 59 23.747 1.959 0.362 0.412 0.931 0.517 CB 1.377 59 residues pruned to eliminate duplicates Z: 59 24.610 1.999 0.393 0.443 0.897 0.534 CB 1.373 59 residues pruned to eliminate duplicates Z: 57 25.166 1.979 0.402 0.441 0.946 0.607 CB 1.361 57 residues pruned to eliminate duplicates Z: 56 26.350 1.982 0.406 0.451 0.982 0.564 CA 1.366 56 residues pruned to eliminate duplicates Z: 29 19.000 1.976 0.348 0.463 0.964 0.643 CB 1.452 29 residues pruned to eliminate duplicates Z: 55 24.010 1.985 0.358 0.445 0.926 0.519 CA 1.385 55 residues pruned to eliminate duplicates Z: 48 21.270 1.918 0.394 0.457 0.936 0.574 CB 1.296 48 residues pruned to eliminate duplicates Z: 37 14.767 1.900 0.342 0.318 0.889 0.417 CA 1.327 37 residues pruned to eliminate duplicates Z: 38 15.766 1.925 0.340 0.355 0.892 0.541 CA 1.317 38 residues pruned to eliminate duplicates Z: 30 16.895 1.962 0.356 0.379 0.966 0.517 CA 1.389 30 residues pruned to eliminate duplicates Z: 49 22.796 1.996 0.321 0.414 0.979 0.604 CB 1.394 49 residues pruned to eliminate duplicates Z: 29 15.050 2.058 0.182 0.465 0.893 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 26 16.926 2.076 0.299 0.509 0.920 0.560 CA 1.352 26 residues pruned to eliminate duplicates Z: 52 24.243 2.036 0.340 0.443 0.902 0.510 CB 1.462 52 residues pruned to eliminate duplicates Z: 53 25.614 1.969 0.398 0.467 0.981 0.635 CA 1.361 53 residues pruned to eliminate duplicates Z: 58 24.528 1.988 0.381 0.411 0.930 0.439 CA 1.397 58 residues pruned to eliminate duplicates Z: 29 18.315 2.000 0.341 0.462 0.929 0.536 CB 1.444 29 residues pruned to eliminate duplicates Z: 51 25.531 2.012 0.426 0.493 0.900 0.480 CB 1.407 51 residues pruned to eliminate duplicates Z: 53 24.857 1.975 0.319 0.468 0.942 0.615 CA 1.450 53 residues pruned to eliminate duplicates Z: 27 17.554 2.044 0.282 0.490 1.000 0.500 CB 1.327 27 residues pruned to eliminate duplicates Z: 15 13.278 2.078 0.180 0.460 1.000 0.571 CB 1.507 15 residues pruned to eliminate duplicates Z: 60 24.140 1.949 0.367 0.440 0.915 0.508 CB 1.372 60 residues pruned to eliminate duplicates Z: 29 17.261 1.995 0.353 0.453 0.929 0.464 CB 1.366 29 residues pruned to eliminate duplicates Z: 26 17.115 2.071 0.271 0.506 0.920 0.560 CA 1.404 26 residues pruned to eliminate duplicates Z: 53 27.023 1.974 0.417 0.453 0.962 0.538 CB 1.462 53 residues pruned to eliminate duplicates Z: 53 23.314 1.982 0.348 0.454 0.904 0.635 CA 1.404 53 residues pruned to eliminate duplicates Z: 51 25.882 1.996 0.393 0.443 0.980 0.600 CB 1.425 51 residues pruned to eliminate duplicates Z: 53 24.712 1.984 0.416 0.435 0.923 0.462 CA 1.413 53 residues pruned to eliminate duplicates Z: 11 14.541 2.068 0.489 0.640 1.000 0.700 CA 1.310 11 residues pruned to eliminate duplicates Z: 27 18.758 2.042 0.340 0.514 1.000 0.538 CB 1.325 27 residues pruned to eliminate duplicates Z: 11 16.929 2.115 0.576 0.619 1.000 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 26 18.427 2.082 0.367 0.506 0.960 0.640 CB 1.340 26 residues pruned to eliminate duplicates Z: 59 25.545 1.985 0.385 0.453 0.914 0.517 CB 1.401 59 residues pruned to eliminate duplicates Z: 42 22.286 1.983 0.465 0.455 0.927 0.561 CA 1.354 42 residues pruned to eliminate duplicates Z: 12 15.750 2.086 0.712 0.556 0.909 0.636 CA 1.385 11 residues pruned to eliminate duplicates 691 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 9 D: 8 E: 12 F: 10 G: 8 H: 10 I: 26 J: 44 K: 103 L: 35 M: 73 N: 19 O: 63 P: 27 Q: 146 R: 11 S: 73 CC for partial structure against native data = 24.63 % ------------------------------------------------------------------------------ Global autotracing cycle 25 = 0.300, Contrast = 0.390, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.555, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6659 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1265 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 13.798 2.011 0.408 0.381 0.850 0.550 CB 1.455 B: 22 34.327 2.200 0.647 0.930 1.000 0.667 CB 1.445 C: 12 18.477 2.108 0.467 0.799 0.909 0.636 CA 1.526 D: 19 35.835 2.206 0.888 0.921 0.944 0.778 CB 1.511 19 residues pruned to eliminate duplicates E: 23 15.399 1.973 0.506 0.430 0.864 0.773 CA 1.376 F: 22 26.668 1.929 0.549 0.856 1.000 0.905 CA 1.435 G: 17 21.280 2.115 0.407 0.861 0.938 0.688 CB 1.401 H: 10 11.451 1.910 0.335 0.534 1.000 0.556 CA 1.448 I: 12 12.801 2.085 0.355 0.846 0.909 0.636 CB 1.117 11 residues pruned to eliminate duplicates J: 7 12.534 1.888 0.407 0.897 1.000 0.833 CA 1.379 K: 10 23.800 2.181 0.738 0.907 1.000 0.778 CB 1.487 12 residues pruned to eliminate duplicates L: 19 39.707 2.254 1.009 0.903 1.000 0.611 CB 1.474 22 residues pruned to eliminate duplicates M: 21 39.078 2.268 0.755 0.920 1.000 0.800 CB 1.546 19 residues pruned to eliminate duplicates N: 15 23.764 2.081 0.486 0.921 1.000 0.714 CA 1.445 O: 10 8.561 1.954 0.513 0.474 0.778 0.667 CA 1.275 8 residues pruned to eliminate duplicates P: 18 20.230 2.011 0.425 0.860 0.941 0.529 CB 1.337 16 residues pruned to eliminate duplicates Q: 17 24.258 2.095 0.426 0.864 1.000 0.500 CA 1.488 17 residues pruned to eliminate duplicates R: 20 37.767 2.276 0.793 0.895 1.000 0.842 CB 1.522 20 residues pruned to eliminate duplicates S: 22 26.032 1.936 0.545 0.880 1.000 0.857 CA 1.376 22 residues pruned to eliminate duplicates T: 10 7.267 1.865 0.081 0.519 0.889 0.444 CB 1.326 U: 22 33.115 2.187 0.600 0.920 1.000 0.905 CB 1.455 22 residues pruned to eliminate duplicates V: 34 14.134 2.015 0.492 0.324 0.758 0.394 CB 1.311 W: 21 39.230 2.302 0.717 0.899 1.000 0.850 CB 1.586 21 residues pruned to eliminate duplicates X: 22 31.558 2.002 0.701 0.907 1.000 0.905 CB 1.437 22 residues pruned to eliminate duplicates Y: 9 14.347 1.833 0.543 0.825 1.000 0.625 CA 1.353 Z: 21 35.899 2.246 0.754 0.879 0.950 0.600 CB 1.555 21 residues pruned to eliminate duplicates Z: 23 15.158 2.043 0.322 0.519 0.909 0.500 CB 1.291 Z: 22 36.002 2.177 0.857 0.900 0.952 0.905 CB 1.458 22 residues pruned to eliminate duplicates Z: 27 20.044 2.077 0.779 0.330 0.923 0.500 CB 1.389 Z: 19 29.868 2.031 0.830 0.877 0.944 0.722 CA 1.456 19 residues pruned to eliminate duplicates Z: 20 10.449 1.903 0.309 0.342 0.895 0.474 CA 1.278 Z: 11 8.052 1.672 0.259 0.783 0.800 0.600 CB 1.179 11 residues pruned to eliminate duplicates Z: 20 43.929 2.320 0.880 0.932 1.000 0.789 CB 1.614 21 residues pruned to eliminate duplicates Z: 12 13.655 2.115 0.596 0.367 0.909 0.545 CB 1.548 12 residues pruned to eliminate duplicates Z: 21 36.115 2.307 0.494 0.895 1.000 0.800 CB 1.679 21 residues pruned to eliminate duplicates Z: 40 25.817 2.095 0.387 0.461 0.949 0.513 CA 1.562 14 residues pruned to eliminate duplicates Z: 21 35.838 2.271 0.577 0.903 1.000 0.900 CB 1.595 21 residues pruned to eliminate duplicates Z: 11 14.850 2.152 0.200 0.838 1.000 0.800 CB 1.359 Z: 21 44.977 2.311 0.968 0.937 1.000 0.800 CB 1.539 20 residues pruned to eliminate duplicates Z: 9 9.687 1.796 0.545 0.634 0.875 0.375 CB 1.244 9 residues pruned to eliminate duplicates Z: 19 16.790 1.974 0.131 0.879 1.000 0.778 CA 1.285 19 residues pruned to eliminate duplicates Z: 10 6.706 1.597 0.129 0.488 1.000 0.556 CB 1.255 Z: 9 9.986 1.819 0.433 0.860 0.875 0.375 CB 1.138 8 residues pruned to eliminate duplicates Z: 29 16.899 2.052 0.383 0.436 0.893 0.464 CB 1.346 28 residues pruned to eliminate duplicates Z: 17 18.693 2.094 0.257 0.812 0.938 0.688 CB 1.444 17 residues pruned to eliminate duplicates Z: 23 35.837 1.968 0.821 0.907 1.000 0.773 CB 1.515 22 residues pruned to eliminate duplicates Z: 22 40.833 2.249 0.798 0.891 1.000 0.714 CB 1.584 22 residues pruned to eliminate duplicates Z: 27 15.747 2.008 0.470 0.404 0.846 0.577 CB 1.368 31 residues pruned to eliminate duplicates Z: 16 17.426 1.814 0.391 0.881 0.933 0.800 CA 1.384 16 residues pruned to eliminate duplicates Z: 20 19.620 2.052 0.550 0.564 0.895 0.632 CB 1.486 21 residues pruned to eliminate duplicates Z: 25 18.656 2.129 0.700 0.288 0.875 0.375 CB 1.527 Z: 54 37.401 2.065 0.636 0.576 0.943 0.472 CA 1.499 48 residues pruned to eliminate duplicates Z: 17 13.482 2.013 0.313 0.463 1.000 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 18 35.002 2.170 0.869 0.882 0.941 0.765 CB 1.609 18 residues pruned to eliminate duplicates Z: 8 10.276 1.840 0.237 0.887 1.000 0.571 CB 1.230 8 residues pruned to eliminate duplicates Z: 15 11.059 2.030 0.285 0.447 0.857 0.500 CA 1.396 15 residues pruned to eliminate duplicates Z: 11 13.543 1.615 0.691 0.845 1.000 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 16 17.925 2.102 0.207 0.812 0.933 0.733 CB 1.490 16 residues pruned to eliminate duplicates Z: 18 22.692 1.969 0.538 0.919 1.000 0.706 CA 1.281 18 residues pruned to eliminate duplicates Z: 29 20.935 2.066 0.550 0.438 0.857 0.571 CB 1.537 25 residues pruned to eliminate duplicates Z: 18 23.878 2.059 0.568 0.913 0.941 0.706 CB 1.349 19 residues pruned to eliminate duplicates Z: 61 32.919 1.987 0.641 0.508 0.917 0.500 CB 1.411 20 residues pruned to eliminate duplicates Z: 22 32.347 2.157 0.744 0.899 0.952 0.762 CB 1.409 21 residues pruned to eliminate duplicates Z: 6 2.733 2.012 0.210 0.298 0.600 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 10 11.532 1.780 0.506 0.800 0.889 0.778 CA 1.241 10 residues pruned to eliminate duplicates Z: 11 16.273 2.140 0.527 0.832 0.800 0.500 CB 1.478 11 residues pruned to eliminate duplicates Z: 14 16.204 2.133 0.425 0.817 0.923 0.923 CB 1.215 14 residues pruned to eliminate duplicates Z: 20 11.067 1.955 0.346 0.423 0.842 0.632 CB 1.241 19 residues pruned to eliminate duplicates Z: 12 10.756 1.787 0.617 0.556 0.727 0.545 CA 1.462 12 residues pruned to eliminate duplicates Z: 6 3.590 1.616 -0.011 0.513 0.800 0.600 CB 1.240 Z: 23 21.087 2.056 0.394 0.629 0.909 0.591 CA 1.528 13 residues pruned to eliminate duplicates Z: 43 28.962 2.091 0.331 0.640 0.952 0.714 CA 1.479 44 residues pruned to eliminate duplicates Z: 53 22.853 1.984 0.298 0.428 0.923 0.577 CA 1.436 24 residues pruned to eliminate duplicates Z: 55 21.668 1.931 0.346 0.458 0.889 0.537 CA 1.332 53 residues pruned to eliminate duplicates Z: 12 5.178 1.607 0.440 0.714 0.818 0.727 CA 0.679 12 residues pruned to eliminate duplicates Z: 33 32.486 2.037 0.712 0.690 0.969 0.750 CB 1.429 33 residues pruned to eliminate duplicates Z: 14 9.634 1.870 0.835 0.309 0.769 0.538 CA 1.251 14 residues pruned to eliminate duplicates Z: 13 21.673 2.054 0.460 0.900 1.000 0.833 CA 1.491 13 residues pruned to eliminate duplicates Z: 44 36.370 2.068 0.719 0.626 0.953 0.674 CB 1.454 44 residues pruned to eliminate duplicates Z: 60 24.570 1.975 0.403 0.446 0.898 0.542 CA 1.357 54 residues pruned to eliminate duplicates Z: 10 12.486 2.073 0.150 0.839 0.889 0.556 CB 1.467 10 residues pruned to eliminate duplicates Z: 17 14.363 1.972 0.177 0.875 1.000 0.875 CA 1.125 17 residues pruned to eliminate duplicates Z: 7 4.018 1.731 -0.177 0.697 0.833 0.833 CB 1.154 Z: 15 11.285 1.916 0.323 0.468 0.929 0.500 CB 1.324 Z: 19 14.357 2.033 0.378 0.450 0.833 0.500 CA 1.526 19 residues pruned to eliminate duplicates Z: 16 16.978 2.063 0.349 0.886 1.000 0.600 CB 1.137 16 residues pruned to eliminate duplicates Z: 8 15.308 1.844 0.611 0.844 1.000 0.571 CA 1.449 10 residues pruned to eliminate duplicates Z: 17 15.765 1.944 0.251 0.858 0.938 0.812 CB 1.273 17 residues pruned to eliminate duplicates Z: 21 17.275 1.986 0.516 0.407 0.900 0.550 CA 1.571 21 residues pruned to eliminate duplicates Z: 8 14.137 2.050 0.560 0.806 0.857 0.571 CB 1.493 9 residues pruned to eliminate duplicates Z: 25 17.044 2.040 0.337 0.505 0.875 0.583 CA 1.449 24 residues pruned to eliminate duplicates Z: 13 21.495 2.206 0.528 0.871 1.000 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 12 5.002 1.919 0.236 0.346 0.636 0.364 CB 1.181 12 residues pruned to eliminate duplicates Z: 16 16.865 2.097 0.196 0.883 1.000 0.733 CB 1.256 16 residues pruned to eliminate duplicates Z: 11 10.272 1.985 0.542 0.390 0.900 0.600 CB 1.324 4 residues pruned to eliminate duplicates Z: 16 26.822 1.975 0.587 0.870 1.000 0.800 CA 1.613 16 residues pruned to eliminate duplicates Z: 22 42.305 2.238 0.958 0.900 0.952 0.667 CB 1.580 22 residues pruned to eliminate duplicates Z: 21 40.956 2.308 0.829 0.903 1.000 0.700 CB 1.547 21 residues pruned to eliminate duplicates Z: 12 15.256 1.886 0.517 0.891 1.000 0.636 CB 1.156 12 residues pruned to eliminate duplicates Z: 31 14.105 1.935 0.392 0.372 0.833 0.667 CB 1.315 25 residues pruned to eliminate duplicates Z: 6 2.529 1.632 0.646 0.454 0.600 0.600 N 0.736 6 residues pruned to eliminate duplicates Z: 21 26.262 2.031 0.307 0.912 1.000 0.950 CB 1.567 21 residues pruned to eliminate duplicates Z: 21 37.727 2.101 0.821 0.943 1.000 0.700 CB 1.527 21 residues pruned to eliminate duplicates Z: 28 11.623 1.873 0.221 0.408 0.889 0.519 CB 1.213 Z: 15 26.087 2.128 1.025 0.870 0.929 0.571 CB 1.272 15 residues pruned to eliminate duplicates Z: 19 24.684 1.996 0.684 0.802 0.889 0.722 CA 1.496 19 residues pruned to eliminate duplicates Z: 52 24.075 1.980 0.389 0.467 0.922 0.588 CB 1.376 52 residues pruned to eliminate duplicates Z: 20 23.525 1.986 0.401 0.872 0.947 0.737 CA 1.492 20 residues pruned to eliminate duplicates Z: 21 11.493 1.831 0.373 0.407 0.900 0.300 CB 1.252 Z: 18 8.834 1.840 0.250 0.410 0.824 0.588 CB 1.243 17 residues pruned to eliminate duplicates Z: 41 21.201 1.968 0.408 0.430 0.950 0.625 CA 1.370 41 residues pruned to eliminate duplicates Z: 57 38.531 1.989 0.772 0.652 0.946 0.661 CB 1.340 19 residues pruned to eliminate duplicates Z: 10 8.773 1.908 0.485 0.487 0.778 0.667 CA 1.344 10 residues pruned to eliminate duplicates Z: 8 8.292 1.754 0.472 0.831 0.857 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 30 21.679 1.926 0.398 0.485 0.966 0.621 CB 1.571 16 residues pruned to eliminate duplicates Z: 6 5.942 1.729 0.347 0.759 1.000 0.400 CB 0.906 Z: 11 13.819 2.028 0.595 0.519 0.900 0.700 CB 1.473 11 residues pruned to eliminate duplicates Z: 12 21.193 2.011 0.831 0.865 0.909 0.727 CA 1.398 12 residues pruned to eliminate duplicates Z: 44 20.907 1.984 0.487 0.415 0.907 0.512 CB 1.303 23 residues pruned to eliminate duplicates Z: 14 7.352 1.737 0.580 0.419 0.615 0.385 CB 1.314 14 residues pruned to eliminate duplicates Z: 15 16.585 2.022 0.258 0.892 0.929 0.857 CB 1.348 15 residues pruned to eliminate duplicates Z: 34 20.760 1.933 0.666 0.515 0.818 0.364 CB 1.351 34 residues pruned to eliminate duplicates Z: 22 37.134 2.004 0.902 0.895 1.000 0.571 CB 1.524 22 residues pruned to eliminate duplicates Z: 9 7.405 1.940 0.582 0.340 0.750 0.625 CB 1.353 Z: 11 7.801 1.895 0.428 0.379 0.800 0.400 CB 1.297 9 residues pruned to eliminate duplicates Z: 26 15.421 1.992 0.544 0.364 0.840 0.600 CB 1.383 26 residues pruned to eliminate duplicates Z: 35 27.507 2.046 0.549 0.597 0.912 0.588 CA 1.489 34 residues pruned to eliminate duplicates Z: 12 20.099 2.051 0.579 0.857 1.000 0.727 CA 1.379 11 residues pruned to eliminate duplicates Z: 7 7.464 1.744 -0.130 0.765 1.000 0.667 O 1.588 7 residues pruned to eliminate duplicates Z: 17 13.547 2.073 0.264 0.444 0.938 0.812 CB 1.461 17 residues pruned to eliminate duplicates Z: 16 17.540 1.884 0.660 0.677 0.933 0.600 CB 1.318 16 residues pruned to eliminate duplicates Z: 15 15.478 2.010 0.341 0.545 0.929 0.429 CA 1.582 21 residues pruned to eliminate duplicates Z: 7 5.705 1.671 0.186 0.524 0.833 0.333 C 1.377 Z: 30 21.298 2.023 0.734 0.383 0.897 0.483 CB 1.424 38 residues pruned to eliminate duplicates Z: 12 14.766 1.978 0.252 0.850 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 13 20.845 1.920 0.693 0.821 1.000 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 9 4.630 1.571 0.173 0.187 1.000 0.625 N 1.294 Z: 13 17.667 2.036 0.789 0.897 0.917 0.667 CB 1.093 13 residues pruned to eliminate duplicates Z: 11 9.550 2.014 0.526 0.341 0.800 0.500 CB 1.461 11 residues pruned to eliminate duplicates Z: 7 2.910 1.643 0.009 0.410 0.667 0.500 CB 1.181 Z: 18 13.784 2.016 0.372 0.491 0.941 0.706 CB 1.296 18 residues pruned to eliminate duplicates Z: 22 31.405 2.059 0.512 0.921 1.000 0.810 CB 1.549 Z: 52 25.161 2.014 0.360 0.486 0.941 0.588 CB 1.385 52 residues pruned to eliminate duplicates Z: 48 34.670 2.095 0.605 0.646 0.872 0.489 CA 1.504 48 residues pruned to eliminate duplicates Z: 12 11.606 1.989 0.710 0.473 0.909 0.818 CA 1.163 12 residues pruned to eliminate duplicates Z: 9 3.032 1.638 0.022 0.542 0.875 0.750 CB 0.702 9 residues pruned to eliminate duplicates Z: 17 11.100 1.930 0.519 0.456 0.812 0.625 CB 1.218 17 residues pruned to eliminate duplicates Z: 12 10.212 1.709 0.228 0.602 1.000 0.455 CB 1.331 12 residues pruned to eliminate duplicates Z: 20 12.074 1.941 0.586 0.268 0.842 0.368 CA 1.392 20 residues pruned to eliminate duplicates Z: 77 51.297 2.178 0.784 0.570 0.934 0.500 CB 1.514 70 residues pruned to eliminate duplicates Z: 28 22.469 2.137 0.680 0.395 0.926 0.556 CB 1.453 28 residues pruned to eliminate duplicates Z: 8 4.801 1.920 -0.041 0.549 0.714 0.571 CB 1.316 Z: 18 8.414 1.850 0.142 0.369 1.000 0.647 CB 1.111 16 residues pruned to eliminate duplicates Z: 7 2.871 1.703 -0.143 0.467 0.833 0.667 CB 0.997 Z: 28 21.297 2.051 0.616 0.493 0.926 0.593 CB 1.346 24 residues pruned to eliminate duplicates Z: 7 8.607 1.758 0.381 0.682 0.833 0.833 CA 1.470 Z: 16 14.286 2.034 0.467 0.444 0.933 0.533 CB 1.403 16 residues pruned to eliminate duplicates Z: 11 12.143 1.862 0.394 0.565 0.900 0.500 CB 1.545 11 residues pruned to eliminate duplicates Z: 6 2.726 1.454 0.073 0.439 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 8 7.254 1.906 0.584 0.401 0.857 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 21 38.531 2.081 0.862 0.930 1.000 0.700 CB 1.555 21 residues pruned to eliminate duplicates Z: 26 16.029 1.902 0.419 0.474 0.880 0.560 CB 1.385 10 residues pruned to eliminate duplicates Z: 12 4.499 1.681 0.056 0.423 0.727 0.545 CB 1.139 12 residues pruned to eliminate duplicates Z: 20 16.905 1.970 0.162 0.858 0.947 0.895 CA 1.317 20 residues pruned to eliminate duplicates Z: 19 34.830 2.040 0.832 0.914 1.000 0.778 CA 1.553 19 residues pruned to eliminate duplicates Z: 12 7.396 1.713 0.616 0.396 0.818 0.727 CB 1.098 9 residues pruned to eliminate duplicates Z: 19 13.069 1.957 0.366 0.451 0.889 0.722 CA 1.364 19 residues pruned to eliminate duplicates Z: 44 24.478 2.057 0.574 0.508 0.884 0.558 CB 1.294 44 residues pruned to eliminate duplicates Z: 9 7.844 1.650 0.497 0.501 0.875 0.750 CB 1.282 Z: 14 11.076 1.992 0.514 0.462 0.769 0.538 CB 1.376 17 residues pruned to eliminate duplicates Z: 16 21.298 2.029 0.515 0.839 0.933 0.533 CB 1.432 16 residues pruned to eliminate duplicates Z: 8 4.066 1.601 0.493 0.413 0.857 0.571 CB 0.822 7 residues pruned to eliminate duplicates Z: 10 6.742 1.997 0.005 0.392 1.000 0.556 CB 1.255 12 residues pruned to eliminate duplicates Z: 16 8.064 1.785 0.366 0.337 0.800 0.533 CB 1.275 Z: 16 10.286 1.757 0.295 0.474 0.800 0.533 N 1.498 13 residues pruned to eliminate duplicates Z: 12 8.199 1.940 0.576 0.323 0.818 0.455 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 6.364 1.923 1.023 0.465 0.800 0.400 CB 0.948 6 residues pruned to eliminate duplicates Z: 17 11.186 1.891 0.402 0.423 0.875 0.438 CA 1.306 17 residues pruned to eliminate duplicates 6 0.577 1.325 -0.106 0.294 0.600 0.600 CA 0.458 ? Z: 7 2.622 1.248 0.406 0.835 0.667 0.500 CB 0.686 Z: 30 15.220 1.949 0.635 0.256 0.862 0.379 CA 1.361 30 residues pruned to eliminate duplicates Z: 6 3.431 1.696 0.335 0.472 0.600 0.600 N 1.162 6 residues pruned to eliminate duplicates Z: 11 13.005 1.749 0.378 0.903 1.000 0.700 CB 1.216 11 residues pruned to eliminate duplicates Z: 8 8.563 1.906 0.294 0.608 0.857 0.571 CB 1.382 8 residues pruned to eliminate duplicates Z: 30 15.168 1.852 0.396 0.459 0.897 0.517 CB 1.266 27 residues pruned to eliminate duplicates Z: 7 3.179 1.514 -0.173 0.677 0.833 0.833 CB 1.057 7 residues pruned to eliminate duplicates Z: 21 43.013 2.283 0.956 0.917 1.000 0.500 CB 1.520 21 residues pruned to eliminate duplicates Z: 9 2.686 1.525 0.139 0.380 0.875 0.625 CB 0.710 Z: 51 27.193 2.001 0.486 0.470 0.880 0.600 CB 1.515 106 residues pruned to eliminate duplicates Z: 51 43.409 2.156 0.854 0.673 0.900 0.420 CB 1.454 51 residues pruned to eliminate duplicates Z: 15 8.306 1.813 0.147 0.422 0.929 0.429 CA 1.247 Z: 17 10.180 1.968 0.365 0.387 0.875 0.625 CB 1.221 17 residues pruned to eliminate duplicates Z: 7 7.192 1.886 0.314 0.793 0.667 0.500 CA 1.374 7 residues pruned to eliminate duplicates Z: 31 16.130 1.963 0.338 0.393 0.867 0.500 CA 1.449 29 residues pruned to eliminate duplicates Z: 21 9.468 1.897 0.417 0.360 0.850 0.550 CB 1.078 21 residues pruned to eliminate duplicates Z: 6 5.600 1.958 0.634 0.551 0.800 0.600 CB 0.930 6 residues pruned to eliminate duplicates Z: 8 4.246 1.579 0.570 0.298 0.714 0.143 CA 1.136 Z: 7 6.982 1.861 0.438 0.377 0.833 0.333 O 1.458 7 residues pruned to eliminate duplicates Z: 11 6.157 1.726 0.544 0.463 0.800 0.400 CB 0.948 9 residues pruned to eliminate duplicates Z: 11 13.458 2.103 0.296 0.759 0.900 0.500 CB 1.379 11 residues pruned to eliminate duplicates Z: 7 8.362 1.937 0.578 0.544 0.833 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 16 26.386 2.014 0.675 0.880 1.000 0.667 CA 1.463 16 residues pruned to eliminate duplicates Z: 6 6.808 1.742 -0.051 0.701 1.000 0.800 N 1.535 Z: 12 14.251 1.944 0.354 0.873 0.909 0.636 CA 1.308 12 residues pruned to eliminate duplicates Z: 12 10.133 1.847 0.367 0.532 0.818 0.364 CA 1.433 12 residues pruned to eliminate duplicates Z: 7 6.774 1.921 0.124 0.583 0.833 0.500 CB 1.420 Z: 31 21.159 2.057 0.612 0.414 0.933 0.533 CA 1.366 45 residues pruned to eliminate duplicates Z: 24 20.054 2.010 0.455 0.506 0.957 0.565 CB 1.484 Z: 27 11.558 1.934 0.457 0.330 0.808 0.423 CB 1.200 27 residues pruned to eliminate duplicates Z: 7 5.323 1.631 -0.074 0.731 1.000 0.500 CB 1.169 8 residues pruned to eliminate duplicates Z: 13 5.822 2.034 0.060 0.341 0.750 0.583 CB 1.235 13 residues pruned to eliminate duplicates Z: 10 3.890 1.558 0.128 0.314 0.889 0.333 CB 1.020 Z: 15 8.733 1.810 0.373 0.303 0.786 0.429 CB 1.488 15 residues pruned to eliminate duplicates Z: 11 10.624 1.786 1.020 0.357 0.900 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 14 17.611 1.853 0.830 0.746 0.923 0.692 CB 1.253 14 residues pruned to eliminate duplicates Z: 10 5.169 1.662 0.413 0.520 0.778 0.667 CB 0.925 9 residues pruned to eliminate duplicates Z: 23 35.914 1.967 0.855 0.928 1.000 0.591 CB 1.470 23 residues pruned to eliminate duplicates Z: 35 17.509 1.982 0.484 0.418 0.882 0.559 CB 1.260 28 residues pruned to eliminate duplicates Z: 9 7.982 1.919 0.029 0.837 0.750 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 7 6.664 1.826 0.264 0.617 1.000 0.833 CA 1.055 7 residues pruned to eliminate duplicates Z: 10 14.527 1.978 0.411 0.847 0.889 0.667 CA 1.449 10 residues pruned to eliminate duplicates Z: 40 29.265 2.101 0.527 0.504 0.923 0.538 CA 1.576 40 residues pruned to eliminate duplicates Z: 51 18.717 1.948 0.348 0.383 0.820 0.520 CB 1.392 29 residues pruned to eliminate duplicates Z: 10 12.393 2.163 0.156 0.844 0.889 0.444 CA 1.383 10 residues pruned to eliminate duplicates Z: 21 11.250 1.881 0.156 0.480 0.850 0.450 CB 1.390 23 residues pruned to eliminate duplicates Z: 9 10.047 1.849 0.602 0.564 0.875 0.625 CA 1.288 Z: 55 22.224 1.940 0.366 0.433 0.889 0.463 CB 1.376 55 residues pruned to eliminate duplicates Z: 9 16.270 1.943 0.734 0.605 1.000 0.750 CB 1.546 9 residues pruned to eliminate duplicates Z: 45 38.119 2.073 0.724 0.601 0.955 0.591 CB 1.530 45 residues pruned to eliminate duplicates Z: 22 32.078 1.981 0.678 0.906 1.000 0.619 CB 1.497 22 residues pruned to eliminate duplicates Z: 10 2.766 1.635 0.052 0.395 0.667 0.444 CB 0.898 Z: 9 7.159 1.912 0.190 0.433 0.750 0.375 CB 1.589 9 residues pruned to eliminate duplicates Z: 16 25.902 2.119 0.751 0.902 1.000 0.733 CB 1.285 Z: 7 3.695 1.444 0.244 0.433 1.000 0.833 CA 0.900 7 residues pruned to eliminate duplicates Z: 8 3.643 1.656 0.475 0.393 0.571 0.429 CB 1.105 8 residues pruned to eliminate duplicates Z: 10 5.456 1.624 0.376 0.306 0.778 0.444 N 1.298 10 residues pruned to eliminate duplicates Z: 6 7.055 1.697 0.565 0.645 1.000 0.600 CA 1.038 Z: 6 2.426 1.718 -0.074 0.588 0.800 0.600 CB 0.783 6 residues pruned to eliminate duplicates Z: 23 11.891 1.941 0.373 0.405 0.773 0.591 CB 1.360 23 residues pruned to eliminate duplicates Z: 8 3.789 1.631 0.206 0.293 0.857 0.571 CB 1.072 Z: 29 19.558 2.070 0.626 0.419 0.857 0.393 CB 1.394 29 residues pruned to eliminate duplicates Z: 10 7.453 1.935 0.520 0.476 0.667 0.556 CB 1.299 10 residues pruned to eliminate duplicates Z: 26 17.020 2.029 0.516 0.410 0.840 0.440 CB 1.447 26 residues pruned to eliminate duplicates Z: 7 5.893 1.823 -0.048 0.874 0.833 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 9 13.246 1.751 0.472 0.840 1.000 0.750 CA 1.356 Z: 10 10.464 1.890 0.536 0.850 1.000 0.778 CB 0.890 10 residues pruned to eliminate duplicates Z: 11 18.440 2.098 0.525 0.835 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 51 20.902 1.983 0.408 0.420 0.840 0.560 CB 1.370 52 residues pruned to eliminate duplicates Z: 10 9.430 1.649 0.266 0.591 1.000 0.778 CA 1.380 10 residues pruned to eliminate duplicates Z: 66 39.846 2.121 0.573 0.572 0.923 0.508 CA 1.497 74 residues pruned to eliminate duplicates Z: 10 6.481 1.837 0.502 0.307 0.778 0.556 CA 1.248 10 residues pruned to eliminate duplicates Z: 26 17.532 2.028 0.333 0.511 0.960 0.520 CA 1.337 26 residues pruned to eliminate duplicates Z: 12 6.007 1.802 0.142 0.515 0.727 0.636 CA 1.193 12 residues pruned to eliminate duplicates Z: 24 38.835 2.322 0.926 0.673 0.957 0.522 CA 1.614 24 residues pruned to eliminate duplicates Z: 55 25.015 1.976 0.386 0.458 0.926 0.611 CB 1.402 55 residues pruned to eliminate duplicates Z: 19 25.323 1.990 0.424 0.902 1.000 0.889 CB 1.502 Z: 21 15.017 2.120 0.672 0.303 0.850 0.500 CA 1.387 21 residues pruned to eliminate duplicates Z: 21 14.896 1.988 0.594 0.397 0.900 0.450 CB 1.301 21 residues pruned to eliminate duplicates Z: 23 20.163 2.170 0.720 0.368 0.955 0.500 CB 1.390 23 residues pruned to eliminate duplicates Z: 16 6.084 1.781 0.138 0.345 0.733 0.400 CA 1.251 16 residues pruned to eliminate duplicates Z: 51 35.140 2.049 0.525 0.668 0.980 0.620 CA 1.390 51 residues pruned to eliminate duplicates Z: 6 5.399 1.525 0.672 0.600 1.000 0.400 CB 0.861 Z: 6 7.006 1.476 1.015 0.585 1.000 0.400 C 0.971 7 residues pruned to eliminate duplicates Z: 10 10.945 1.943 0.305 0.689 0.889 0.778 C 1.361 10 residues pruned to eliminate duplicates Z: 13 8.784 1.838 0.404 0.399 0.833 0.500 CB 1.312 13 residues pruned to eliminate duplicates Z: 15 7.938 1.733 0.208 0.402 0.857 0.500 CA 1.311 15 residues pruned to eliminate duplicates Z: 10 15.271 2.008 0.640 0.551 1.000 0.778 CA 1.472 10 residues pruned to eliminate duplicates Z: 26 16.109 1.913 0.369 0.507 0.960 0.640 CB 1.272 29 residues pruned to eliminate duplicates Z: 33 41.128 2.249 0.955 0.685 0.938 0.688 CA 1.488 33 residues pruned to eliminate duplicates Z: 31 18.069 1.997 0.296 0.423 0.900 0.533 CA 1.535 34 residues pruned to eliminate duplicates Z: 14 11.755 1.953 0.227 0.423 1.000 0.538 CB 1.474 22 residues pruned to eliminate duplicates Z: 8 10.740 1.829 0.307 0.909 1.000 0.714 CB 1.206 8 residues pruned to eliminate duplicates Z: 24 16.081 2.073 0.497 0.343 0.870 0.565 CB 1.475 24 residues pruned to eliminate duplicates Z: 10 4.508 1.700 0.494 0.383 0.778 0.444 CB 0.862 10 residues pruned to eliminate duplicates Z: 48 30.208 1.944 0.516 0.581 0.957 0.489 CB 1.445 48 residues pruned to eliminate duplicates Z: 8 3.691 1.603 0.323 0.348 0.857 0.429 CB 0.904 Z: 27 12.066 1.916 0.220 0.354 0.923 0.538 CB 1.285 27 residues pruned to eliminate duplicates Z: 19 12.327 2.008 0.264 0.463 0.889 0.833 CB 1.337 19 residues pruned to eliminate duplicates Z: 7 5.767 1.770 0.055 0.490 0.833 0.500 CA 1.527 6 residues pruned to eliminate duplicates Z: 73 43.052 2.079 0.640 0.566 0.917 0.542 CB 1.522 76 residues pruned to eliminate duplicates Z: 13 14.613 1.865 0.509 0.627 0.917 0.500 CB 1.450 13 residues pruned to eliminate duplicates Z: 7 2.794 1.404 0.290 0.239 0.833 0.500 N 1.022 Z: 14 12.358 2.092 0.336 0.480 0.846 0.538 CB 1.480 14 residues pruned to eliminate duplicates 6 1.295 1.201 1.188 0.396 0.600 0.400 CB 0.410 ? Z: 6 3.426 1.478 0.304 0.808 1.000 0.800 CB 0.608 6 residues pruned to eliminate duplicates Z: 41 18.734 1.919 0.351 0.407 0.925 0.525 CA 1.361 55 residues pruned to eliminate duplicates Z: 7 2.238 1.782 0.172 0.373 0.833 0.667 CA 0.601 Z: 16 10.652 1.867 0.265 0.426 0.933 0.733 CB 1.347 16 residues pruned to eliminate duplicates Z: 10 5.444 1.765 0.194 0.401 0.889 0.444 CB 1.075 9 residues pruned to eliminate duplicates Z: 31 18.404 2.049 0.362 0.434 0.900 0.567 CB 1.432 31 residues pruned to eliminate duplicates Z: 6 5.561 1.487 0.711 0.607 1.000 0.600 CB 0.883 6 residues pruned to eliminate duplicates Z: 6 3.253 1.550 0.482 0.654 0.800 0.800 CB 0.686 Z: 7 2.976 1.896 0.066 0.290 0.667 0.333 CB 1.142 7 residues pruned to eliminate duplicates Z: 11 11.747 2.058 0.497 0.517 0.900 0.600 CB 1.318 11 residues pruned to eliminate duplicates Z: 7 3.541 1.523 0.069 0.654 0.833 0.500 N 0.923 7 residues pruned to eliminate duplicates Z: 8 3.746 1.317 0.783 0.344 0.857 0.429 N 0.833 Z: 13 18.228 1.937 0.844 0.850 0.917 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 13 9.029 1.901 0.238 0.525 0.833 0.583 CA 1.297 13 residues pruned to eliminate duplicates Z: 21 19.294 2.150 0.515 0.440 0.950 0.650 CB 1.483 21 residues pruned to eliminate duplicates Z: 13 6.614 1.812 -0.088 0.436 1.000 0.500 CA 1.234 13 residues pruned to eliminate duplicates Z: 16 3.434 1.608 0.336 0.271 0.667 0.133 CB 0.804 17 residues pruned to eliminate duplicates Z: 6 3.010 1.524 0.255 0.633 0.800 0.400 CB 0.777 6 residues pruned to eliminate duplicates Z: 63 40.016 1.996 0.718 0.623 0.952 0.565 CB 1.387 63 residues pruned to eliminate duplicates Z: 12 10.682 1.655 0.900 0.398 0.818 0.545 CB 1.394 9 residues pruned to eliminate duplicates Z: 6 2.239 1.156 0.452 0.470 0.800 0.400 CB 0.768 Z: 6 3.204 1.437 1.256 0.284 0.600 0.400 N 0.940 Z: 7 7.715 1.741 0.229 0.671 0.833 0.667 CB 1.508 7 residues pruned to eliminate duplicates Z: 6 12.499 2.125 0.752 0.721 1.000 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 29 12.491 1.922 0.173 0.397 0.929 0.571 CB 1.258 29 residues pruned to eliminate duplicates Z: 18 14.400 2.024 0.543 0.386 0.941 0.412 CA 1.340 18 residues pruned to eliminate duplicates Z: 8 11.941 2.151 0.626 0.579 0.857 0.714 CA 1.395 8 residues pruned to eliminate duplicates Z: 12 9.113 1.794 0.526 0.446 0.727 0.636 CA 1.459 11 residues pruned to eliminate duplicates Z: 22 12.275 1.971 0.298 0.440 0.810 0.571 CA 1.375 22 residues pruned to eliminate duplicates Z: 10 8.576 1.673 0.300 0.796 0.889 0.778 CA 1.141 10 residues pruned to eliminate duplicates Z: 23 18.547 1.890 0.607 0.489 0.909 0.591 CA 1.448 24 residues pruned to eliminate duplicates Z: 20 9.180 1.783 0.357 0.351 0.789 0.474 CB 1.295 20 residues pruned to eliminate duplicates Z: 10 5.671 1.752 0.540 0.435 0.778 0.556 CB 0.963 10 residues pruned to eliminate duplicates Z: 51 26.874 2.007 0.442 0.493 0.940 0.600 CA 1.406 51 residues pruned to eliminate duplicates Z: 23 15.473 2.019 0.406 0.526 0.909 0.455 CB 1.245 23 residues pruned to eliminate duplicates Z: 10 4.572 1.682 0.459 0.229 0.667 0.222 CB 1.278 10 residues pruned to eliminate duplicates Z: 12 15.502 2.086 0.516 0.612 1.000 0.909 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 6.465 1.713 0.345 0.350 0.750 0.417 CA 1.271 13 residues pruned to eliminate duplicates Z: 28 11.692 1.952 0.166 0.413 0.889 0.444 CA 1.218 28 residues pruned to eliminate duplicates Z: 6 3.079 1.508 0.481 0.478 0.800 0.600 N 0.788 Z: 7 4.769 1.738 0.079 0.531 1.000 0.667 CB 1.007 7 residues pruned to eliminate duplicates Z: 6 5.241 1.606 0.280 0.650 0.800 0.600 CA 1.240 4 residues pruned to eliminate duplicates Z: 26 20.220 1.960 0.487 0.568 0.960 0.720 CB 1.354 26 residues pruned to eliminate duplicates Z: 10 11.219 1.707 0.644 0.875 0.889 0.889 CB 1.090 10 residues pruned to eliminate duplicates Z: 29 17.510 2.008 0.470 0.446 0.893 0.536 CB 1.327 29 residues pruned to eliminate duplicates Z: 16 21.498 2.024 0.624 0.887 0.933 0.733 CB 1.304 16 residues pruned to eliminate duplicates Z: 18 25.702 2.032 0.492 0.902 1.000 0.647 CA 1.467 18 residues pruned to eliminate duplicates Z: 13 12.952 2.016 0.509 0.493 0.833 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 63 39.250 2.152 0.659 0.576 0.871 0.629 CB 1.490 63 residues pruned to eliminate duplicates Z: 14 5.113 1.663 0.273 0.246 0.923 0.308 CA 0.973 14 residues pruned to eliminate duplicates Z: 8 8.006 1.687 0.224 0.824 1.000 0.571 CB 1.107 8 residues pruned to eliminate duplicates Z: 32 17.268 1.903 0.377 0.412 0.903 0.613 CA 1.437 32 residues pruned to eliminate duplicates Z: 8 4.837 1.578 0.530 0.517 1.000 0.571 N 0.744 Z: 6 4.821 1.832 0.414 0.409 0.800 0.600 CB 1.145 6 residues pruned to eliminate duplicates Z: 13 10.766 1.989 0.620 0.400 0.833 0.583 CB 1.286 13 residues pruned to eliminate duplicates Z: 11 9.572 1.749 0.246 0.915 1.000 1.000 CA 0.982 11 residues pruned to eliminate duplicates Z: 7 5.487 1.463 0.347 0.823 0.833 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 30 12.991 1.867 0.356 0.365 0.828 0.552 CB 1.332 30 residues pruned to eliminate duplicates Z: 8 4.810 1.533 0.321 0.457 1.000 0.714 CB 0.939 7 residues pruned to eliminate duplicates Z: 9 6.469 1.598 0.578 0.808 0.750 0.375 CB 0.925 9 residues pruned to eliminate duplicates Z: 61 24.007 1.943 0.363 0.455 0.933 0.517 CA 1.313 61 residues pruned to eliminate duplicates Z: 17 24.565 2.041 0.845 0.849 0.938 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 8 6.552 1.682 -0.021 0.604 1.000 0.429 CA 1.363 Z: 28 17.658 2.003 0.606 0.395 0.852 0.444 CA 1.386 39 residues pruned to eliminate duplicates Z: 13 12.374 2.012 0.629 0.378 0.917 0.417 CB 1.354 13 residues pruned to eliminate duplicates Z: 9 5.306 1.620 0.442 0.320 0.875 0.375 CB 1.118 Z: 29 11.244 1.897 0.174 0.390 0.857 0.464 CB 1.251 23 residues pruned to eliminate duplicates Z: 10 20.067 2.118 0.660 0.686 1.000 0.889 CB 1.605 10 residues pruned to eliminate duplicates Z: 7 4.530 1.662 0.168 0.569 1.000 0.667 CA 0.891 7 residues pruned to eliminate duplicates Z: 10 10.024 1.919 0.489 0.532 0.889 0.667 CB 1.274 10 residues pruned to eliminate duplicates Z: 58 23.910 1.953 0.340 0.472 0.912 0.561 CA 1.366 58 residues pruned to eliminate duplicates Z: 30 16.410 1.908 0.376 0.446 0.931 0.483 CA 1.318 30 residues pruned to eliminate duplicates Z: 20 8.701 1.834 0.357 0.288 0.789 0.526 CA 1.289 50 residues pruned to eliminate duplicates Z: 18 16.946 2.090 0.437 0.610 0.824 0.706 CA 1.497 18 residues pruned to eliminate duplicates Z: 7 6.377 1.819 0.104 0.864 0.833 0.667 CB 1.140 7 residues pruned to eliminate duplicates Z: 16 16.584 2.141 0.292 0.814 0.867 0.800 CB 1.359 16 residues pruned to eliminate duplicates Z: 17 5.299 1.805 0.123 0.223 0.688 0.375 CB 1.315 17 residues pruned to eliminate duplicates Z: 10 13.927 1.791 0.701 0.895 1.000 0.778 CB 1.092 10 residues pruned to eliminate duplicates Z: 28 16.101 2.038 0.220 0.469 0.926 0.519 CA 1.389 28 residues pruned to eliminate duplicates Z: 8 4.400 1.881 0.189 0.491 0.714 0.429 CB 1.050 8 residues pruned to eliminate duplicates Z: 8 5.856 2.134 0.294 0.823 0.857 0.714 CB 0.707 8 residues pruned to eliminate duplicates Z: 9 10.417 1.901 0.514 0.556 0.875 0.750 CA 1.385 9 residues pruned to eliminate duplicates Z: 9 3.098 1.383 0.344 0.370 0.625 0.375 CB 1.083 Z: 9 3.560 1.479 0.606 0.242 0.625 0.375 CB 1.142 Z: 26 13.241 1.902 0.291 0.453 0.880 0.680 CA 1.287 26 residues pruned to eliminate duplicates Z: 15 11.761 1.952 0.544 0.460 0.786 0.429 CB 1.382 15 residues pruned to eliminate duplicates Z: 8 10.433 1.772 0.209 0.854 1.000 0.857 CA 1.359 8 residues pruned to eliminate duplicates Z: 7 7.868 1.916 0.287 0.704 0.833 0.667 CB 1.298 7 residues pruned to eliminate duplicates Z: 22 35.258 2.048 0.751 0.923 1.000 0.571 CB 1.508 22 residues pruned to eliminate duplicates Z: 43 24.198 2.053 0.439 0.480 0.857 0.500 CB 1.506 43 residues pruned to eliminate duplicates Z: 61 29.784 2.036 0.624 0.490 0.917 0.550 CB 1.281 61 residues pruned to eliminate duplicates Z: 18 16.022 1.769 0.503 0.734 1.000 0.588 CA 1.184 18 residues pruned to eliminate duplicates Z: 13 7.600 1.863 0.409 0.436 0.750 0.667 CB 1.190 13 residues pruned to eliminate duplicates Z: 7 6.445 1.657 0.804 0.454 0.833 0.500 CA 1.107 Z: 7 2.736 1.614 0.099 0.597 0.667 0.667 CB 0.861 7 residues pruned to eliminate duplicates Z: 23 24.111 1.858 0.626 0.862 0.955 0.727 CA 1.309 23 residues pruned to eliminate duplicates Z: 22 32.016 2.170 0.989 0.835 0.905 0.667 CB 1.340 22 residues pruned to eliminate duplicates Z: 13 3.317 1.540 0.288 0.171 0.667 0.250 CA 1.080 13 residues pruned to eliminate duplicates Z: 18 23.949 2.015 0.584 0.875 0.882 0.471 CA 1.499 18 residues pruned to eliminate duplicates Z: 12 13.578 2.081 0.471 0.569 0.909 0.636 CA 1.375 12 residues pruned to eliminate duplicates Z: 10 10.777 2.021 0.322 0.486 0.889 0.667 CA 1.535 10 residues pruned to eliminate duplicates Z: 7 2.380 1.520 0.559 0.247 0.500 0.500 C 1.098 Z: 6 6.589 1.524 0.630 0.573 0.800 0.800 O 1.381 7 residues pruned to eliminate duplicates Z: 16 12.555 1.818 0.393 0.530 0.933 0.533 CB 1.332 16 residues pruned to eliminate duplicates Z: 25 12.471 1.899 0.249 0.427 0.917 0.458 CA 1.263 25 residues pruned to eliminate duplicates Z: 23 22.963 2.013 0.724 0.521 0.955 0.727 CB 1.448 23 residues pruned to eliminate duplicates Z: 19 12.961 1.908 0.390 0.484 0.889 0.611 CB 1.317 19 residues pruned to eliminate duplicates Z: 23 11.099 1.799 0.269 0.362 0.955 0.318 CB 1.259 23 residues pruned to eliminate duplicates Z: 10 12.171 1.777 0.632 0.874 1.000 1.000 CA 1.018 10 residues pruned to eliminate duplicates Z: 10 5.212 1.620 0.137 0.354 0.889 0.667 CB 1.242 9 residues pruned to eliminate duplicates Z: 6 6.175 1.879 0.446 0.821 0.600 0.400 CA 1.282 6 residues pruned to eliminate duplicates Z: 16 27.989 2.080 0.770 0.872 1.000 0.667 CA 1.431 16 residues pruned to eliminate duplicates Z: 14 10.980 1.960 0.277 0.412 1.000 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 23 20.483 2.093 0.811 0.404 0.864 0.455 CB 1.476 23 residues pruned to eliminate duplicates Z: 6 7.731 1.832 0.408 0.842 0.800 0.600 CA 1.249 6 residues pruned to eliminate duplicates Z: 77 46.933 2.133 0.661 0.566 0.947 0.671 CB 1.505 77 residues pruned to eliminate duplicates Z: 35 17.180 1.917 0.532 0.531 0.853 0.618 CB 1.140 35 residues pruned to eliminate duplicates Z: 46 20.344 1.982 0.344 0.424 0.867 0.467 CB 1.422 46 residues pruned to eliminate duplicates Z: 6 2.557 1.386 0.630 0.296 0.600 0.400 CA 1.060 Z: 12 7.309 1.825 0.178 0.460 0.909 0.455 CB 1.175 12 residues pruned to eliminate duplicates Z: 7 3.466 1.661 0.252 0.405 0.833 0.667 CB 0.902 7 residues pruned to eliminate duplicates Z: 17 25.502 2.025 0.844 0.867 0.938 0.750 CA 1.332 17 residues pruned to eliminate duplicates Z: 32 14.532 1.918 0.370 0.457 0.839 0.677 CB 1.237 32 residues pruned to eliminate duplicates Z: 52 23.818 1.985 0.340 0.452 0.941 0.549 CB 1.398 52 residues pruned to eliminate duplicates Z: 7 5.957 1.490 0.840 0.617 1.000 0.833 CA 0.794 7 residues pruned to eliminate duplicates Z: 13 6.561 1.747 0.324 0.429 0.750 0.500 CB 1.176 13 residues pruned to eliminate duplicates Z: 18 14.504 1.922 0.557 0.567 0.882 0.647 CA 1.248 18 residues pruned to eliminate duplicates Z: 25 12.156 2.025 0.215 0.413 0.792 0.542 CA 1.395 25 residues pruned to eliminate duplicates Z: 32 21.108 2.014 0.653 0.423 0.839 0.516 CB 1.471 33 residues pruned to eliminate duplicates Z: 23 17.693 1.955 0.395 0.610 0.909 0.864 CA 1.370 23 residues pruned to eliminate duplicates Z: 6 8.805 1.556 0.676 0.830 1.000 0.600 CB 1.135 Z: 47 19.084 1.895 0.376 0.407 0.891 0.522 CA 1.335 47 residues pruned to eliminate duplicates Z: 7 3.028 1.725 -0.246 0.373 0.833 0.667 CB 1.306 Z: 12 10.100 1.872 0.302 0.439 1.000 0.455 CA 1.331 12 residues pruned to eliminate duplicates Z: 10 2.809 1.492 0.290 0.312 0.667 0.222 CB 0.899 10 residues pruned to eliminate duplicates Z: 9 5.656 1.857 0.243 0.555 0.750 0.500 CB 1.096 9 residues pruned to eliminate duplicates 6 1.214 1.395 0.516 0.314 0.600 0.600 CB 0.526 ? Z: 12 7.105 1.902 0.078 0.334 0.818 0.455 CB 1.532 12 residues pruned to eliminate duplicates Z: 6 2.071 1.241 0.208 0.295 0.800 0.600 CA 0.972 Z: 8 4.333 1.697 0.135 0.540 0.714 0.714 CB 1.144 8 residues pruned to eliminate duplicates Z: 18 6.723 1.874 0.162 0.311 0.765 0.176 CB 1.208 18 residues pruned to eliminate duplicates Z: 9 3.694 1.561 0.378 0.424 0.625 0.375 CB 1.051 Z: 26 11.156 1.879 0.036 0.386 1.000 0.440 CB 1.294 26 residues pruned to eliminate duplicates Z: 11 12.605 2.215 0.125 0.835 1.000 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 6 3.687 1.552 -0.030 0.472 1.000 0.600 N 1.127 Z: 7 6.156 1.848 0.280 0.425 0.833 0.667 CB 1.379 7 residues pruned to eliminate duplicates Z: 22 36.039 2.208 0.926 0.899 0.952 0.714 CB 1.388 22 residues pruned to eliminate duplicates Z: 32 18.533 1.843 0.600 0.516 0.935 0.581 CA 1.187 32 residues pruned to eliminate duplicates Z: 10 3.701 1.602 0.036 0.343 0.778 0.222 O 1.133 Z: 15 18.604 2.103 0.475 0.834 0.929 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 6 3.092 1.584 0.040 0.491 1.000 0.600 CB 0.847 Z: 41 16.022 1.902 0.304 0.352 0.875 0.525 CA 1.370 41 residues pruned to eliminate duplicates Z: 8 2.828 1.429 0.339 0.213 0.857 0.429 CB 0.914 Z: 30 14.159 1.916 0.295 0.388 0.897 0.552 CA 1.331 30 residues pruned to eliminate duplicates Z: 11 9.451 1.851 0.200 0.505 0.900 0.400 CB 1.488 7 residues pruned to eliminate duplicates Z: 35 14.852 1.872 0.396 0.377 0.853 0.471 CB 1.303 35 residues pruned to eliminate duplicates Z: 8 8.342 1.737 0.682 0.417 1.000 0.429 CB 1.177 8 residues pruned to eliminate duplicates Z: 10 3.237 1.520 0.127 0.326 1.000 0.444 CB 0.762 Z: 16 11.612 1.904 0.465 0.391 0.800 0.600 CB 1.507 16 residues pruned to eliminate duplicates Z: 36 21.697 2.022 0.328 0.491 0.971 0.629 CA 1.418 36 residues pruned to eliminate duplicates Z: 7 7.012 1.945 0.265 0.473 1.000 0.667 CB 1.196 7 residues pruned to eliminate duplicates Z: 15 6.297 1.584 0.509 0.352 0.714 0.500 CA 1.157 15 residues pruned to eliminate duplicates Z: 23 13.476 1.874 0.470 0.418 0.909 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 20 25.429 1.946 0.716 0.900 0.947 0.474 CB 1.317 20 residues pruned to eliminate duplicates Z: 10 2.831 1.493 0.148 0.328 0.778 0.667 O 0.855 Z: 11 4.932 1.526 0.395 0.449 0.800 0.700 CB 0.965 8 residues pruned to eliminate duplicates Z: 54 19.555 1.904 0.281 0.379 0.943 0.528 CA 1.328 54 residues pruned to eliminate duplicates Z: 24 11.882 1.928 0.438 0.349 0.826 0.478 CB 1.275 24 residues pruned to eliminate duplicates Z: 21 32.326 2.243 0.555 0.871 1.000 0.700 CB 1.512 21 residues pruned to eliminate duplicates Z: 6 2.802 1.716 -0.016 0.387 1.000 0.800 CB 0.837 6 residues pruned to eliminate duplicates Z: 15 8.951 1.885 0.267 0.448 0.857 0.500 CB 1.232 15 residues pruned to eliminate duplicates Z: 20 38.148 2.108 1.028 0.948 1.000 0.632 CB 1.414 22 residues pruned to eliminate duplicates Z: 29 23.231 2.030 0.427 0.602 0.893 0.714 CB 1.540 29 residues pruned to eliminate duplicates Z: 33 38.097 2.158 0.979 0.688 0.875 0.500 CB 1.518 33 residues pruned to eliminate duplicates Z: 10 9.840 1.779 0.639 0.446 0.889 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 6 2.580 1.263 0.694 0.294 1.000 0.800 C 0.679 Z: 13 6.994 1.802 0.149 0.324 0.833 0.667 CB 1.421 13 residues pruned to eliminate duplicates Z: 17 16.177 2.069 0.696 0.430 1.000 0.562 CB 1.239 17 residues pruned to eliminate duplicates Z: 20 34.588 2.074 0.793 0.929 0.947 0.632 CB 1.576 20 residues pruned to eliminate duplicates 6 1.652 1.459 -0.063 0.306 0.800 0.600 CA 0.839 ? Z: 6 5.523 1.448 0.269 0.652 1.000 0.800 CB 1.167 Z: 7 2.406 1.231 0.351 0.330 0.833 0.500 N 0.853 5 residues pruned to eliminate duplicates Z: 21 29.284 2.028 0.733 0.905 0.900 0.600 CB 1.474 21 residues pruned to eliminate duplicates Z: 12 6.474 1.816 0.331 0.318 0.818 0.545 CA 1.207 12 residues pruned to eliminate duplicates Z: 14 12.800 1.754 0.301 0.732 1.000 0.769 CB 1.263 14 residues pruned to eliminate duplicates Z: 22 12.212 1.961 0.304 0.339 0.952 0.524 CB 1.304 22 residues pruned to eliminate duplicates Z: 7 4.575 1.686 -0.120 0.792 0.833 0.667 CA 1.170 6 residues pruned to eliminate duplicates Z: 6 4.111 1.800 -0.211 0.684 1.000 0.800 CA 1.093 6 residues pruned to eliminate duplicates Z: 18 10.953 1.930 0.431 0.426 0.765 0.353 CB 1.359 18 residues pruned to eliminate duplicates Z: 8 5.369 1.364 0.622 0.400 0.857 0.429 O 1.189 Z: 6 3.519 1.671 0.607 0.299 0.600 0.400 CB 1.221 Z: 51 37.723 2.112 0.610 0.645 0.920 0.580 CB 1.490 51 residues pruned to eliminate duplicates Z: 10 3.571 1.318 0.280 0.391 0.889 0.444 N 0.890 Z: 23 11.931 1.849 0.476 0.507 0.818 0.591 CB 1.131 23 residues pruned to eliminate duplicates Z: 14 4.122 1.773 0.190 0.420 0.538 0.462 CB 1.094 14 residues pruned to eliminate duplicates Z: 19 19.862 1.916 0.746 0.874 0.833 0.500 CB 1.223 19 residues pruned to eliminate duplicates Z: 6 4.296 1.640 -0.017 0.808 0.800 0.800 CA 1.139 Z: 8 7.254 1.833 0.605 0.365 1.000 0.714 CA 1.078 Z: 18 25.122 1.984 0.647 0.886 0.941 0.471 CA 1.430 18 residues pruned to eliminate duplicates Z: 10 3.675 1.555 0.291 0.375 0.667 0.222 CB 1.046 10 residues pruned to eliminate duplicates Z: 32 21.773 2.090 0.629 0.492 0.871 0.581 CB 1.329 32 residues pruned to eliminate duplicates Z: 31 24.310 1.946 0.637 0.581 0.900 0.567 CB 1.433 31 residues pruned to eliminate duplicates Z: 7 5.705 1.662 0.184 0.684 0.833 0.667 CA 1.199 5 residues pruned to eliminate duplicates Z: 16 6.788 1.779 0.585 0.117 0.867 0.267 CB 1.162 16 residues pruned to eliminate duplicates Z: 8 4.477 1.356 0.210 0.549 1.000 0.429 CB 0.984 Z: 63 34.861 2.017 0.481 0.575 0.968 0.645 CA 1.424 63 residues pruned to eliminate duplicates Z: 8 12.022 1.833 0.241 0.835 1.000 0.429 CA 1.496 8 residues pruned to eliminate duplicates Z: 8 4.762 1.883 0.538 0.319 0.857 0.286 CA 0.885 8 residues pruned to eliminate duplicates Z: 10 10.954 2.071 0.479 0.418 0.889 0.667 CB 1.461 10 residues pruned to eliminate duplicates Z: 7 2.997 1.591 0.689 0.242 0.667 0.167 CB 0.920 Z: 9 8.105 1.816 0.206 0.637 0.875 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 13 25.525 1.934 0.861 0.918 1.000 0.833 CB 1.444 13 residues pruned to eliminate duplicates Z: 6 4.701 1.365 0.657 0.789 1.000 0.600 CB 0.721 Z: 7 3.651 1.714 0.382 0.244 0.667 0.500 CA 1.269 Z: 7 4.484 1.392 0.459 0.484 0.833 0.333 CB 1.099 Z: 15 7.943 1.873 0.248 0.336 0.929 0.500 CA 1.170 15 residues pruned to eliminate duplicates Z: 7 2.951 1.447 0.056 0.342 0.833 0.667 C 1.123 Z: 13 7.776 1.957 0.641 0.443 0.667 0.583 CB 1.112 13 residues pruned to eliminate duplicates Z: 10 10.381 1.739 0.732 0.445 0.889 0.556 CB 1.367 10 residues pruned to eliminate duplicates Z: 10 7.517 1.724 0.068 0.617 0.889 0.778 N 1.370 10 residues pruned to eliminate duplicates Z: 6 3.396 1.613 0.694 0.299 0.600 0.400 N 1.159 6 residues pruned to eliminate duplicates Z: 12 20.899 1.945 0.907 0.846 1.000 0.273 CA 1.262 12 residues pruned to eliminate duplicates Z: 6 2.090 1.355 0.823 0.424 0.600 0.400 C 0.682 Z: 9 13.282 1.740 0.925 0.662 1.000 0.875 CA 1.206 11 residues pruned to eliminate duplicates Z: 13 4.922 1.788 -0.056 0.450 0.750 0.333 CB 1.182 13 residues pruned to eliminate duplicates Z: 19 10.406 1.915 0.159 0.419 0.944 0.667 CB 1.273 19 residues pruned to eliminate duplicates Z: 24 7.860 1.654 0.603 0.262 0.783 0.435 CB 1.037 17 residues pruned to eliminate duplicates Z: 7 10.475 1.701 0.489 0.786 1.000 0.500 CB 1.313 7 residues pruned to eliminate duplicates Z: 18 15.723 1.884 0.622 0.898 0.882 0.412 CB 1.012 18 residues pruned to eliminate duplicates Z: 60 25.094 1.967 0.364 0.449 0.949 0.610 CA 1.353 60 residues pruned to eliminate duplicates Z: 39 24.847 2.060 0.457 0.476 0.895 0.447 CB 1.538 39 residues pruned to eliminate duplicates Z: 24 11.763 1.864 0.402 0.439 0.826 0.478 CB 1.210 24 residues pruned to eliminate duplicates Z: 16 9.851 1.875 0.273 0.398 0.867 0.600 CA 1.370 16 residues pruned to eliminate duplicates Z: 12 3.664 1.459 0.289 0.221 0.818 0.455 CB 0.996 Z: 6 2.186 1.422 0.333 0.416 0.800 0.600 CB 0.704 Z: 60 26.115 1.974 0.427 0.476 0.915 0.610 CB 1.351 60 residues pruned to eliminate duplicates Z: 6 7.132 1.750 0.266 0.733 0.800 0.600 CA 1.459 6 residues pruned to eliminate duplicates Z: 21 12.681 1.932 0.275 0.539 0.900 0.550 CA 1.231 21 residues pruned to eliminate duplicates Z: 31 17.024 1.916 0.488 0.436 0.833 0.500 CB 1.398 31 residues pruned to eliminate duplicates Z: 7 3.282 1.352 0.511 0.348 0.833 0.667 CA 0.928 Z: 6 2.920 1.527 0.419 0.282 0.800 0.200 C 0.963 Z: 37 21.384 2.013 0.270 0.492 1.000 0.639 CB 1.405 37 residues pruned to eliminate duplicates Z: 16 11.219 1.873 0.374 0.430 0.933 0.600 CB 1.297 16 residues pruned to eliminate duplicates Z: 9 2.694 1.355 0.501 0.439 0.625 0.500 N 0.799 Z: 39 34.146 2.050 0.650 0.656 0.974 0.553 CA 1.456 39 residues pruned to eliminate duplicates Z: 10 5.260 1.588 0.491 0.512 0.667 0.333 CA 1.097 10 residues pruned to eliminate duplicates Z: 31 18.472 1.975 0.400 0.422 0.900 0.600 CB 1.470 31 residues pruned to eliminate duplicates 6 0.942 1.210 0.463 0.300 0.600 0.400 CB 0.496 ? Z: 46 28.706 1.938 0.558 0.590 0.911 0.533 CB 1.427 46 residues pruned to eliminate duplicates Z: 17 12.950 1.898 0.425 0.423 0.938 0.625 CA 1.382 16 residues pruned to eliminate duplicates Z: 8 11.682 1.737 0.609 0.890 1.000 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 7 3.947 1.562 0.050 0.541 0.833 0.500 N 1.132 Z: 21 11.071 1.808 0.202 0.466 0.950 0.750 CA 1.242 21 residues pruned to eliminate duplicates Z: 8 3.055 1.550 0.050 0.611 0.857 0.571 CB 0.745 Z: 7 3.532 1.373 0.555 0.309 0.833 0.333 CB 1.001 Z: 6 3.029 0.916 0.526 0.757 1.000 0.800 O 0.771 Z: 8 4.749 1.501 0.318 0.559 0.857 0.857 N 1.000 8 residues pruned to eliminate duplicates Z: 26 19.408 1.946 0.531 0.594 0.760 0.600 CB 1.567 26 residues pruned to eliminate duplicates Z: 6 3.827 1.431 0.851 0.463 0.800 0.600 CB 0.839 6 0.701 1.106 0.059 0.296 1.000 0.800 N 0.336 ? Z: 20 9.287 1.688 0.353 0.343 0.895 0.526 CB 1.238 20 residues pruned to eliminate duplicates Z: 10 6.484 1.855 0.619 0.399 1.000 0.778 CA 0.800 10 residues pruned to eliminate duplicates Z: 18 8.363 1.900 0.276 0.435 0.824 0.529 CB 1.087 18 residues pruned to eliminate duplicates Z: 26 16.073 1.960 0.682 0.425 0.840 0.520 CA 1.255 26 residues pruned to eliminate duplicates Z: 20 11.775 1.862 0.192 0.386 0.895 0.368 N 1.537 20 residues pruned to eliminate duplicates Z: 51 39.450 2.102 0.607 0.627 0.980 0.620 CA 1.495 51 residues pruned to eliminate duplicates Z: 54 38.882 2.002 0.715 0.660 0.943 0.660 CB 1.421 54 residues pruned to eliminate duplicates Z: 8 5.643 1.664 0.271 0.271 1.000 0.143 CB 1.308 6 1.514 1.166 0.890 0.297 0.600 0.400 CB 0.643 ? Z: 10 6.713 1.900 0.179 0.448 0.778 0.667 CB 1.355 10 residues pruned to eliminate duplicates Z: 6 5.140 1.773 0.246 0.580 0.800 0.400 CB 1.204 Z: 17 8.338 1.851 0.132 0.537 0.875 0.625 CB 1.096 17 residues pruned to eliminate duplicates Z: 6 3.990 1.605 0.624 0.346 0.800 0.600 N 1.012 Z: 8 2.414 1.453 0.553 0.215 0.571 0.429 CB 0.990 Z: 6 2.806 1.539 0.280 0.476 1.000 1.000 CB 0.653 Z: 25 13.919 1.843 0.389 0.451 0.917 0.583 CA 1.273 25 residues pruned to eliminate duplicates Z: 44 19.244 1.901 0.327 0.412 0.930 0.465 CB 1.371 44 residues pruned to eliminate duplicates 6 1.924 1.219 0.483 0.408 1.000 0.800 CB 0.524 ? Z: 8 9.693 1.676 0.387 0.788 1.000 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 11 5.789 1.715 0.538 0.241 0.800 0.500 CB 1.171 11 residues pruned to eliminate duplicates Z: 25 9.444 1.877 0.507 0.304 0.750 0.417 CB 1.130 25 residues pruned to eliminate duplicates Z: 8 2.038 1.109 0.812 0.281 0.714 0.286 N 0.687 Z: 75 44.225 2.164 0.589 0.577 0.932 0.541 CB 1.489 75 residues pruned to eliminate duplicates Z: 57 21.933 1.948 0.298 0.407 0.929 0.536 CA 1.376 57 residues pruned to eliminate duplicates Z: 32 19.382 1.931 0.389 0.453 0.903 0.581 CA 1.508 32 residues pruned to eliminate duplicates Z: 14 7.235 1.416 0.241 0.435 1.000 0.538 C 1.221 14 residues pruned to eliminate duplicates Z: 22 9.824 1.676 0.349 0.312 0.952 0.714 CB 1.227 22 residues pruned to eliminate duplicates Z: 14 15.360 1.919 0.510 0.673 0.923 0.692 CB 1.357 14 residues pruned to eliminate duplicates Z: 12 7.480 1.788 0.543 0.505 0.909 0.545 CB 0.895 12 residues pruned to eliminate duplicates Z: 8 5.792 1.835 0.221 0.505 0.857 0.286 CB 1.134 8 residues pruned to eliminate duplicates 6 1.172 1.333 0.570 0.100 0.600 0.400 CB 0.696 ? Z: 52 21.747 1.961 0.482 0.359 0.882 0.490 CB 1.382 52 residues pruned to eliminate duplicates Z: 8 2.645 1.355 0.800 0.399 0.714 0.429 N 0.639 Z: 17 8.087 1.833 0.252 0.387 0.875 0.500 CB 1.135 17 residues pruned to eliminate duplicates Z: 11 8.623 1.932 0.667 0.419 0.900 0.500 CB 1.024 11 residues pruned to eliminate duplicates Z: 12 15.668 1.922 0.345 0.867 1.000 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 2.617 1.446 0.111 0.588 1.000 0.600 CB 0.670 Using tripeptides from previous cycle as seeds Z: 8 3.879 1.367 0.284 0.296 1.000 0.429 N 1.050 7 residues pruned to eliminate duplicates Z: 6 6.482 1.548 0.897 0.326 1.000 0.800 C 1.194 6 residues pruned to eliminate duplicates Z: 10 9.653 1.819 0.716 0.425 0.778 0.556 CA 1.433 10 residues pruned to eliminate duplicates Z: 10 9.148 1.795 0.585 0.491 0.889 0.556 CB 1.217 10 residues pruned to eliminate duplicates Z: 7 2.996 1.838 -0.105 0.271 0.667 0.500 CA 1.447 Z: 6 3.181 1.569 0.100 0.258 0.800 0.400 CA 1.359 4 residues pruned to eliminate duplicates Z: 6 2.062 1.341 0.535 0.100 0.800 0.400 CA 0.934 6 residues pruned to eliminate duplicates Z: 7 5.725 1.861 0.702 0.571 0.667 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 14 6.585 1.810 0.332 0.316 0.846 0.538 CB 1.097 9 residues pruned to eliminate duplicates Z: 9 7.579 1.862 0.367 0.503 0.875 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 7 6.424 1.962 0.407 0.571 1.000 0.500 CB 0.887 7 residues pruned to eliminate duplicates Z: 9 4.938 1.757 0.256 0.344 1.000 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 6 2.738 1.683 0.409 0.183 0.600 0.400 CA 1.259 6 residues pruned to eliminate duplicates Z: 16 8.098 1.812 0.248 0.352 0.800 0.400 CA 1.355 16 residues pruned to eliminate duplicates Z: 6 3.176 1.680 -0.281 0.433 1.000 0.600 CB 1.260 6 residues pruned to eliminate duplicates Z: 16 8.247 1.804 0.102 0.327 0.933 0.533 CA 1.387 16 residues pruned to eliminate duplicates Z: 17 9.590 1.850 0.269 0.358 0.812 0.438 CA 1.463 17 residues pruned to eliminate duplicates Z: 7 4.221 1.731 0.221 0.387 0.833 0.333 CA 1.102 7 residues pruned to eliminate duplicates Z: 17 7.739 1.791 0.144 0.327 0.812 0.375 CA 1.407 17 residues pruned to eliminate duplicates Z: 15 10.603 1.853 0.244 0.411 1.000 0.500 CA 1.350 15 residues pruned to eliminate duplicates Z: 6 2.809 1.374 0.229 0.306 1.000 0.400 CB 0.923 6 residues pruned to eliminate duplicates Z: 9 10.529 1.748 0.202 0.643 1.000 0.625 C 1.549 9 residues pruned to eliminate duplicates Z: 8 6.746 1.686 0.545 0.520 1.000 0.429 CA 0.959 Z: 7 5.427 1.476 0.820 0.754 1.000 0.667 CA 0.658 7 residues pruned to eliminate duplicates Z: 7 6.521 1.681 0.629 0.725 1.000 0.667 CA 0.794 7 residues pruned to eliminate duplicates Z: 8 5.119 1.582 0.578 0.641 1.000 0.571 CA 0.680 8 residues pruned to eliminate duplicates Z: 9 6.172 1.631 0.723 0.435 1.000 0.250 CA 0.831 4 residues pruned to eliminate duplicates Z: 6 5.485 1.734 0.447 0.434 0.800 0.200 CB 1.309 5 residues pruned to eliminate duplicates Z: 11 11.324 1.932 0.510 0.513 0.900 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 8 6.818 1.671 0.806 0.510 0.714 0.429 CA 1.184 8 residues pruned to eliminate duplicates Z: 11 9.520 1.878 0.641 0.435 0.900 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 9 8.783 1.553 0.580 0.701 1.000 0.750 CB 1.054 9 residues pruned to eliminate duplicates Z: 12 7.651 1.858 0.720 0.445 0.727 0.636 CB 1.050 12 residues pruned to eliminate duplicates Z: 14 11.735 1.785 0.664 0.483 1.000 0.615 CB 1.115 13 residues pruned to eliminate duplicates Z: 8 11.394 1.734 0.634 0.721 1.000 0.571 CA 1.245 8 residues pruned to eliminate duplicates Z: 6 4.889 1.752 0.121 0.567 0.800 0.200 CB 1.304 6 residues pruned to eliminate duplicates Z: 7 9.447 1.991 0.109 0.683 1.000 0.333 CB 1.476 7 residues pruned to eliminate duplicates Z: 30 16.389 1.923 0.626 0.346 0.862 0.345 CB 1.335 30 residues pruned to eliminate duplicates Z: 25 15.607 1.984 0.439 0.399 0.917 0.583 CA 1.354 25 residues pruned to eliminate duplicates Z: 26 14.897 1.950 0.412 0.417 0.880 0.520 CB 1.341 26 residues pruned to eliminate duplicates Z: 22 14.233 1.912 0.419 0.407 0.905 0.571 CB 1.395 22 residues pruned to eliminate duplicates Z: 26 16.154 1.977 0.462 0.449 0.880 0.560 CB 1.338 26 residues pruned to eliminate duplicates Z: 6 4.677 1.668 0.240 0.448 1.000 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 25 13.685 1.957 0.316 0.433 0.917 0.583 CA 1.268 25 residues pruned to eliminate duplicates Z: 25 15.119 1.970 0.460 0.452 0.833 0.583 CB 1.352 25 residues pruned to eliminate duplicates Z: 19 11.736 1.974 0.287 0.352 0.944 0.611 CA 1.353 19 residues pruned to eliminate duplicates Z: 16 11.177 1.872 0.526 0.459 0.933 0.600 CB 1.129 16 residues pruned to eliminate duplicates Z: 25 14.232 1.952 0.456 0.387 0.917 0.667 CB 1.256 25 residues pruned to eliminate duplicates Z: 25 14.706 1.955 0.400 0.406 0.917 0.542 CA 1.321 25 residues pruned to eliminate duplicates Z: 24 16.306 1.998 0.455 0.400 0.957 0.435 CB 1.358 24 residues pruned to eliminate duplicates Z: 24 15.739 1.986 0.447 0.397 0.957 0.565 CB 1.331 24 residues pruned to eliminate duplicates Z: 25 15.762 1.956 0.415 0.424 0.917 0.667 CB 1.372 25 residues pruned to eliminate duplicates Z: 25 16.624 1.949 0.413 0.426 0.958 0.583 CB 1.388 25 residues pruned to eliminate duplicates Z: 26 15.121 1.974 0.333 0.438 0.920 0.520 CB 1.331 26 residues pruned to eliminate duplicates Z: 26 12.974 1.893 0.326 0.381 0.960 0.560 CB 1.221 26 residues pruned to eliminate duplicates Z: 22 14.822 1.946 0.385 0.481 0.952 0.619 CB 1.285 22 residues pruned to eliminate duplicates Z: 24 12.873 1.891 0.497 0.321 0.870 0.478 CB 1.328 24 residues pruned to eliminate duplicates Z: 25 14.071 1.960 0.421 0.369 0.917 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 27 14.570 1.929 0.403 0.440 0.923 0.577 CB 1.217 27 residues pruned to eliminate duplicates Z: 13 7.184 2.018 0.426 0.154 0.750 0.417 CA 1.469 13 residues pruned to eliminate duplicates Z: 11 7.288 1.861 0.428 0.203 0.900 0.400 CB 1.371 11 residues pruned to eliminate duplicates Z: 11 4.105 1.841 0.167 0.232 0.800 0.400 CB 1.032 11 residues pruned to eliminate duplicates Z: 12 6.634 1.782 0.392 0.433 0.818 0.364 CB 1.057 12 residues pruned to eliminate duplicates Z: 28 14.454 1.965 0.406 0.403 0.815 0.444 CA 1.369 28 residues pruned to eliminate duplicates Z: 14 8.033 1.883 0.561 0.299 0.769 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 29 12.401 1.952 0.500 0.296 0.786 0.500 CB 1.280 29 residues pruned to eliminate duplicates Z: 11 6.655 1.806 0.406 0.321 1.000 0.900 CB 1.009 11 residues pruned to eliminate duplicates Z: 26 11.842 1.841 0.637 0.331 0.760 0.640 CB 1.244 26 residues pruned to eliminate duplicates Z: 27 14.061 1.963 0.410 0.428 0.808 0.654 CA 1.329 27 residues pruned to eliminate duplicates Z: 30 14.180 1.938 0.409 0.365 0.828 0.517 CB 1.348 30 residues pruned to eliminate duplicates Z: 30 12.982 1.933 0.213 0.378 0.793 0.517 CB 1.477 30 residues pruned to eliminate duplicates Z: 19 11.224 1.904 0.635 0.401 0.778 0.611 CA 1.212 19 residues pruned to eliminate duplicates Z: 14 10.387 2.029 0.508 0.364 0.846 0.615 CA 1.288 14 residues pruned to eliminate duplicates Z: 29 15.179 1.970 0.383 0.427 0.857 0.679 CB 1.325 29 residues pruned to eliminate duplicates Z: 8 13.863 2.107 0.697 0.617 1.000 0.857 CA 1.313 8 residues pruned to eliminate duplicates Z: 24 14.550 2.017 0.435 0.454 0.739 0.522 CB 1.485 24 residues pruned to eliminate duplicates Z: 18 14.117 2.061 0.446 0.437 0.882 0.647 CA 1.390 18 residues pruned to eliminate duplicates Z: 19 11.837 1.916 0.401 0.408 0.833 0.556 CA 1.374 19 residues pruned to eliminate duplicates Z: 9 11.185 2.193 0.323 0.520 0.875 0.875 CA 1.527 9 residues pruned to eliminate duplicates Z: 32 17.372 2.016 0.485 0.361 0.903 0.677 CB 1.341 32 residues pruned to eliminate duplicates Z: 32 15.402 1.999 0.392 0.393 0.806 0.710 CB 1.381 32 residues pruned to eliminate duplicates Z: 30 14.882 2.034 0.436 0.302 0.862 0.517 CB 1.369 30 residues pruned to eliminate duplicates Z: 33 18.194 1.925 0.549 0.390 0.875 0.562 CA 1.385 33 residues pruned to eliminate duplicates Z: 17 14.423 2.069 0.364 0.489 0.875 0.500 CA 1.476 17 residues pruned to eliminate duplicates Z: 29 13.631 1.914 0.385 0.395 0.857 0.643 CA 1.266 29 residues pruned to eliminate duplicates Z: 21 11.933 1.899 0.428 0.461 0.800 0.600 CB 1.280 21 residues pruned to eliminate duplicates Z: 8 5.575 1.914 0.298 0.420 0.714 0.429 CB 1.291 8 residues pruned to eliminate duplicates Z: 18 12.735 1.983 0.453 0.473 0.882 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 17 10.138 1.997 0.238 0.424 0.875 0.438 CB 1.268 17 residues pruned to eliminate duplicates Z: 19 13.500 2.001 0.387 0.432 0.889 0.500 CB 1.384 19 residues pruned to eliminate duplicates Z: 20 10.312 1.968 0.232 0.421 0.842 0.421 CB 1.257 20 residues pruned to eliminate duplicates Z: 14 10.122 1.973 0.268 0.488 0.923 0.538 CB 1.230 14 residues pruned to eliminate duplicates Z: 13 10.665 1.984 0.405 0.447 0.917 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 14 9.214 1.950 0.167 0.465 0.923 0.462 CB 1.261 14 residues pruned to eliminate duplicates Z: 15 12.290 1.964 0.462 0.452 0.857 0.429 CB 1.402 15 residues pruned to eliminate duplicates Z: 22 12.647 1.977 0.383 0.452 0.857 0.429 CB 1.237 22 residues pruned to eliminate duplicates Z: 15 11.545 1.965 0.438 0.429 0.929 0.500 CB 1.266 15 residues pruned to eliminate duplicates Z: 45 18.417 1.963 0.419 0.370 0.864 0.614 CB 1.326 45 residues pruned to eliminate duplicates Z: 45 17.073 1.992 0.401 0.374 0.841 0.545 CB 1.255 45 residues pruned to eliminate duplicates Z: 38 15.205 1.994 0.410 0.378 0.784 0.568 CB 1.291 38 residues pruned to eliminate duplicates Z: 21 13.289 1.959 0.389 0.396 0.900 0.550 CB 1.353 21 residues pruned to eliminate duplicates Z: 7 5.277 1.663 0.539 0.341 0.833 0.667 N 1.201 7 residues pruned to eliminate duplicates Z: 7 3.235 1.769 0.112 0.418 0.667 0.167 CB 1.097 7 residues pruned to eliminate duplicates Z: 10 5.602 1.776 0.471 0.276 0.667 0.333 CB 1.381 10 residues pruned to eliminate duplicates Z: 19 13.222 2.041 0.289 0.394 0.889 0.611 CB 1.492 19 residues pruned to eliminate duplicates Z: 17 16.108 2.091 0.430 0.454 0.938 0.562 CB 1.505 17 residues pruned to eliminate duplicates Z: 14 13.382 2.021 0.603 0.517 0.846 0.769 CB 1.332 14 residues pruned to eliminate duplicates Z: 15 12.186 2.074 0.395 0.483 0.857 0.643 CB 1.336 15 residues pruned to eliminate duplicates Z: 13 14.348 2.061 0.527 0.554 0.917 0.750 CB 1.362 13 residues pruned to eliminate duplicates Z: 13 15.243 2.064 0.573 0.573 0.917 0.917 CB 1.377 13 residues pruned to eliminate duplicates Z: 12 17.545 2.152 0.637 0.582 1.000 1.000 CB 1.387 12 residues pruned to eliminate duplicates Z: 18 12.835 2.009 0.361 0.432 0.882 0.706 CB 1.384 18 residues pruned to eliminate duplicates Z: 16 13.367 2.027 0.516 0.418 0.933 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 23 13.019 1.932 0.438 0.379 0.909 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 14 14.666 2.004 0.454 0.528 1.000 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 18 13.604 2.076 0.424 0.401 0.824 0.647 CB 1.505 18 residues pruned to eliminate duplicates Z: 21 14.789 2.126 0.287 0.413 0.900 0.600 CB 1.471 21 residues pruned to eliminate duplicates Z: 20 10.875 1.885 0.260 0.487 0.895 0.632 CB 1.190 20 residues pruned to eliminate duplicates Z: 9 5.828 1.917 0.194 0.418 0.750 0.375 CB 1.308 9 residues pruned to eliminate duplicates Z: 11 8.735 2.078 0.366 0.376 0.800 0.600 CB 1.388 11 residues pruned to eliminate duplicates Z: 15 6.911 1.794 0.537 0.324 0.643 0.571 CB 1.265 15 residues pruned to eliminate duplicates Z: 13 9.561 1.987 0.360 0.410 0.917 0.417 CB 1.224 13 residues pruned to eliminate duplicates Z: 14 8.928 1.924 0.646 0.290 0.692 0.462 CB 1.430 14 residues pruned to eliminate duplicates Z: 34 14.033 1.930 0.493 0.352 0.788 0.515 CB 1.262 34 residues pruned to eliminate duplicates Z: 8 7.998 1.972 0.723 0.435 0.714 0.429 CB 1.331 8 residues pruned to eliminate duplicates Z: 6 2.826 1.563 1.002 0.420 0.600 0.400 N 0.732 6 residues pruned to eliminate duplicates Z: 66 37.329 2.114 0.579 0.561 0.892 0.523 CB 1.464 66 residues pruned to eliminate duplicates Z: 69 45.377 2.194 0.675 0.568 0.956 0.588 CB 1.467 69 residues pruned to eliminate duplicates Z: 31 45.609 2.283 0.863 0.751 0.967 0.600 CB 1.619 31 residues pruned to eliminate duplicates Z: 76 51.551 2.199 0.685 0.574 0.973 0.573 CB 1.537 76 residues pruned to eliminate duplicates Z: 38 33.766 2.192 0.642 0.594 1.000 0.568 CA 1.411 38 residues pruned to eliminate duplicates Z: 30 23.541 2.073 0.703 0.493 0.897 0.621 CA 1.391 30 residues pruned to eliminate duplicates Z: 69 45.291 2.187 0.647 0.553 0.956 0.691 CB 1.516 69 residues pruned to eliminate duplicates Z: 77 48.083 2.169 0.665 0.560 0.947 0.592 CB 1.522 77 residues pruned to eliminate duplicates Z: 33 41.679 2.247 0.829 0.694 1.000 0.562 CB 1.501 33 residues pruned to eliminate duplicates Z: 32 38.079 2.271 0.732 0.705 0.935 0.645 CB 1.543 32 residues pruned to eliminate duplicates Z: 68 46.085 2.159 0.645 0.611 0.940 0.672 CB 1.518 68 residues pruned to eliminate duplicates Z: 37 42.073 2.222 0.824 0.652 1.000 0.556 CA 1.501 37 residues pruned to eliminate duplicates Z: 49 38.927 2.144 0.753 0.609 0.958 0.625 CB 1.406 49 residues pruned to eliminate duplicates Z: 49 42.799 2.147 0.762 0.630 1.000 0.562 CB 1.445 49 residues pruned to eliminate duplicates Z: 41 39.943 2.207 0.736 0.664 0.900 0.625 CB 1.573 41 residues pruned to eliminate duplicates Z: 99 49.563 2.165 0.638 0.532 0.918 0.571 CB 1.490 99 residues pruned to eliminate duplicates Z: 46 43.805 2.208 0.690 0.679 0.956 0.578 CA 1.552 46 residues pruned to eliminate duplicates Z: 73 49.695 2.190 0.757 0.587 0.931 0.625 CB 1.505 73 residues pruned to eliminate duplicates Z: 31 44.553 2.280 0.840 0.725 1.000 0.533 CB 1.582 31 residues pruned to eliminate duplicates Z: 60 41.303 2.156 0.657 0.577 0.966 0.475 CB 1.446 60 residues pruned to eliminate duplicates Z: 66 54.903 2.210 0.894 0.597 0.938 0.646 CB 1.581 66 residues pruned to eliminate duplicates Z: 35 33.363 2.152 0.793 0.579 0.882 0.441 CA 1.557 35 residues pruned to eliminate duplicates Z: 32 38.543 2.247 0.819 0.689 0.903 0.516 CB 1.577 32 residues pruned to eliminate duplicates Z: 46 43.338 2.203 0.797 0.663 0.933 0.578 CA 1.503 46 residues pruned to eliminate duplicates Z: 35 35.425 2.148 0.820 0.615 0.882 0.529 CA 1.580 35 residues pruned to eliminate duplicates Z: 47 39.086 2.175 0.820 0.605 0.870 0.609 CA 1.515 47 residues pruned to eliminate duplicates Z: 34 37.812 2.227 0.752 0.670 0.939 0.636 CA 1.535 34 residues pruned to eliminate duplicates Z: 66 43.929 2.190 0.641 0.566 0.938 0.600 CB 1.515 66 residues pruned to eliminate duplicates Z: 49 35.541 2.103 0.687 0.553 0.896 0.542 CA 1.533 49 residues pruned to eliminate duplicates Z: 68 51.211 2.221 0.775 0.578 0.955 0.657 CB 1.542 68 residues pruned to eliminate duplicates Z: 75 49.425 2.184 0.724 0.562 0.905 0.581 CA 1.586 76 residues pruned to eliminate duplicates Z: 16 14.532 1.869 0.393 0.677 1.000 0.733 CA 1.224 16 residues pruned to eliminate duplicates Z: 56 39.193 2.194 0.558 0.588 0.945 0.618 CB 1.503 56 residues pruned to eliminate duplicates Z: 37 28.879 2.161 0.683 0.471 0.917 0.472 CB 1.488 37 residues pruned to eliminate duplicates Z: 76 48.663 2.199 0.716 0.561 0.933 0.507 CB 1.503 76 residues pruned to eliminate duplicates Z: 44 30.574 2.135 0.663 0.512 0.884 0.488 CB 1.469 44 residues pruned to eliminate duplicates Z: 44 31.141 2.092 0.771 0.462 0.930 0.442 CB 1.433 43 residues pruned to eliminate duplicates Z: 10 15.336 2.212 0.153 0.867 1.000 0.667 CB 1.466 10 residues pruned to eliminate duplicates Z: 72 45.678 2.173 0.671 0.544 0.930 0.479 CB 1.538 72 residues pruned to eliminate duplicates Z: 42 25.776 2.143 0.589 0.464 0.878 0.488 CB 1.397 42 residues pruned to eliminate duplicates Z: 78 47.519 2.150 0.751 0.543 0.935 0.455 CB 1.475 78 residues pruned to eliminate duplicates Z: 44 30.464 2.160 0.616 0.488 0.953 0.488 CB 1.414 44 residues pruned to eliminate duplicates Z: 40 22.041 2.115 0.548 0.452 0.897 0.513 CB 1.261 40 residues pruned to eliminate duplicates Z: 77 53.729 2.203 0.752 0.572 0.947 0.579 CB 1.573 78 residues pruned to eliminate duplicates Z: 15 10.591 1.866 0.562 0.684 0.714 0.214 CB 1.149 15 residues pruned to eliminate duplicates Z: 31 24.900 2.178 0.827 0.393 0.867 0.400 CB 1.476 31 residues pruned to eliminate duplicates Z: 31 26.057 2.159 0.754 0.415 0.933 0.467 CB 1.471 31 residues pruned to eliminate duplicates Z: 83 39.104 2.090 0.725 0.500 0.866 0.500 CB 1.384 83 residues pruned to eliminate duplicates Z: 85 53.206 2.179 0.766 0.552 0.940 0.619 CB 1.525 85 residues pruned to eliminate duplicates Z: 25 18.039 2.129 0.665 0.346 0.917 0.500 CB 1.338 25 residues pruned to eliminate duplicates Z: 23 24.904 2.213 0.735 0.402 1.000 0.500 CB 1.533 23 residues pruned to eliminate duplicates Z: 76 48.335 2.188 0.744 0.559 0.920 0.533 CB 1.501 76 residues pruned to eliminate duplicates Z: 23 25.910 2.203 0.902 0.417 0.909 0.545 CB 1.582 23 residues pruned to eliminate duplicates Z: 32 24.547 2.104 0.850 0.411 0.839 0.452 CB 1.483 32 residues pruned to eliminate duplicates Z: 22 20.559 2.140 0.876 0.462 0.857 0.524 CB 1.355 22 residues pruned to eliminate duplicates Z: 15 16.471 2.175 0.778 0.399 0.857 0.643 CB 1.477 15 residues pruned to eliminate duplicates Z: 77 49.626 2.191 0.672 0.551 0.947 0.553 CB 1.562 77 residues pruned to eliminate duplicates Z: 47 31.458 2.141 0.666 0.481 0.891 0.522 CB 1.487 47 residues pruned to eliminate duplicates Z: 32 26.483 2.094 0.771 0.416 0.968 0.516 CB 1.446 32 residues pruned to eliminate duplicates Z: 31 26.319 2.153 0.824 0.391 0.933 0.600 CB 1.471 31 residues pruned to eliminate duplicates Z: 75 48.052 2.189 0.701 0.523 0.959 0.486 CB 1.529 75 residues pruned to eliminate duplicates Z: 18 18.673 2.143 0.764 0.412 0.941 0.529 CB 1.395 18 residues pruned to eliminate duplicates Z: 24 16.280 2.113 0.579 0.306 0.913 0.609 CB 1.383 24 residues pruned to eliminate duplicates Z: 72 45.397 2.149 0.795 0.550 0.901 0.479 CB 1.476 72 residues pruned to eliminate duplicates Z: 33 21.025 2.087 0.632 0.405 0.844 0.531 CB 1.429 33 residues pruned to eliminate duplicates Z: 75 47.144 2.189 0.706 0.570 0.946 0.446 CB 1.450 75 residues pruned to eliminate duplicates Z: 33 23.122 2.010 0.669 0.530 0.906 0.531 CB 1.306 33 residues pruned to eliminate duplicates Z: 9 5.148 1.918 0.158 0.272 0.750 0.500 CB 1.416 9 residues pruned to eliminate duplicates Z: 8 3.572 1.745 0.113 0.281 0.571 0.429 CB 1.556 8 residues pruned to eliminate duplicates Z: 9 8.114 1.777 0.485 0.284 1.000 0.375 CB 1.386 6 residues pruned to eliminate duplicates Z: 10 11.187 2.013 0.472 0.604 0.778 0.222 CB 1.465 10 residues pruned to eliminate duplicates Z: 7 5.195 1.809 0.311 0.368 0.667 0.333 CB 1.546 7 residues pruned to eliminate duplicates Z: 8 7.176 1.617 0.818 0.330 0.857 0.714 N 1.297 8 residues pruned to eliminate duplicates Z: 15 13.886 1.981 0.308 0.485 0.929 0.286 CB 1.566 15 residues pruned to eliminate duplicates Z: 22 12.904 1.931 0.492 0.379 0.810 0.381 CB 1.373 22 residues pruned to eliminate duplicates Z: 18 15.592 1.933 0.500 0.459 0.882 0.588 CA 1.540 18 residues pruned to eliminate duplicates Z: 16 10.028 1.960 0.229 0.393 0.800 0.467 CA 1.505 16 residues pruned to eliminate duplicates Z: 15 13.802 2.015 0.278 0.499 0.929 0.429 CB 1.543 15 residues pruned to eliminate duplicates Z: 15 12.517 1.992 0.241 0.465 0.929 0.357 CA 1.510 15 residues pruned to eliminate duplicates Z: 31 17.721 1.958 0.386 0.423 0.867 0.500 CA 1.491 31 residues pruned to eliminate duplicates Z: 32 17.506 1.955 0.441 0.390 0.839 0.484 CA 1.496 32 residues pruned to eliminate duplicates Z: 31 15.640 1.974 0.298 0.393 0.867 0.567 CA 1.440 31 residues pruned to eliminate duplicates Z: 17 12.881 1.874 0.369 0.500 0.938 0.312 CA 1.338 17 residues pruned to eliminate duplicates Z: 32 18.159 1.984 0.464 0.419 0.806 0.581 CA 1.515 32 residues pruned to eliminate duplicates Z: 14 11.934 1.994 0.429 0.392 0.846 0.462 CA 1.539 14 residues pruned to eliminate duplicates Z: 30 18.688 1.995 0.342 0.416 0.931 0.517 CA 1.519 30 residues pruned to eliminate duplicates Z: 21 12.272 1.879 0.471 0.366 0.800 0.450 CB 1.433 21 residues pruned to eliminate duplicates Z: 19 15.698 1.956 0.557 0.422 0.889 0.222 CA 1.482 19 residues pruned to eliminate duplicates Z: 22 12.800 1.860 0.488 0.390 0.857 0.429 CB 1.322 22 residues pruned to eliminate duplicates Z: 22 15.109 1.884 0.629 0.363 0.857 0.476 CB 1.452 22 residues pruned to eliminate duplicates Z: 33 17.610 1.955 0.388 0.401 0.875 0.469 CA 1.455 33 residues pruned to eliminate duplicates Z: 33 19.745 1.952 0.432 0.463 0.875 0.500 CB 1.482 33 residues pruned to eliminate duplicates Z: 31 17.864 1.978 0.326 0.472 0.900 0.467 CB 1.422 31 residues pruned to eliminate duplicates Z: 36 15.470 1.860 0.463 0.369 0.829 0.514 CA 1.334 36 residues pruned to eliminate duplicates Z: 30 17.516 1.990 0.353 0.436 0.897 0.552 CB 1.439 30 residues pruned to eliminate duplicates Z: 19 13.280 1.848 0.460 0.460 0.944 0.611 CA 1.279 18 residues pruned to eliminate duplicates Z: 6 4.389 1.595 0.683 0.343 0.800 0.600 CA 1.084 6 residues pruned to eliminate duplicates Z: 32 14.687 1.877 0.311 0.394 0.903 0.484 CA 1.328 32 residues pruned to eliminate duplicates Z: 31 18.484 1.959 0.383 0.410 0.933 0.500 CA 1.467 31 residues pruned to eliminate duplicates Z: 34 20.103 1.925 0.503 0.434 0.909 0.576 CB 1.425 34 residues pruned to eliminate duplicates Z: 19 22.568 2.065 0.500 0.821 0.944 0.667 CA 1.376 19 residues pruned to eliminate duplicates Z: 66 41.557 2.116 0.578 0.585 0.938 0.600 CA 1.516 66 residues pruned to eliminate duplicates Z: 23 15.982 2.065 0.348 0.538 0.864 0.591 CA 1.366 23 residues pruned to eliminate duplicates Z: 42 36.529 2.114 0.643 0.683 0.951 0.634 CA 1.460 42 residues pruned to eliminate duplicates Z: 67 36.918 2.095 0.552 0.548 0.909 0.606 CA 1.467 67 residues pruned to eliminate duplicates Z: 44 31.312 2.084 0.447 0.638 0.930 0.605 CA 1.496 44 residues pruned to eliminate duplicates Z: 28 21.898 2.032 0.508 0.654 0.926 0.556 CA 1.287 28 residues pruned to eliminate duplicates Z: 39 26.885 2.092 0.497 0.587 0.842 0.553 CA 1.521 39 residues pruned to eliminate duplicates Z: 68 40.042 2.094 0.510 0.559 0.955 0.552 CA 1.530 68 residues pruned to eliminate duplicates Z: 72 42.429 2.112 0.602 0.589 0.930 0.606 CA 1.470 72 residues pruned to eliminate duplicates Z: 16 22.332 2.054 0.678 0.874 0.933 0.533 CA 1.304 16 residues pruned to eliminate duplicates Z: 16 28.180 2.121 0.787 0.893 0.933 0.600 CA 1.476 16 residues pruned to eliminate duplicates Z: 62 32.453 2.071 0.539 0.506 0.869 0.557 CA 1.491 62 residues pruned to eliminate duplicates Z: 65 43.378 2.110 0.573 0.563 0.969 0.516 CA 1.587 65 residues pruned to eliminate duplicates Z: 39 29.395 2.016 0.670 0.645 0.842 0.632 CB 1.470 39 residues pruned to eliminate duplicates Z: 69 39.579 2.070 0.567 0.551 0.912 0.559 CA 1.544 69 residues pruned to eliminate duplicates Z: 44 33.516 2.066 0.593 0.624 0.930 0.512 CB 1.485 44 residues pruned to eliminate duplicates Z: 61 36.698 2.091 0.583 0.567 0.900 0.550 CA 1.491 61 residues pruned to eliminate duplicates Z: 17 21.945 2.083 0.590 0.824 0.875 0.375 CA 1.430 17 residues pruned to eliminate duplicates Z: 64 42.260 2.100 0.635 0.604 0.905 0.540 CB 1.552 64 residues pruned to eliminate duplicates Z: 43 34.603 2.072 0.671 0.643 0.905 0.643 CB 1.491 43 residues pruned to eliminate duplicates Z: 72 38.781 2.094 0.570 0.567 0.873 0.549 CA 1.502 72 residues pruned to eliminate duplicates Z: 48 26.813 1.987 0.571 0.573 0.851 0.383 CB 1.372 48 residues pruned to eliminate duplicates Z: 66 42.055 2.112 0.550 0.580 0.938 0.492 CA 1.571 66 residues pruned to eliminate duplicates Z: 15 20.733 2.124 0.683 0.614 1.000 0.429 CB 1.391 15 residues pruned to eliminate duplicates Z: 43 37.926 2.111 0.727 0.653 0.929 0.643 CA 1.499 43 residues pruned to eliminate duplicates Z: 16 15.176 2.018 0.489 0.576 0.933 0.667 CB 1.299 16 residues pruned to eliminate duplicates Z: 16 15.779 2.041 0.527 0.589 0.933 0.533 CB 1.286 16 residues pruned to eliminate duplicates Z: 15 18.110 2.104 0.516 0.614 1.000 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 39 29.572 2.107 0.643 0.490 0.921 0.605 CB 1.521 39 residues pruned to eliminate duplicates Z: 70 39.798 2.081 0.539 0.550 0.942 0.507 CA 1.512 70 residues pruned to eliminate duplicates Z: 60 40.733 2.111 0.560 0.589 0.949 0.508 CA 1.558 60 residues pruned to eliminate duplicates Z: 67 41.537 2.074 0.583 0.548 0.939 0.485 CA 1.582 67 residues pruned to eliminate duplicates Z: 66 40.459 2.126 0.480 0.599 0.938 0.554 CA 1.547 66 residues pruned to eliminate duplicates Z: 54 35.766 2.066 0.532 0.587 0.943 0.509 CA 1.514 54 residues pruned to eliminate duplicates Z: 29 16.162 1.985 0.496 0.297 0.857 0.429 CA 1.506 29 residues pruned to eliminate duplicates Z: 47 39.997 2.095 0.635 0.680 0.978 0.543 CA 1.491 47 residues pruned to eliminate duplicates Z: 25 26.928 2.098 0.589 0.571 1.000 0.625 CA 1.540 25 residues pruned to eliminate duplicates Z: 45 30.118 2.094 0.545 0.516 0.909 0.636 CA 1.518 45 residues pruned to eliminate duplicates Z: 6 4.210 2.006 -0.079 0.409 1.000 0.200 CA 1.121 6 residues pruned to eliminate duplicates Z: 45 27.638 2.063 0.530 0.473 0.909 0.523 CA 1.493 45 residues pruned to eliminate duplicates Z: 26 15.933 2.034 0.454 0.399 0.840 0.440 CA 1.427 26 residues pruned to eliminate duplicates Z: 57 38.857 2.114 0.620 0.573 0.929 0.375 CA 1.522 57 residues pruned to eliminate duplicates Z: 73 39.105 2.088 0.528 0.552 0.903 0.472 CA 1.522 73 residues pruned to eliminate duplicates Z: 16 15.323 2.169 0.475 0.357 0.867 0.600 CA 1.664 16 residues pruned to eliminate duplicates Z: 19 12.809 2.121 0.461 0.334 0.833 0.389 CA 1.401 19 residues pruned to eliminate duplicates Z: 20 19.585 2.107 0.562 0.522 0.895 0.632 CA 1.494 20 residues pruned to eliminate duplicates Z: 24 13.758 2.071 0.415 0.396 0.783 0.522 CA 1.397 24 residues pruned to eliminate duplicates Z: 53 32.011 2.052 0.579 0.597 0.846 0.481 CA 1.476 53 residues pruned to eliminate duplicates Z: 72 41.874 2.113 0.575 0.577 0.915 0.493 CA 1.515 72 residues pruned to eliminate duplicates Z: 24 17.066 2.096 0.528 0.436 0.826 0.565 CA 1.437 24 residues pruned to eliminate duplicates Z: 19 14.713 2.053 0.519 0.388 0.889 0.556 CA 1.409 19 residues pruned to eliminate duplicates Z: 26 16.208 1.978 0.515 0.426 0.920 0.520 CA 1.270 25 residues pruned to eliminate duplicates Z: 9 10.092 1.759 0.512 0.770 0.875 0.625 CA 1.207 9 residues pruned to eliminate duplicates Z: 51 28.985 2.038 0.504 0.485 0.920 0.480 CA 1.475 70 residues pruned to eliminate duplicates Z: 9 13.101 1.827 0.489 0.837 1.000 0.750 CA 1.273 9 residues pruned to eliminate duplicates Z: 69 39.664 2.064 0.675 0.553 0.897 0.574 CA 1.473 69 residues pruned to eliminate duplicates Z: 25 16.515 2.037 0.455 0.437 0.833 0.542 CA 1.458 25 residues pruned to eliminate duplicates Z: 45 19.800 1.860 0.507 0.474 0.773 0.432 CA 1.414 45 residues pruned to eliminate duplicates Z: 17 12.341 1.870 0.520 0.552 0.875 0.688 CA 1.180 17 residues pruned to eliminate duplicates Z: 74 38.829 2.059 0.583 0.541 0.918 0.452 CA 1.459 74 residues pruned to eliminate duplicates 6 1.328 1.874 0.091 0.228 0.400 0.400 CB 0.998 ? Z: 6 3.201 1.569 0.592 0.417 0.800 0.400 CB 0.781 6 residues pruned to eliminate duplicates Z: 10 5.843 2.111 0.269 0.395 0.667 0.333 CB 1.219 17 residues pruned to eliminate duplicates Z: 6 2.374 1.363 0.229 0.410 1.000 0.600 N 0.697 6 residues pruned to eliminate duplicates Z: 10 9.667 1.980 0.425 0.452 0.889 0.444 CA 1.349 8 residues pruned to eliminate duplicates Z: 7 7.149 1.831 0.523 0.445 0.833 0.167 CA 1.330 7 residues pruned to eliminate duplicates Z: 14 7.124 2.102 0.330 0.318 0.692 0.462 CA 1.248 14 residues pruned to eliminate duplicates Z: 10 11.155 2.136 0.402 0.320 1.000 0.333 CA 1.515 10 residues pruned to eliminate duplicates Z: 64 40.048 2.028 0.677 0.612 0.952 0.651 CB 1.401 64 residues pruned to eliminate duplicates Z: 60 38.466 2.025 0.748 0.586 0.949 0.627 CA 1.373 60 residues pruned to eliminate duplicates Z: 7 5.712 1.841 0.068 0.238 1.000 0.333 CA 1.609 7 residues pruned to eliminate duplicates Z: 38 31.160 2.076 0.613 0.579 0.973 0.757 CA 1.458 43 residues pruned to eliminate duplicates 6 1.503 1.329 0.109 0.305 0.600 0.400 CA 0.943 ? Z: 6 6.667 1.636 1.092 0.291 0.800 0.600 N 1.376 6 residues pruned to eliminate duplicates Z: 65 40.335 2.001 0.682 0.617 0.953 0.703 CA 1.407 44 residues pruned to eliminate duplicates Z: 6 3.520 1.482 0.816 0.394 0.800 0.600 CA 0.818 Z: 6 4.886 1.717 0.735 0.357 1.000 0.400 CA 0.856 Z: 21 28.635 2.104 0.529 0.824 1.000 0.800 CB 1.503 21 residues pruned to eliminate duplicates Z: 63 42.158 2.055 0.613 0.626 0.968 0.677 CB 1.483 53 residues pruned to eliminate duplicates Z: 21 31.745 1.965 0.774 0.877 1.000 0.800 CB 1.478 21 residues pruned to eliminate duplicates Z: 36 30.926 2.025 0.627 0.673 0.943 0.657 CB 1.436 36 residues pruned to eliminate duplicates Z: 29 33.662 2.105 0.795 0.683 0.964 0.750 CA 1.476 29 residues pruned to eliminate duplicates Z: 33 34.418 2.084 0.715 0.715 0.938 0.688 CB 1.495 33 residues pruned to eliminate duplicates Z: 24 24.300 2.097 0.782 0.590 1.000 0.565 CB 1.244 24 residues pruned to eliminate duplicates Z: 64 42.859 2.040 0.782 0.548 0.968 0.524 CB 1.464 64 residues pruned to eliminate duplicates Z: 34 28.791 2.146 0.752 0.521 0.848 0.636 CB 1.540 34 residues pruned to eliminate duplicates Z: 35 28.805 2.027 0.705 0.646 0.941 0.618 CB 1.325 35 residues pruned to eliminate duplicates Z: 41 30.760 2.073 0.707 0.540 0.925 0.525 CB 1.429 41 residues pruned to eliminate duplicates Z: 29 32.675 2.124 0.714 0.665 0.964 0.607 CB 1.510 29 residues pruned to eliminate duplicates Z: 34 32.594 2.063 0.762 0.694 0.939 0.697 CB 1.392 34 residues pruned to eliminate duplicates Z: 33 31.815 2.060 0.643 0.717 0.969 0.719 CB 1.409 33 residues pruned to eliminate duplicates Z: 63 45.136 2.059 0.805 0.608 0.968 0.629 CB 1.439 63 residues pruned to eliminate duplicates Z: 30 30.297 2.060 0.696 0.671 0.966 0.655 CB 1.424 30 residues pruned to eliminate duplicates Z: 13 8.755 1.743 0.502 0.451 0.833 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 63 41.321 2.026 0.783 0.576 0.952 0.677 CB 1.418 47 residues pruned to eliminate duplicates Z: 21 33.545 2.073 0.703 0.929 1.000 0.750 CB 1.487 21 residues pruned to eliminate duplicates Z: 49 38.077 1.959 0.815 0.680 0.979 0.583 CB 1.338 49 residues pruned to eliminate duplicates Z: 46 35.182 1.973 0.843 0.674 0.956 0.667 CB 1.285 46 residues pruned to eliminate duplicates Z: 36 24.830 1.967 0.638 0.523 0.886 0.686 CB 1.437 36 residues pruned to eliminate duplicates Z: 35 32.956 2.041 0.834 0.670 0.941 0.765 CB 1.371 35 residues pruned to eliminate duplicates Z: 30 23.736 1.904 0.779 0.651 0.931 0.655 CB 1.214 30 residues pruned to eliminate duplicates Z: 64 42.000 2.033 0.709 0.626 0.937 0.603 CB 1.445 64 residues pruned to eliminate duplicates Z: 23 18.344 1.834 0.485 0.589 1.000 0.682 CB 1.318 23 residues pruned to eliminate duplicates Z: 38 24.793 1.818 0.701 0.609 0.946 0.649 CB 1.256 38 residues pruned to eliminate duplicates Z: 50 34.331 1.958 0.852 0.646 0.918 0.551 CB 1.285 15 residues pruned to eliminate duplicates Z: 11 13.929 1.778 0.741 0.795 0.900 0.500 CA 1.221 11 residues pruned to eliminate duplicates Z: 23 14.356 1.846 0.413 0.562 0.864 0.545 CA 1.280 23 residues pruned to eliminate duplicates Z: 52 40.261 2.021 0.797 0.648 0.961 0.627 CB 1.407 52 residues pruned to eliminate duplicates Z: 52 34.663 1.971 0.642 0.675 0.941 0.667 CB 1.356 52 residues pruned to eliminate duplicates Z: 62 32.454 2.012 0.543 0.557 0.918 0.541 CB 1.379 62 residues pruned to eliminate duplicates Z: 51 37.705 2.002 0.740 0.655 0.980 0.560 CB 1.353 51 residues pruned to eliminate duplicates Z: 18 19.073 1.789 0.605 0.703 1.000 0.412 CB 1.339 18 residues pruned to eliminate duplicates Z: 63 42.789 2.015 0.699 0.619 0.984 0.661 CB 1.442 41 residues pruned to eliminate duplicates Z: 6 3.218 1.794 -0.215 0.452 1.000 0.800 CA 1.073 6 residues pruned to eliminate duplicates Z: 15 10.551 1.977 0.140 0.381 1.000 0.714 CB 1.420 15 residues pruned to eliminate duplicates Z: 18 9.562 1.939 0.142 0.332 1.000 0.529 CB 1.259 18 residues pruned to eliminate duplicates Z: 14 10.779 1.953 0.225 0.435 0.923 0.615 CA 1.447 14 residues pruned to eliminate duplicates Z: 40 16.340 1.794 0.405 0.453 0.974 0.641 CB 1.117 31 residues pruned to eliminate duplicates 6 1.383 1.500 0.040 0.306 1.000 0.600 CB 0.492 ? Z: 6 4.079 1.888 0.147 0.432 1.000 0.200 CA 0.904 6 residues pruned to eliminate duplicates Z: 27 11.079 1.933 0.201 0.344 0.846 0.654 CB 1.311 27 residues pruned to eliminate duplicates Z: 28 11.548 1.906 0.141 0.398 0.889 0.556 CB 1.281 28 residues pruned to eliminate duplicates Z: 17 7.406 1.900 0.096 0.333 0.875 0.500 CB 1.221 17 residues pruned to eliminate duplicates Z: 27 10.410 1.925 0.090 0.385 0.885 0.500 CB 1.242 27 residues pruned to eliminate duplicates Z: 27 12.236 1.929 0.159 0.407 0.923 0.577 CB 1.281 27 residues pruned to eliminate duplicates Z: 46 22.682 2.042 0.380 0.378 0.911 0.556 CB 1.499 46 residues pruned to eliminate duplicates Z: 15 12.423 1.995 0.228 0.386 1.000 0.500 CA 1.530 15 residues pruned to eliminate duplicates Z: 29 17.246 1.990 0.397 0.400 0.929 0.607 CA 1.402 29 residues pruned to eliminate duplicates Z: 15 15.267 1.964 0.449 0.475 0.929 0.500 CB 1.583 15 residues pruned to eliminate duplicates Z: 47 21.112 1.932 0.380 0.425 0.913 0.587 CA 1.383 47 residues pruned to eliminate duplicates Z: 44 23.655 2.019 0.397 0.420 0.907 0.581 CA 1.534 44 residues pruned to eliminate duplicates Z: 12 12.817 2.091 0.463 0.425 0.909 0.545 CA 1.503 12 residues pruned to eliminate duplicates Z: 15 14.695 1.990 0.519 0.466 0.929 0.500 CB 1.448 15 residues pruned to eliminate duplicates Z: 50 18.832 1.960 0.279 0.383 0.878 0.531 CA 1.386 50 residues pruned to eliminate duplicates Z: 28 13.203 1.975 0.229 0.407 0.889 0.556 CA 1.297 28 residues pruned to eliminate duplicates Z: 31 16.395 1.950 0.282 0.434 0.933 0.533 CA 1.373 31 residues pruned to eliminate duplicates Z: 50 23.404 2.023 0.373 0.400 0.918 0.571 CB 1.456 50 residues pruned to eliminate duplicates Z: 30 14.731 1.929 0.170 0.443 0.931 0.586 CA 1.382 30 residues pruned to eliminate duplicates Z: 26 21.212 2.034 0.563 0.494 0.960 0.640 CB 1.399 26 residues pruned to eliminate duplicates Z: 28 18.890 2.023 0.423 0.458 0.926 0.667 CA 1.424 28 residues pruned to eliminate duplicates Z: 30 15.650 1.928 0.326 0.401 0.931 0.483 CB 1.354 30 residues pruned to eliminate duplicates Z: 36 22.560 1.970 0.579 0.420 0.914 0.486 CB 1.457 36 residues pruned to eliminate duplicates Z: 26 17.066 1.974 0.380 0.519 0.920 0.600 CA 1.337 26 residues pruned to eliminate duplicates Z: 50 23.392 1.926 0.503 0.403 0.837 0.551 CB 1.528 50 residues pruned to eliminate duplicates Z: 10 8.823 1.842 0.286 0.537 0.778 0.556 CB 1.540 10 residues pruned to eliminate duplicates Z: 39 18.640 1.982 0.462 0.362 0.868 0.605 CA 1.395 39 residues pruned to eliminate duplicates Z: 19 7.726 1.822 0.281 0.282 0.833 0.389 CB 1.198 19 residues pruned to eliminate duplicates Z: 25 11.680 1.847 0.303 0.363 0.875 0.375 CA 1.312 25 residues pruned to eliminate duplicates Z: 41 20.760 1.951 0.476 0.386 0.925 0.575 CB 1.390 41 residues pruned to eliminate duplicates Z: 21 14.397 1.851 0.544 0.390 0.850 0.550 CA 1.489 21 residues pruned to eliminate duplicates Z: 17 16.473 1.981 0.586 0.401 0.938 0.500 CB 1.551 17 residues pruned to eliminate duplicates Z: 26 15.336 1.999 0.372 0.360 0.920 0.520 CB 1.413 26 residues pruned to eliminate duplicates Z: 25 11.684 1.832 0.576 0.320 0.792 0.375 CA 1.272 25 residues pruned to eliminate duplicates Z: 19 9.839 1.874 0.307 0.336 0.889 0.500 CA 1.273 19 residues pruned to eliminate duplicates Z: 43 22.517 1.959 0.491 0.387 0.905 0.476 CA 1.483 43 residues pruned to eliminate duplicates Z: 28 15.016 1.982 0.382 0.326 0.889 0.407 CB 1.437 28 residues pruned to eliminate duplicates Z: 44 22.251 2.028 0.526 0.394 0.884 0.395 CB 1.388 44 residues pruned to eliminate duplicates Z: 33 14.459 1.952 0.442 0.328 0.844 0.438 CB 1.300 33 residues pruned to eliminate duplicates Z: 10 11.572 2.007 0.485 0.566 0.889 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 12 11.341 1.943 0.671 0.434 0.818 0.545 CB 1.378 12 residues pruned to eliminate duplicates Z: 19 14.128 2.006 0.339 0.424 0.889 0.500 CB 1.510 19 residues pruned to eliminate duplicates Z: 17 9.986 1.866 0.502 0.420 0.812 0.562 CA 1.192 17 residues pruned to eliminate duplicates Z: 19 11.964 1.993 0.425 0.353 0.833 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 52 23.688 1.987 0.552 0.367 0.863 0.510 CB 1.438 52 residues pruned to eliminate duplicates Z: 54 23.259 1.977 0.455 0.341 0.906 0.472 CB 1.458 54 residues pruned to eliminate duplicates Z: 19 9.884 1.855 0.304 0.317 0.889 0.333 CA 1.326 19 residues pruned to eliminate duplicates Z: 16 5.495 1.824 0.359 0.257 0.733 0.400 CB 1.032 16 residues pruned to eliminate duplicates Z: 29 12.209 1.877 0.397 0.314 0.857 0.429 CB 1.262 29 residues pruned to eliminate duplicates Z: 10 5.190 1.877 0.483 0.182 0.778 0.333 CA 1.173 10 residues pruned to eliminate duplicates Z: 30 14.820 1.925 0.507 0.335 0.897 0.552 CB 1.268 30 residues pruned to eliminate duplicates Z: 21 13.363 1.959 0.476 0.372 0.950 0.500 CB 1.247 21 residues pruned to eliminate duplicates Z: 21 9.931 1.933 0.378 0.318 0.850 0.450 CB 1.199 21 residues pruned to eliminate duplicates Z: 58 19.718 1.994 0.456 0.322 0.860 0.439 CB 1.274 58 residues pruned to eliminate duplicates Z: 14 13.460 1.872 0.746 0.403 0.923 0.538 N 1.371 14 residues pruned to eliminate duplicates Z: 15 10.717 1.906 0.498 0.389 0.857 0.500 CB 1.317 15 residues pruned to eliminate duplicates Z: 49 19.489 1.936 0.487 0.329 0.917 0.500 CB 1.286 49 residues pruned to eliminate duplicates Z: 14 9.285 1.932 0.471 0.370 0.846 0.462 CB 1.230 14 residues pruned to eliminate duplicates Z: 15 11.952 1.895 0.668 0.360 0.929 0.571 CA 1.265 15 residues pruned to eliminate duplicates Z: 14 13.056 1.941 0.625 0.382 1.000 0.538 CA 1.301 14 residues pruned to eliminate duplicates Z: 18 11.794 1.956 0.604 0.293 0.824 0.412 CA 1.396 18 residues pruned to eliminate duplicates Z: 13 9.538 2.002 0.456 0.366 0.833 0.583 CB 1.309 13 residues pruned to eliminate duplicates Z: 12 10.491 1.940 0.355 0.438 1.000 0.636 CB 1.283 12 residues pruned to eliminate duplicates Z: 28 14.014 2.040 0.452 0.373 0.778 0.407 CB 1.341 28 residues pruned to eliminate duplicates Z: 19 10.921 1.861 0.504 0.420 0.833 0.556 CA 1.199 19 residues pruned to eliminate duplicates Z: 42 17.825 1.937 0.452 0.393 0.829 0.537 CB 1.336 42 residues pruned to eliminate duplicates Z: 30 17.232 2.017 0.485 0.448 0.828 0.483 CB 1.362 30 residues pruned to eliminate duplicates Z: 14 11.209 2.063 0.636 0.468 0.846 0.615 CB 1.125 14 residues pruned to eliminate duplicates Z: 21 13.004 2.059 0.626 0.346 0.750 0.350 CB 1.368 21 residues pruned to eliminate duplicates Z: 28 14.665 2.014 0.541 0.402 0.815 0.407 CB 1.238 28 residues pruned to eliminate duplicates Z: 20 10.243 1.925 0.421 0.318 0.895 0.526 CB 1.174 20 residues pruned to eliminate duplicates Z: 16 10.096 1.993 0.336 0.418 0.800 0.600 CA 1.333 16 residues pruned to eliminate duplicates Z: 12 12.119 2.135 0.758 0.421 0.818 0.364 CB 1.292 12 residues pruned to eliminate duplicates Z: 15 11.369 2.068 0.413 0.430 0.786 0.286 CB 1.423 15 residues pruned to eliminate duplicates Z: 16 13.225 2.045 0.411 0.449 0.867 0.333 CA 1.438 16 residues pruned to eliminate duplicates Z: 21 9.339 1.898 0.454 0.357 0.700 0.450 CB 1.262 21 residues pruned to eliminate duplicates Z: 20 9.210 1.961 0.398 0.337 0.737 0.368 CB 1.249 20 residues pruned to eliminate duplicates Z: 21 11.502 1.965 0.315 0.387 0.800 0.300 CB 1.403 21 residues pruned to eliminate duplicates Z: 38 15.723 1.934 0.435 0.347 0.865 0.459 CB 1.271 38 residues pruned to eliminate duplicates Z: 20 11.661 2.114 0.371 0.364 0.842 0.368 CB 1.270 20 residues pruned to eliminate duplicates Z: 20 10.398 2.087 0.316 0.300 0.737 0.421 CB 1.474 20 residues pruned to eliminate duplicates Z: 31 10.553 1.898 0.432 0.244 0.733 0.367 CB 1.299 31 residues pruned to eliminate duplicates Z: 24 11.860 2.069 0.338 0.326 0.739 0.435 CB 1.464 24 residues pruned to eliminate duplicates Z: 6 3.758 1.968 0.117 0.293 0.600 0.400 N 1.606 6 residues pruned to eliminate duplicates Z: 10 8.601 2.013 0.524 0.362 0.667 0.556 N 1.626 10 residues pruned to eliminate duplicates Z: 9 9.842 2.075 0.445 0.419 0.750 0.500 N 1.685 9 residues pruned to eliminate duplicates Z: 9 10.880 2.117 0.521 0.449 0.750 0.625 CA 1.678 9 residues pruned to eliminate duplicates Z: 44 25.394 2.108 0.355 0.458 0.884 0.535 CB 1.601 44 residues pruned to eliminate duplicates Z: 39 25.593 2.034 0.399 0.567 0.842 0.579 CB 1.624 39 residues pruned to eliminate duplicates Z: 58 24.781 1.958 0.386 0.493 0.842 0.544 CB 1.446 58 residues pruned to eliminate duplicates Z: 33 22.581 2.017 0.491 0.542 0.781 0.594 CA 1.631 33 residues pruned to eliminate duplicates Z: 27 25.891 1.998 0.496 0.618 0.962 0.654 CB 1.581 27 residues pruned to eliminate duplicates Z: 42 23.870 2.093 0.451 0.457 0.829 0.512 CB 1.547 42 residues pruned to eliminate duplicates Z: 82 30.209 1.990 0.480 0.405 0.889 0.519 CB 1.417 82 residues pruned to eliminate duplicates Z: 30 27.958 2.040 0.553 0.564 0.931 0.621 CB 1.653 30 residues pruned to eliminate duplicates Z: 30 21.215 2.064 0.378 0.483 0.828 0.517 CA 1.702 30 residues pruned to eliminate duplicates Z: 23 22.038 2.003 0.345 0.604 0.955 0.727 CB 1.654 23 residues pruned to eliminate duplicates Z: 26 23.611 2.003 0.382 0.596 0.960 0.600 CB 1.621 26 residues pruned to eliminate duplicates Z: 32 26.966 2.052 0.424 0.587 0.903 0.677 CB 1.689 32 residues pruned to eliminate duplicates Z: 30 17.294 1.922 0.268 0.537 0.897 0.586 CB 1.417 30 residues pruned to eliminate duplicates Z: 17 23.598 2.227 0.388 0.701 1.000 0.625 CB 1.590 17 residues pruned to eliminate duplicates Z: 21 20.547 2.038 0.323 0.634 0.900 0.550 CB 1.669 21 residues pruned to eliminate duplicates Z: 31 27.555 2.080 0.462 0.586 0.933 0.667 CB 1.632 31 residues pruned to eliminate duplicates Z: 22 16.069 1.988 0.434 0.590 0.810 0.524 CB 1.395 22 residues pruned to eliminate duplicates Z: 42 24.792 2.080 0.449 0.461 0.854 0.561 CB 1.566 42 residues pruned to eliminate duplicates Z: 18 22.764 2.161 0.496 0.646 0.941 0.471 CB 1.583 18 residues pruned to eliminate duplicates Z: 24 22.703 2.025 0.453 0.633 0.913 0.739 CB 1.555 24 residues pruned to eliminate duplicates Z: 34 23.974 2.089 0.582 0.449 0.879 0.455 CB 1.514 34 residues pruned to eliminate duplicates Z: 30 25.268 2.054 0.476 0.603 0.897 0.552 CB 1.565 30 residues pruned to eliminate duplicates Z: 67 35.861 2.059 0.610 0.495 0.848 0.470 CB 1.578 65 residues pruned to eliminate duplicates Z: 17 15.675 2.032 0.428 0.705 0.875 0.500 CB 1.282 17 residues pruned to eliminate duplicates Z: 39 24.829 2.013 0.464 0.542 0.842 0.526 CB 1.558 39 residues pruned to eliminate duplicates Z: 14 9.949 1.752 0.497 0.539 0.846 0.692 CB 1.197 14 residues pruned to eliminate duplicates Z: 7 12.037 1.947 0.534 0.859 0.833 0.500 CB 1.453 7 residues pruned to eliminate duplicates Z: 9 8.116 1.808 0.270 0.593 0.750 0.750 CB 1.525 9 residues pruned to eliminate duplicates Z: 12 8.625 1.682 0.367 0.588 0.727 0.364 CB 1.430 12 residues pruned to eliminate duplicates Z: 74 32.186 2.078 0.526 0.437 0.849 0.521 CB 1.493 74 residues pruned to eliminate duplicates Z: 57 33.148 2.044 0.577 0.507 0.875 0.643 CB 1.559 57 residues pruned to eliminate duplicates Z: 31 20.517 2.067 0.717 0.386 0.833 0.433 CB 1.429 31 residues pruned to eliminate duplicates Z: 32 22.432 2.067 0.577 0.466 0.871 0.419 CB 1.470 32 residues pruned to eliminate duplicates Z: 29 23.438 2.079 0.641 0.486 0.893 0.607 CB 1.474 28 residues pruned to eliminate duplicates Z: 7 2.628 1.458 0.657 0.259 0.833 0.500 CA 0.703 7 residues pruned to eliminate duplicates Z: 22 16.165 2.136 0.639 0.323 0.810 0.429 CA 1.512 22 residues pruned to eliminate duplicates Z: 24 19.134 2.118 0.833 0.342 0.826 0.348 CA 1.477 24 residues pruned to eliminate duplicates Z: 26 21.034 2.055 0.881 0.346 0.880 0.360 CA 1.461 26 residues pruned to eliminate duplicates Z: 57 38.116 2.059 0.643 0.537 0.911 0.589 CB 1.595 57 residues pruned to eliminate duplicates Z: 28 22.334 2.113 0.758 0.430 0.889 0.556 CB 1.400 29 residues pruned to eliminate duplicates Z: 6 3.504 1.643 0.381 0.293 0.800 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 25 19.207 2.154 0.642 0.381 0.833 0.458 CB 1.510 25 residues pruned to eliminate duplicates Z: 27 22.556 2.137 0.612 0.421 0.885 0.500 CA 1.576 27 residues pruned to eliminate duplicates Z: 21 18.107 2.230 0.545 0.342 0.850 0.550 CB 1.643 21 residues pruned to eliminate duplicates Z: 21 20.604 2.234 0.751 0.308 0.900 0.550 CB 1.620 21 residues pruned to eliminate duplicates Z: 29 22.685 2.082 0.812 0.342 0.893 0.464 CA 1.512 29 residues pruned to eliminate duplicates Z: 17 15.185 2.113 0.749 0.345 0.812 0.500 CB 1.496 17 residues pruned to eliminate duplicates Z: 36 19.580 1.977 0.853 0.274 0.771 0.429 CA 1.512 36 residues pruned to eliminate duplicates Z: 29 23.029 2.099 0.737 0.417 0.893 0.536 CA 1.458 28 residues pruned to eliminate duplicates Z: 8 11.198 1.776 0.419 0.838 1.000 0.857 CA 1.256 8 residues pruned to eliminate duplicates Z: 27 25.601 2.145 0.711 0.393 0.962 0.538 CA 1.593 28 residues pruned to eliminate duplicates Z: 8 10.632 1.852 0.391 0.863 0.857 0.714 CA 1.335 8 residues pruned to eliminate duplicates Z: 9 15.165 2.058 0.664 0.627 1.000 0.500 CB 1.390 9 residues pruned to eliminate duplicates Z: 27 23.362 2.101 0.824 0.398 0.923 0.500 CB 1.442 27 residues pruned to eliminate duplicates Z: 8 5.605 1.742 0.231 0.533 0.857 0.714 CB 1.116 8 residues pruned to eliminate duplicates Z: 9 3.937 1.659 0.064 0.477 0.750 0.750 CB 1.076 9 residues pruned to eliminate duplicates Z: 13 7.421 1.702 0.305 0.419 0.833 0.417 CB 1.260 8 residues pruned to eliminate duplicates Z: 6 2.421 1.291 0.051 0.496 1.000 0.200 CB 0.801 Z: 8 4.965 1.538 0.247 0.418 0.857 0.143 O 1.244 Z: 6 5.026 1.676 0.563 0.455 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 19 9.908 1.579 0.547 0.386 1.000 0.500 CB 1.079 19 residues pruned to eliminate duplicates Z: 7 2.516 1.804 0.215 0.408 0.667 0.500 CB 0.774 7 residues pruned to eliminate duplicates Z: 6 5.290 1.876 0.213 0.532 1.000 0.200 CA 1.007 6 residues pruned to eliminate duplicates Z: 9 4.866 1.710 0.221 0.258 1.000 0.250 CB 1.087 9 residues pruned to eliminate duplicates Z: 49 21.106 1.944 0.321 0.437 0.938 0.500 CB 1.351 49 residues pruned to eliminate duplicates Z: 14 4.910 1.655 0.554 0.257 0.692 0.462 CA 1.009 14 residues pruned to eliminate duplicates Z: 59 25.941 2.002 0.387 0.464 0.914 0.483 CA 1.393 59 residues pruned to eliminate duplicates Z: 30 15.920 1.891 0.378 0.434 0.897 0.517 CB 1.354 30 residues pruned to eliminate duplicates Z: 32 15.167 1.826 0.355 0.387 0.871 0.484 CA 1.424 32 residues pruned to eliminate duplicates Z: 19 9.466 1.887 0.261 0.464 0.833 0.500 CB 1.167 19 residues pruned to eliminate duplicates Z: 35 17.522 1.917 0.343 0.405 0.941 0.647 CB 1.370 35 residues pruned to eliminate duplicates Z: 34 17.296 1.929 0.411 0.426 0.879 0.515 CA 1.359 34 residues pruned to eliminate duplicates Z: 59 26.299 1.954 0.408 0.481 0.948 0.517 CB 1.349 59 residues pruned to eliminate duplicates Z: 11 10.107 1.891 0.367 0.581 0.900 0.600 CA 1.271 11 residues pruned to eliminate duplicates Z: 59 24.908 1.967 0.347 0.456 0.931 0.552 CA 1.388 59 residues pruned to eliminate duplicates Z: 47 21.853 1.950 0.430 0.414 0.935 0.500 CA 1.351 47 residues pruned to eliminate duplicates Z: 63 21.370 1.949 0.280 0.419 0.871 0.419 CB 1.359 63 residues pruned to eliminate duplicates Z: 52 23.439 1.966 0.360 0.461 0.922 0.588 CB 1.386 52 residues pruned to eliminate duplicates Z: 49 23.992 2.015 0.347 0.483 0.917 0.625 CA 1.416 49 residues pruned to eliminate duplicates Z: 61 24.171 1.962 0.364 0.425 0.933 0.517 CA 1.351 61 residues pruned to eliminate duplicates Z: 52 24.609 1.998 0.397 0.489 0.902 0.647 CB 1.385 52 residues pruned to eliminate duplicates Z: 52 26.749 2.009 0.468 0.481 0.902 0.627 CB 1.435 52 residues pruned to eliminate duplicates Z: 41 20.582 1.977 0.284 0.441 0.950 0.600 CB 1.435 41 residues pruned to eliminate duplicates Z: 62 23.140 1.967 0.327 0.412 0.902 0.459 CA 1.380 62 residues pruned to eliminate duplicates Z: 60 22.257 1.962 0.362 0.427 0.864 0.458 CB 1.354 60 residues pruned to eliminate duplicates Z: 41 22.570 2.003 0.438 0.434 0.950 0.550 CA 1.396 41 residues pruned to eliminate duplicates Z: 61 24.291 1.971 0.345 0.424 0.917 0.533 CA 1.397 61 residues pruned to eliminate duplicates Z: 59 24.602 2.006 0.403 0.443 0.879 0.552 CB 1.385 59 residues pruned to eliminate duplicates Z: 62 24.594 1.959 0.371 0.430 0.918 0.492 CB 1.374 62 residues pruned to eliminate duplicates Z: 41 16.481 1.959 0.253 0.386 0.875 0.500 CA 1.370 41 residues pruned to eliminate duplicates Z: 62 24.312 1.934 0.362 0.445 0.934 0.525 CA 1.339 62 residues pruned to eliminate duplicates Z: 63 24.253 1.947 0.405 0.421 0.903 0.468 CA 1.354 63 residues pruned to eliminate duplicates Z: 53 24.104 1.977 0.424 0.449 0.923 0.577 CA 1.356 53 residues pruned to eliminate duplicates Z: 62 22.849 1.941 0.345 0.415 0.918 0.475 CA 1.335 62 residues pruned to eliminate duplicates Z: 52 23.105 1.962 0.351 0.410 0.980 0.471 CB 1.368 52 residues pruned to eliminate duplicates Z: 63 25.310 1.924 0.407 0.425 0.952 0.500 CA 1.350 63 residues pruned to eliminate duplicates Z: 57 23.463 1.935 0.427 0.445 0.893 0.536 CA 1.346 57 residues pruned to eliminate duplicates Z: 60 25.066 1.981 0.377 0.439 0.949 0.441 CA 1.342 60 residues pruned to eliminate duplicates Z: 59 21.976 1.937 0.391 0.413 0.914 0.500 CA 1.283 59 residues pruned to eliminate duplicates Z: 17 10.962 2.001 0.168 0.375 1.000 0.438 CA 1.341 17 residues pruned to eliminate duplicates Z: 51 25.984 2.026 0.373 0.500 0.920 0.620 CA 1.436 51 residues pruned to eliminate duplicates Z: 50 19.414 1.916 0.276 0.395 0.918 0.490 CB 1.380 50 residues pruned to eliminate duplicates Z: 27 16.604 2.065 0.330 0.482 0.885 0.423 CA 1.366 27 residues pruned to eliminate duplicates Z: 26 17.104 2.078 0.285 0.538 0.920 0.640 CA 1.342 26 residues pruned to eliminate duplicates Z: 29 16.282 1.977 0.329 0.455 0.893 0.536 CA 1.373 29 residues pruned to eliminate duplicates Z: 42 25.375 2.010 0.411 0.493 0.976 0.512 CA 1.443 42 residues pruned to eliminate duplicates Z: 55 22.494 1.936 0.437 0.456 0.870 0.500 CB 1.322 55 residues pruned to eliminate duplicates Z: 28 20.243 2.090 0.359 0.498 0.963 0.519 CB 1.428 28 residues pruned to eliminate duplicates Z: 26 16.580 2.092 0.345 0.478 0.880 0.560 CA 1.369 26 residues pruned to eliminate duplicates Z: 39 22.078 1.981 0.399 0.481 0.921 0.553 CB 1.431 39 residues pruned to eliminate duplicates Z: 59 24.112 1.987 0.350 0.461 0.897 0.586 CA 1.370 59 residues pruned to eliminate duplicates Z: 59 22.703 1.921 0.424 0.425 0.897 0.534 CB 1.315 59 residues pruned to eliminate duplicates Z: 15 11.057 1.870 0.563 0.531 0.857 0.429 CB 1.144 15 residues pruned to eliminate duplicates Z: 14 8.641 1.850 0.448 0.522 0.846 0.462 CA 1.035 14 residues pruned to eliminate duplicates Z: 12 16.489 2.114 0.682 0.624 0.909 0.545 CA 1.368 12 residues pruned to eliminate duplicates Z: 54 24.029 1.983 0.370 0.447 0.925 0.509 CB 1.388 54 residues pruned to eliminate duplicates Z: 52 23.937 1.996 0.350 0.435 0.922 0.529 CA 1.444 52 residues pruned to eliminate duplicates Z: 43 20.710 1.985 0.353 0.425 0.976 0.500 CB 1.318 43 residues pruned to eliminate duplicates 668 residues left after pruning, divided into chains as follows: A: 70 B: 7 C: 8 D: 15 E: 10 F: 13 G: 146 H: 34 I: 80 J: 9 K: 63 L: 39 M: 7 N: 156 O: 11 CC for partial structure against native data = 24.30 % ------------------------------------------------------------------------------ Global autotracing cycle 26 = 0.300, Contrast = 0.396, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.530, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.545, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.550, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6734 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1285 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 15.231 2.053 0.560 0.443 0.882 0.706 CB 1.386 B: 17 13.834 2.034 0.506 0.429 0.875 0.688 CB 1.388 13 residues pruned to eliminate duplicates C: 22 41.926 2.234 0.933 0.931 1.000 0.905 CB 1.480 D: 30 14.993 1.926 0.390 0.431 0.828 0.621 CA 1.349 E: 22 36.326 2.239 0.666 0.894 1.000 0.667 CB 1.525 22 residues pruned to eliminate duplicates F: 15 15.671 1.868 0.640 0.638 1.000 0.500 CB 1.202 G: 8 5.033 1.706 0.079 0.730 0.857 0.714 CB 0.981 H: 9 12.595 1.942 0.498 0.847 0.875 0.625 CB 1.298 I: 22 40.329 2.181 0.847 0.899 1.000 0.810 CB 1.562 22 residues pruned to eliminate duplicates J: 11 14.079 1.791 0.625 0.890 0.900 0.300 CA 1.222 9 residues pruned to eliminate duplicates K: 14 17.553 2.131 0.611 0.833 0.923 0.692 CB 1.152 L: 22 40.013 2.213 0.822 0.921 1.000 0.905 CB 1.524 22 residues pruned to eliminate duplicates M: 22 32.175 2.133 0.577 0.923 1.000 0.952 CB 1.467 22 residues pruned to eliminate duplicates N: 12 11.950 1.826 0.515 0.738 0.909 0.455 CB 1.158 O: 22 37.147 2.213 0.599 0.888 1.000 0.857 CA 1.650 22 residues pruned to eliminate duplicates P: 21 37.441 2.259 0.617 0.918 1.000 0.850 CB 1.617 21 residues pruned to eliminate duplicates Q: 11 19.583 2.132 0.648 0.610 1.000 0.700 CB 1.588 R: 21 39.857 2.289 0.711 0.922 1.000 0.850 CB 1.600 21 residues pruned to eliminate duplicates S: 11 17.059 2.045 0.385 0.893 1.000 0.600 CA 1.367 T: 21 30.719 2.189 0.388 0.891 1.000 0.850 CB 1.625 21 residues pruned to eliminate duplicates U: 15 15.701 2.033 0.451 0.862 0.929 0.714 CA 1.125 V: 20 22.729 1.963 0.473 0.869 1.000 0.632 CA 1.317 15 residues pruned to eliminate duplicates W: 11 15.141 2.171 0.390 0.821 0.900 0.400 CB 1.334 11 residues pruned to eliminate duplicates X: 22 35.989 2.238 0.546 0.900 1.000 0.810 CB 1.622 22 residues pruned to eliminate duplicates Y: 22 39.822 2.179 0.892 0.935 1.000 0.905 CB 1.469 22 residues pruned to eliminate duplicates Z: 21 33.667 2.167 0.573 0.912 1.000 0.950 CB 1.565 21 residues pruned to eliminate duplicates Z: 8 8.120 1.783 0.499 0.755 0.857 0.571 CB 1.068 8 residues pruned to eliminate duplicates Z: 17 14.143 2.080 0.244 0.496 0.938 0.625 CB 1.463 17 residues pruned to eliminate duplicates Z: 12 16.190 2.275 0.883 0.291 0.909 0.364 CB 1.583 Z: 11 17.984 2.135 0.373 0.873 1.000 0.900 CB 1.413 Z: 39 30.028 2.126 0.444 0.500 1.000 0.553 CA 1.586 11 residues pruned to eliminate duplicates Z: 15 20.347 1.984 0.246 0.895 1.000 0.857 CB 1.577 12 residues pruned to eliminate duplicates Z: 17 8.549 1.779 0.376 0.296 0.750 0.250 CA 1.462 Z: 21 30.939 2.248 0.448 0.889 1.000 0.650 CB 1.530 21 residues pruned to eliminate duplicates Z: 15 20.430 2.158 0.444 0.878 1.000 0.786 CB 1.272 14 residues pruned to eliminate duplicates Z: 7 8.565 1.995 0.189 0.787 0.833 0.500 CB 1.375 7 residues pruned to eliminate duplicates Z: 23 28.070 1.953 0.668 0.882 0.955 0.818 CB 1.393 15 residues pruned to eliminate duplicates Z: 18 16.534 2.012 0.045 0.868 0.941 0.882 CB 1.481 16 residues pruned to eliminate duplicates Z: 21 29.300 2.022 0.559 0.933 1.000 0.850 CB 1.450 21 residues pruned to eliminate duplicates Z: 22 34.616 1.995 0.830 0.886 1.000 0.714 CB 1.493 23 residues pruned to eliminate duplicates Z: 21 30.619 2.000 0.621 0.891 1.000 0.750 CA 1.518 21 residues pruned to eliminate duplicates Z: 7 5.757 2.003 0.323 0.362 0.667 0.333 CB 1.543 7 residues pruned to eliminate duplicates Z: 9 13.559 1.840 0.429 0.649 1.000 0.750 CA 1.587 Z: 15 11.347 2.016 0.377 0.399 0.786 0.643 CA 1.545 15 residues pruned to eliminate duplicates Z: 20 27.468 2.124 0.535 0.845 0.895 0.789 CB 1.606 20 residues pruned to eliminate duplicates Z: 10 10.990 1.795 0.263 0.604 1.000 0.778 CA 1.463 10 residues pruned to eliminate duplicates Z: 11 7.476 1.803 0.449 0.556 0.800 0.400 CB 1.071 11 residues pruned to eliminate duplicates Z: 16 18.108 2.076 0.297 0.879 1.000 0.667 CB 1.260 15 residues pruned to eliminate duplicates Z: 8 4.348 1.736 -0.076 0.346 0.857 0.429 CB 1.412 5 residues pruned to eliminate duplicates Z: 28 15.401 1.997 0.543 0.397 0.778 0.556 CB 1.378 Z: 17 22.801 2.026 0.338 0.932 1.000 0.938 CB 1.469 17 residues pruned to eliminate duplicates Z: 21 36.922 2.165 0.656 0.920 1.000 0.850 CA 1.622 21 residues pruned to eliminate duplicates Z: 11 18.836 2.162 0.425 0.820 1.000 0.700 CB 1.464 11 residues pruned to eliminate duplicates Z: 54 34.330 1.993 0.563 0.641 0.943 0.736 CB 1.406 22 residues pruned to eliminate duplicates Z: 27 21.742 2.022 0.496 0.541 0.923 0.731 CB 1.468 24 residues pruned to eliminate duplicates Z: 48 22.642 1.993 0.397 0.397 0.894 0.574 CB 1.481 15 residues pruned to eliminate duplicates Z: 9 13.901 1.846 0.851 0.859 0.875 0.875 CB 1.210 10 residues pruned to eliminate duplicates Z: 13 13.875 2.044 0.496 0.461 0.917 0.667 CA 1.487 Z: 15 11.198 2.030 0.507 0.318 0.857 0.571 CB 1.395 Z: 32 21.264 2.027 0.627 0.412 0.839 0.516 CA 1.513 24 residues pruned to eliminate duplicates Z: 32 24.854 2.108 0.585 0.502 0.935 0.484 CB 1.425 23 residues pruned to eliminate duplicates Z: 20 19.254 1.883 0.356 0.940 1.000 0.842 CB 1.202 18 residues pruned to eliminate duplicates Z: 25 19.272 2.136 0.451 0.515 0.875 0.458 CB 1.429 26 residues pruned to eliminate duplicates Z: 13 22.627 2.245 0.742 0.911 0.917 0.750 CB 1.291 13 residues pruned to eliminate duplicates Z: 22 34.913 2.191 0.862 0.926 0.952 0.810 CB 1.376 22 residues pruned to eliminate duplicates Z: 19 26.809 2.078 0.482 0.898 1.000 0.889 CA 1.469 20 residues pruned to eliminate duplicates Z: 44 30.831 1.994 0.738 0.574 0.837 0.395 CB 1.509 44 residues pruned to eliminate duplicates Z: 21 37.579 2.031 0.973 0.899 1.000 0.600 CB 1.499 21 residues pruned to eliminate duplicates Z: 10 6.841 2.035 0.332 0.550 0.667 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 14 13.423 2.050 0.458 0.468 0.923 0.385 CB 1.395 15 residues pruned to eliminate duplicates Z: 10 12.932 1.821 0.646 0.815 0.778 0.667 CA 1.406 8 residues pruned to eliminate duplicates Z: 17 18.410 2.060 0.381 0.860 0.875 0.688 CB 1.359 17 residues pruned to eliminate duplicates Z: 12 8.777 2.017 0.557 0.352 0.727 0.455 CB 1.361 6 residues pruned to eliminate duplicates Z: 13 13.700 2.054 0.441 0.457 0.917 0.500 CA 1.523 13 residues pruned to eliminate duplicates Z: 11 16.135 2.209 0.615 0.822 0.900 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 28 14.428 2.066 0.379 0.352 0.778 0.481 CB 1.470 28 residues pruned to eliminate duplicates Z: 12 7.615 1.927 0.312 0.407 0.818 0.545 CA 1.223 12 residues pruned to eliminate duplicates Z: 13 9.723 1.927 0.668 0.355 0.833 0.500 CB 1.225 12 residues pruned to eliminate duplicates Z: 22 37.474 2.041 0.831 0.946 1.000 0.667 CB 1.513 22 residues pruned to eliminate duplicates Z: 11 8.200 1.900 0.259 0.502 0.900 0.300 CB 1.203 Z: 21 34.790 2.256 0.628 0.900 1.000 0.750 CB 1.513 21 residues pruned to eliminate duplicates Z: 19 25.055 2.045 0.481 0.860 1.000 0.778 CA 1.433 19 residues pruned to eliminate duplicates Z: 12 18.509 2.093 0.473 0.819 1.000 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 15 13.435 1.946 0.627 0.567 0.857 0.571 CB 1.240 15 residues pruned to eliminate duplicates Z: 19 9.719 2.008 0.483 0.261 0.778 0.389 CA 1.300 11 residues pruned to eliminate duplicates Z: 32 14.502 1.928 0.479 0.331 0.839 0.452 CB 1.310 32 residues pruned to eliminate duplicates Z: 14 11.551 1.961 0.592 0.479 0.846 0.615 CA 1.240 11 residues pruned to eliminate duplicates Z: 12 13.389 2.149 0.459 0.472 0.909 0.545 CA 1.457 4 residues pruned to eliminate duplicates Z: 24 17.510 1.999 0.484 0.396 0.913 0.435 CA 1.505 24 residues pruned to eliminate duplicates Z: 15 13.267 2.082 0.372 0.808 0.857 0.643 CB 1.107 15 residues pruned to eliminate duplicates Z: 22 11.709 1.769 0.451 0.361 0.857 0.476 C 1.348 17 residues pruned to eliminate duplicates Z: 75 33.711 2.043 0.427 0.568 0.865 0.595 CA 1.455 73 residues pruned to eliminate duplicates Z: 7 5.971 1.862 0.340 0.528 0.667 0.333 N 1.425 Z: 18 24.136 2.080 0.482 0.867 1.000 0.765 CA 1.389 18 residues pruned to eliminate duplicates Z: 47 29.627 2.089 0.326 0.664 0.957 0.652 CA 1.416 47 residues pruned to eliminate duplicates Z: 27 23.548 2.091 0.770 0.438 0.885 0.577 CB 1.504 23 residues pruned to eliminate duplicates Z: 18 28.352 2.013 0.634 0.915 0.941 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 11 19.733 2.152 0.756 0.859 0.900 0.600 CA 1.350 11 residues pruned to eliminate duplicates Z: 12 14.858 2.115 0.652 0.614 0.818 0.818 CA 1.408 12 residues pruned to eliminate duplicates Z: 17 6.091 1.783 0.243 0.383 0.812 0.438 CB 0.958 Z: 39 28.968 2.131 0.650 0.459 0.895 0.579 CA 1.559 39 residues pruned to eliminate duplicates Z: 14 15.437 1.913 0.303 0.866 0.923 0.769 CB 1.362 14 residues pruned to eliminate duplicates Z: 31 30.404 2.068 0.661 0.676 0.933 0.700 CA 1.472 31 residues pruned to eliminate duplicates Z: 10 22.696 2.144 0.749 0.883 1.000 0.556 CB 1.459 10 residues pruned to eliminate duplicates Z: 35 12.236 2.000 0.342 0.356 0.706 0.382 CB 1.294 35 residues pruned to eliminate duplicates Z: 6 3.004 1.771 -0.379 0.632 0.800 0.600 CA 1.348 Z: 10 10.898 1.945 0.674 0.625 0.778 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 12 12.228 2.025 0.506 0.476 0.909 0.727 CA 1.362 13 residues pruned to eliminate duplicates Z: 21 12.617 1.870 0.305 0.493 0.850 0.450 CB 1.370 18 residues pruned to eliminate duplicates Z: 15 22.443 2.192 0.370 0.877 1.000 0.786 CB 1.451 21 residues pruned to eliminate duplicates Z: 65 38.057 2.002 0.586 0.612 0.938 0.625 CB 1.437 33 residues pruned to eliminate duplicates Z: 6 4.192 1.707 0.256 0.474 0.800 0.600 N 1.122 6 residues pruned to eliminate duplicates Z: 15 8.343 1.900 0.378 0.453 0.643 0.429 CB 1.389 15 residues pruned to eliminate duplicates Z: 14 6.863 1.870 -0.012 0.362 0.923 0.692 CA 1.295 Z: 6 8.501 2.087 0.663 0.484 0.800 0.600 CA 1.392 6 residues pruned to eliminate duplicates Z: 33 15.808 1.901 0.400 0.446 0.844 0.625 CB 1.315 34 residues pruned to eliminate duplicates Z: 6 2.237 1.597 0.061 0.560 0.600 0.600 N 0.928 6 residues pruned to eliminate duplicates Z: 13 11.107 1.966 0.564 0.409 0.833 0.667 CA 1.376 Z: 23 19.104 2.062 0.366 0.512 0.955 0.682 CA 1.498 22 residues pruned to eliminate duplicates Z: 22 30.192 1.938 0.548 0.942 1.000 0.905 CB 1.524 22 residues pruned to eliminate duplicates Z: 13 11.945 2.054 0.254 0.461 0.917 0.750 CA 1.519 13 residues pruned to eliminate duplicates Z: 12 21.617 2.102 0.409 0.859 1.000 0.636 CA 1.619 12 residues pruned to eliminate duplicates Z: 58 29.835 1.983 0.425 0.565 0.947 0.596 CA 1.386 58 residues pruned to eliminate duplicates Z: 18 14.496 2.109 0.441 0.431 0.824 0.588 CA 1.509 18 residues pruned to eliminate duplicates Z: 35 18.199 1.952 0.532 0.416 0.853 0.500 CB 1.336 35 residues pruned to eliminate duplicates Z: 44 24.762 2.055 0.538 0.431 0.907 0.488 CA 1.414 44 residues pruned to eliminate duplicates Z: 21 25.964 2.011 0.792 0.832 0.950 0.600 CB 1.273 21 residues pruned to eliminate duplicates Z: 13 2.997 1.697 0.286 0.218 0.583 0.333 CA 0.946 8 residues pruned to eliminate duplicates Z: 42 29.637 2.102 0.429 0.607 0.951 0.756 CA 1.463 34 residues pruned to eliminate duplicates Z: 27 17.874 1.944 0.661 0.376 0.846 0.462 CB 1.465 25 residues pruned to eliminate duplicates Z: 22 36.171 1.968 1.070 0.907 1.000 0.667 CB 1.377 22 residues pruned to eliminate duplicates Z: 22 37.834 2.198 0.986 0.912 0.952 0.571 CB 1.406 22 residues pruned to eliminate duplicates Z: 33 19.119 1.888 0.435 0.451 0.906 0.438 CA 1.447 Z: 12 18.272 1.969 0.674 0.799 0.909 0.636 CB 1.415 12 residues pruned to eliminate duplicates Z: 10 8.653 1.821 0.487 0.444 1.000 0.778 CB 1.128 10 residues pruned to eliminate duplicates Z: 21 41.858 2.296 0.842 0.896 0.950 0.550 CB 1.669 21 residues pruned to eliminate duplicates Z: 7 10.848 2.058 0.401 0.760 0.833 0.667 CA 1.463 7 residues pruned to eliminate duplicates Z: 28 23.200 2.102 0.756 0.441 0.889 0.481 CA 1.447 28 residues pruned to eliminate duplicates Z: 38 15.730 1.897 0.317 0.415 0.892 0.649 CB 1.269 17 residues pruned to eliminate duplicates Z: 52 51.211 2.195 0.868 0.669 1.000 0.529 CB 1.496 42 residues pruned to eliminate duplicates Z: 11 9.961 1.909 0.628 0.452 0.800 0.500 CB 1.331 Z: 18 24.518 2.126 0.459 0.904 0.941 0.647 CB 1.451 18 residues pruned to eliminate duplicates Z: 8 5.000 1.696 -0.028 0.740 0.857 0.714 CB 1.079 Z: 7 3.292 1.687 -0.155 0.425 0.833 0.667 CB 1.223 Z: 11 10.560 1.933 0.398 0.415 0.900 0.400 CB 1.500 11 residues pruned to eliminate duplicates Z: 8 12.082 1.712 0.429 0.859 1.000 0.857 N 1.373 8 residues pruned to eliminate duplicates Z: 84 48.134 2.197 0.718 0.534 0.880 0.386 CB 1.540 85 residues pruned to eliminate duplicates Z: 21 38.851 2.232 1.014 0.930 0.950 0.500 CB 1.423 21 residues pruned to eliminate duplicates Z: 15 14.647 2.085 0.254 0.807 0.929 0.714 CB 1.235 15 residues pruned to eliminate duplicates Z: 16 11.068 1.885 0.377 0.471 0.800 0.533 CA 1.418 14 residues pruned to eliminate duplicates Z: 9 5.636 1.702 0.166 0.530 0.750 0.625 CB 1.299 Z: 13 10.498 1.918 0.533 0.406 0.833 0.500 CB 1.365 13 residues pruned to eliminate duplicates Z: 6 4.063 1.543 0.065 0.656 1.000 0.800 CB 0.956 6 residues pruned to eliminate duplicates Z: 38 17.662 1.902 0.399 0.456 0.919 0.568 CA 1.241 38 residues pruned to eliminate duplicates Z: 41 18.297 1.911 0.339 0.456 0.875 0.725 CA 1.351 Z: 16 13.142 2.054 0.429 0.414 0.933 0.600 CB 1.355 16 residues pruned to eliminate duplicates Z: 9 9.673 1.767 0.466 0.587 1.000 0.500 CB 1.215 Z: 20 18.981 2.048 0.538 0.616 0.895 0.579 CB 1.384 20 residues pruned to eliminate duplicates Z: 15 5.860 1.794 0.295 0.222 0.714 0.357 CA 1.308 15 residues pruned to eliminate duplicates Z: 36 17.451 1.969 0.405 0.420 0.886 0.486 CA 1.309 36 residues pruned to eliminate duplicates Z: 10 9.525 1.701 0.661 0.785 0.778 0.667 CB 1.124 10 residues pruned to eliminate duplicates Z: 8 7.842 1.904 0.374 0.529 0.857 0.857 CB 1.284 8 residues pruned to eliminate duplicates Z: 7 5.165 1.938 0.174 0.433 0.667 0.500 CA 1.489 7 residues pruned to eliminate duplicates Z: 14 17.922 2.045 0.311 0.872 1.000 0.615 CB 1.351 14 residues pruned to eliminate duplicates Z: 20 29.227 2.021 0.495 0.898 1.000 0.842 CB 1.587 20 residues pruned to eliminate duplicates Z: 16 14.071 1.915 0.319 0.579 0.933 0.667 CB 1.428 16 residues pruned to eliminate duplicates Z: 8 16.162 1.977 0.572 0.906 1.000 0.429 CB 1.398 9 residues pruned to eliminate duplicates Z: 8 10.359 1.722 0.589 0.638 0.857 0.714 CB 1.468 9 residues pruned to eliminate duplicates Z: 14 9.049 1.919 0.142 0.419 0.923 0.692 CA 1.349 14 residues pruned to eliminate duplicates Z: 6 4.269 1.408 0.336 0.567 1.000 0.400 CB 0.951 Z: 15 9.931 1.803 0.229 0.510 1.000 0.571 CB 1.186 14 residues pruned to eliminate duplicates Z: 7 10.046 2.155 0.565 0.742 1.000 0.667 CB 0.979 7 residues pruned to eliminate duplicates Z: 17 23.960 2.025 0.604 0.910 1.000 0.750 CA 1.308 17 residues pruned to eliminate duplicates Z: 23 19.085 2.190 0.735 0.344 0.864 0.591 CB 1.468 23 residues pruned to eliminate duplicates Z: 11 6.314 1.899 0.316 0.478 0.800 0.700 CB 1.021 11 residues pruned to eliminate duplicates Z: 8 14.915 1.885 0.728 0.833 0.857 0.571 CB 1.515 8 residues pruned to eliminate duplicates Z: 28 19.402 2.057 0.644 0.444 0.852 0.556 CB 1.374 28 residues pruned to eliminate duplicates Z: 7 10.090 1.935 0.313 0.817 0.833 0.667 CB 1.477 7 residues pruned to eliminate duplicates Z: 17 7.168 1.758 0.248 0.321 0.875 0.500 CA 1.137 17 residues pruned to eliminate duplicates Z: 68 41.575 2.111 0.590 0.565 0.940 0.627 CA 1.511 68 residues pruned to eliminate duplicates Z: 9 10.690 2.024 0.665 0.529 0.750 0.750 CB 1.453 9 residues pruned to eliminate duplicates Z: 21 36.443 2.058 0.881 0.924 1.000 0.650 CB 1.478 21 residues pruned to eliminate duplicates Z: 39 15.561 1.921 0.272 0.421 0.921 0.605 CB 1.218 39 residues pruned to eliminate duplicates Z: 6 6.392 1.875 0.250 0.482 0.800 0.800 CB 1.551 5 residues pruned to eliminate duplicates Z: 13 11.500 2.003 0.343 0.376 0.833 0.500 CB 1.691 13 residues pruned to eliminate duplicates Z: 11 16.240 2.098 0.398 0.883 0.900 0.500 CB 1.407 11 residues pruned to eliminate duplicates Z: 12 11.541 1.895 0.735 0.454 0.727 0.545 CB 1.526 11 residues pruned to eliminate duplicates Z: 15 14.117 1.940 0.746 0.549 0.857 0.571 CA 1.239 15 residues pruned to eliminate duplicates Z: 8 3.223 1.738 0.110 0.376 0.571 0.286 CA 1.262 8 residues pruned to eliminate duplicates Z: 13 9.730 1.965 0.145 0.431 0.917 0.833 CB 1.463 13 residues pruned to eliminate duplicates Z: 8 3.049 1.697 0.392 0.336 0.571 0.429 CB 1.021 7 1.518 1.324 0.014 0.406 0.667 0.500 CB 0.764 ? Z: 15 6.055 1.705 0.281 0.404 0.929 0.357 CB 0.883 15 residues pruned to eliminate duplicates Z: 27 19.363 1.995 0.531 0.480 0.885 0.654 CA 1.434 27 residues pruned to eliminate duplicates Z: 13 7.081 1.666 0.558 0.362 0.833 0.500 CA 1.097 5 residues pruned to eliminate duplicates Z: 17 25.752 2.032 0.822 0.855 0.812 0.562 CA 1.580 17 residues pruned to eliminate duplicates Z: 18 21.120 2.061 0.333 0.877 1.000 0.882 CA 1.354 18 residues pruned to eliminate duplicates Z: 22 15.192 1.895 0.700 0.454 0.905 0.714 CB 1.192 18 residues pruned to eliminate duplicates Z: 51 41.121 2.035 0.745 0.698 0.960 0.700 CB 1.424 51 residues pruned to eliminate duplicates Z: 24 13.494 1.883 0.580 0.374 0.870 0.435 CB 1.244 32 residues pruned to eliminate duplicates Z: 13 8.220 1.656 0.511 0.411 0.833 0.417 CB 1.249 9 residues pruned to eliminate duplicates Z: 26 15.347 1.966 0.556 0.431 0.880 0.640 CB 1.224 26 residues pruned to eliminate duplicates Z: 19 27.296 2.065 0.517 0.942 1.000 0.778 CB 1.424 19 residues pruned to eliminate duplicates Z: 10 7.996 1.925 0.160 0.477 1.000 0.556 CA 1.221 10 residues pruned to eliminate duplicates Z: 11 13.512 1.840 0.535 0.805 1.000 0.600 CA 1.160 11 residues pruned to eliminate duplicates Z: 52 24.205 1.987 0.329 0.474 0.941 0.588 CB 1.401 53 residues pruned to eliminate duplicates Z: 43 22.441 1.966 0.380 0.463 0.929 0.619 CB 1.427 44 residues pruned to eliminate duplicates Z: 11 8.948 1.954 0.512 0.385 0.800 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 8 13.300 1.817 0.672 0.880 0.857 0.571 CB 1.400 8 residues pruned to eliminate duplicates Z: 7 2.999 1.584 0.259 0.349 0.667 0.333 CB 1.085 7 residues pruned to eliminate duplicates Z: 28 24.720 2.126 0.659 0.503 0.926 0.667 CB 1.452 30 residues pruned to eliminate duplicates Z: 17 10.122 1.901 0.237 0.435 0.812 0.625 CA 1.416 17 residues pruned to eliminate duplicates 6 1.497 1.491 0.067 0.298 0.600 0.400 CA 0.879 ? Z: 21 29.098 1.975 0.763 0.890 0.950 0.650 CB 1.415 21 residues pruned to eliminate duplicates Z: 44 21.730 1.919 0.366 0.464 0.930 0.628 CB 1.411 44 residues pruned to eliminate duplicates Z: 17 8.291 1.861 0.316 0.481 0.812 0.562 CB 1.062 17 residues pruned to eliminate duplicates Z: 22 10.607 1.843 0.365 0.332 0.810 0.429 CA 1.366 22 residues pruned to eliminate duplicates Z: 35 19.941 2.008 0.585 0.351 0.853 0.382 CB 1.480 35 residues pruned to eliminate duplicates Z: 39 29.884 2.078 0.748 0.459 0.921 0.526 CB 1.511 39 residues pruned to eliminate duplicates Z: 9 4.915 1.936 -0.155 0.520 0.875 0.500 CB 1.191 Z: 15 11.472 1.971 0.201 0.450 1.000 0.643 CA 1.363 15 residues pruned to eliminate duplicates Z: 42 20.148 1.973 0.359 0.454 0.878 0.463 CB 1.401 42 residues pruned to eliminate duplicates Z: 11 13.307 1.983 0.405 0.648 0.900 0.800 CB 1.461 11 residues pruned to eliminate duplicates Z: 8 5.251 1.630 0.029 0.501 1.000 0.429 CB 1.182 Z: 9 10.958 1.929 0.573 0.584 0.875 0.625 CA 1.346 9 residues pruned to eliminate duplicates Z: 8 12.919 1.996 0.413 0.620 1.000 0.857 CB 1.546 8 residues pruned to eliminate duplicates Z: 35 17.871 1.848 0.424 0.443 0.882 0.559 CA 1.400 35 residues pruned to eliminate duplicates Z: 11 8.145 1.896 0.327 0.404 0.800 0.400 CB 1.415 11 residues pruned to eliminate duplicates Z: 7 3.103 1.522 0.396 0.525 0.667 0.667 CA 0.872 4 residues pruned to eliminate duplicates Z: 16 10.341 1.820 0.217 0.370 0.933 0.667 CB 1.486 16 residues pruned to eliminate duplicates Z: 6 6.037 1.595 0.701 0.540 0.800 0.600 CA 1.197 6 residues pruned to eliminate duplicates Z: 25 16.475 2.044 0.599 0.348 0.833 0.417 CB 1.456 25 residues pruned to eliminate duplicates Z: 9 5.683 1.664 0.482 0.731 1.000 0.750 CA 0.662 9 residues pruned to eliminate duplicates Z: 49 25.837 1.971 0.418 0.513 0.958 0.667 CB 1.374 54 residues pruned to eliminate duplicates Z: 21 34.089 2.184 0.759 0.910 1.000 0.800 CB 1.408 21 residues pruned to eliminate duplicates Z: 6 9.529 1.945 0.171 0.761 1.000 0.800 N 1.484 6 residues pruned to eliminate duplicates Z: 10 5.651 1.617 0.376 0.423 0.778 0.556 O 1.180 Z: 30 25.325 2.110 0.584 0.471 0.966 0.586 CA 1.501 34 residues pruned to eliminate duplicates Z: 11 4.511 1.685 0.355 0.355 0.800 0.400 CB 0.914 11 residues pruned to eliminate duplicates Z: 16 8.337 1.908 0.203 0.337 0.867 0.467 CA 1.293 16 residues pruned to eliminate duplicates Z: 39 25.651 1.987 0.580 0.598 0.895 0.500 CA 1.349 39 residues pruned to eliminate duplicates Z: 13 10.450 1.907 0.238 0.423 0.917 0.583 C 1.510 13 residues pruned to eliminate duplicates Z: 12 5.276 1.676 0.495 0.206 0.636 0.364 N 1.414 12 residues pruned to eliminate duplicates Z: 13 6.680 1.784 0.242 0.508 0.750 0.667 CA 1.151 13 residues pruned to eliminate duplicates Z: 8 12.671 1.891 0.597 0.679 1.000 0.714 CB 1.345 9 residues pruned to eliminate duplicates Z: 12 6.587 1.726 0.317 0.358 0.818 0.455 CB 1.244 Z: 8 15.153 1.871 0.869 0.860 0.857 0.714 CA 1.405 8 residues pruned to eliminate duplicates Z: 13 15.694 2.097 0.575 0.848 0.917 0.500 CB 1.110 13 residues pruned to eliminate duplicates Z: 8 11.837 1.833 0.507 0.859 1.000 0.857 CA 1.191 8 residues pruned to eliminate duplicates Z: 37 19.952 1.989 0.468 0.439 0.889 0.639 CB 1.365 35 residues pruned to eliminate duplicates Z: 7 3.625 1.724 -0.234 0.539 0.833 0.667 CB 1.294 Z: 9 6.541 1.449 0.491 0.816 1.000 0.500 CA 0.814 5 residues pruned to eliminate duplicates Z: 43 22.361 2.003 0.385 0.461 0.905 0.500 CB 1.430 39 residues pruned to eliminate duplicates Z: 31 29.505 2.212 0.707 0.446 0.933 0.533 CB 1.615 32 residues pruned to eliminate duplicates Z: 14 6.078 1.923 0.350 0.251 0.692 0.538 CA 1.249 14 residues pruned to eliminate duplicates Z: 10 15.456 1.873 0.776 0.846 0.889 0.778 CA 1.294 10 residues pruned to eliminate duplicates Z: 10 8.539 1.711 0.535 0.510 0.889 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 14 12.634 2.018 0.396 0.444 0.923 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 7 2.011 1.689 0.308 0.083 0.833 0.333 CB 0.765 7 residues pruned to eliminate duplicates Z: 54 24.959 1.973 0.453 0.425 0.925 0.528 CB 1.398 53 residues pruned to eliminate duplicates Z: 20 9.113 1.745 0.509 0.375 0.789 0.474 CA 1.149 18 residues pruned to eliminate duplicates Z: 7 5.490 1.660 0.811 0.828 0.667 0.667 CA 0.842 7 residues pruned to eliminate duplicates Z: 18 13.514 1.885 0.353 0.519 0.882 0.647 CB 1.430 23 residues pruned to eliminate duplicates Z: 7 3.688 1.634 0.405 0.508 0.833 0.667 CA 0.781 Z: 9 3.891 1.466 0.654 0.209 0.750 0.500 CB 1.066 Z: 26 13.674 2.042 0.395 0.427 0.800 0.440 CB 1.294 25 residues pruned to eliminate duplicates Z: 8 5.874 1.820 0.138 0.444 0.857 0.429 CA 1.325 Z: 21 30.535 2.052 0.529 0.924 1.000 0.950 CB 1.528 21 residues pruned to eliminate duplicates Z: 9 11.152 1.733 0.634 0.528 0.875 0.625 N 1.547 10 residues pruned to eliminate duplicates Z: 13 5.594 1.684 0.353 0.252 0.833 0.500 CB 1.132 7 residues pruned to eliminate duplicates Z: 12 9.765 1.931 0.829 0.454 0.818 0.545 CA 1.068 12 residues pruned to eliminate duplicates Z: 6 3.626 1.668 0.039 0.826 1.000 0.800 CA 0.706 6 residues pruned to eliminate duplicates Z: 8 12.871 1.878 0.670 0.772 0.857 0.571 CA 1.422 8 residues pruned to eliminate duplicates Z: 13 5.182 1.613 0.390 0.422 0.833 0.417 CB 0.869 13 residues pruned to eliminate duplicates Z: 8 4.697 1.675 -0.051 0.457 1.000 0.714 CB 1.167 4 residues pruned to eliminate duplicates Z: 12 8.843 1.683 0.560 0.536 0.818 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 41 23.106 1.933 0.442 0.515 0.925 0.475 CB 1.396 41 residues pruned to eliminate duplicates Z: 33 19.139 1.956 0.394 0.460 0.875 0.594 CA 1.477 31 residues pruned to eliminate duplicates Z: 9 5.274 1.595 0.444 0.179 0.875 0.250 CB 1.364 Z: 22 30.536 1.989 0.550 0.926 1.000 0.905 CB 1.516 22 residues pruned to eliminate duplicates Z: 21 14.705 1.947 0.501 0.416 0.900 0.450 CB 1.365 21 residues pruned to eliminate duplicates Z: 13 17.546 2.122 0.579 0.470 0.917 0.500 CB 1.699 13 residues pruned to eliminate duplicates Z: 9 8.891 2.007 0.328 0.476 1.000 0.625 CB 1.208 8 residues pruned to eliminate duplicates Z: 22 13.739 1.953 0.636 0.305 0.857 0.381 CA 1.359 22 residues pruned to eliminate duplicates Z: 9 10.095 1.914 0.099 0.811 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 13 11.200 1.987 0.513 0.363 0.917 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 12 15.587 1.854 0.684 0.805 1.000 0.545 CB 1.153 12 residues pruned to eliminate duplicates Z: 6 5.062 1.825 0.109 0.571 1.000 0.800 CA 1.045 6 residues pruned to eliminate duplicates Z: 38 16.507 1.924 0.315 0.411 0.919 0.595 CA 1.282 38 residues pruned to eliminate duplicates Z: 22 35.655 2.323 0.794 0.690 1.000 0.714 CA 1.569 22 residues pruned to eliminate duplicates Z: 18 11.741 1.970 0.279 0.383 1.000 0.706 CB 1.279 18 residues pruned to eliminate duplicates Z: 52 20.607 1.945 0.240 0.478 0.941 0.569 CB 1.300 52 residues pruned to eliminate duplicates Z: 15 15.273 1.971 0.792 0.431 0.857 0.500 CA 1.448 13 residues pruned to eliminate duplicates Z: 22 10.783 1.888 0.299 0.394 0.762 0.524 CB 1.409 22 residues pruned to eliminate duplicates Z: 9 3.786 1.404 0.558 0.289 0.750 0.375 CB 1.034 Z: 8 4.126 1.731 0.322 0.212 0.857 0.571 CA 1.116 Z: 14 6.988 1.840 0.306 0.492 0.846 0.615 CB 0.961 14 residues pruned to eliminate duplicates Z: 24 18.777 2.111 0.482 0.363 0.913 0.478 CA 1.589 24 residues pruned to eliminate duplicates Z: 23 12.481 2.032 0.338 0.410 0.818 0.636 CB 1.315 32 residues pruned to eliminate duplicates Z: 7 3.870 1.647 0.023 0.495 0.833 0.667 N 1.131 Z: 25 17.940 2.145 0.637 0.326 0.833 0.417 CA 1.515 25 residues pruned to eliminate duplicates Z: 10 12.601 1.676 0.624 0.718 1.000 0.444 CA 1.266 10 residues pruned to eliminate duplicates Z: 13 9.769 1.847 0.348 0.396 0.833 0.667 C 1.518 13 residues pruned to eliminate duplicates Z: 12 7.676 1.550 0.619 0.303 1.000 0.273 CB 1.149 12 residues pruned to eliminate duplicates Z: 67 37.808 2.099 0.467 0.585 0.939 0.606 CA 1.483 67 residues pruned to eliminate duplicates Z: 11 8.903 1.775 0.218 0.829 0.900 0.900 CA 1.089 11 residues pruned to eliminate duplicates Z: 7 3.255 1.711 0.413 0.282 0.667 0.500 CA 1.054 7 residues pruned to eliminate duplicates 7 1.997 1.788 -0.029 0.161 0.667 0.167 CB 1.065 ? Z: 20 15.585 1.976 0.577 0.503 0.947 0.684 CA 1.208 20 residues pruned to eliminate duplicates Z: 31 20.018 2.068 0.532 0.623 0.767 0.633 CB 1.339 35 residues pruned to eliminate duplicates Z: 8 4.777 1.670 0.117 0.512 0.857 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 12 8.810 1.940 0.181 0.611 1.000 0.727 CA 1.044 12 residues pruned to eliminate duplicates Z: 8 5.963 1.729 0.410 0.486 1.000 0.571 CA 0.938 8 residues pruned to eliminate duplicates Z: 8 3.924 1.590 0.141 0.448 0.857 0.571 CB 1.006 Z: 13 5.491 1.706 0.383 0.324 0.750 0.417 CB 1.087 13 residues pruned to eliminate duplicates Z: 18 12.344 2.006 0.427 0.373 0.824 0.588 CA 1.455 18 residues pruned to eliminate duplicates Z: 64 37.485 2.022 0.645 0.549 0.968 0.667 CA 1.398 64 residues pruned to eliminate duplicates Z: 14 10.199 1.730 0.484 0.410 0.846 0.692 CA 1.432 14 residues pruned to eliminate duplicates Z: 6 6.871 1.661 0.726 0.438 0.800 0.600 C 1.429 Z: 8 9.964 1.796 0.280 0.884 1.000 1.000 CA 1.184 8 residues pruned to eliminate duplicates Z: 21 8.127 1.915 0.229 0.339 0.850 0.600 CB 1.083 21 residues pruned to eliminate duplicates Z: 7 3.127 1.840 0.064 0.426 0.833 0.500 CB 0.845 7 residues pruned to eliminate duplicates Z: 64 41.092 2.040 0.631 0.572 0.968 0.714 CA 1.499 54 residues pruned to eliminate duplicates Z: 6 7.701 1.956 0.636 0.781 0.800 0.400 CB 1.050 6 residues pruned to eliminate duplicates Z: 11 8.958 2.044 0.330 0.845 1.000 0.600 CB 0.775 11 residues pruned to eliminate duplicates 9 1.648 1.636 0.192 0.204 0.625 0.375 N 0.679 ? Z: 10 10.982 1.699 0.326 0.662 1.000 0.667 N 1.399 10 residues pruned to eliminate duplicates Z: 21 21.835 2.025 0.807 0.499 0.900 0.600 CB 1.485 21 residues pruned to eliminate duplicates Z: 17 21.971 2.055 0.730 0.819 0.875 0.688 CB 1.339 17 residues pruned to eliminate duplicates Z: 9 3.128 1.411 0.774 0.178 0.625 0.500 CB 1.042 9 residues pruned to eliminate duplicates Z: 26 14.323 1.894 0.265 0.432 0.960 0.600 CA 1.335 24 residues pruned to eliminate duplicates Z: 9 7.029 1.779 0.365 0.438 0.750 0.625 CA 1.453 10 residues pruned to eliminate duplicates Z: 19 16.982 2.195 0.524 0.410 0.889 0.611 CA 1.479 19 residues pruned to eliminate duplicates Z: 22 30.509 1.998 0.865 0.917 0.905 0.571 CB 1.393 22 residues pruned to eliminate duplicates Z: 44 19.996 1.926 0.315 0.461 0.907 0.581 CA 1.381 44 residues pruned to eliminate duplicates Z: 7 3.716 1.634 0.370 0.192 0.833 0.333 C 1.175 7 residues pruned to eliminate duplicates Z: 7 8.404 1.945 0.318 0.615 0.833 0.667 CA 1.440 7 residues pruned to eliminate duplicates Z: 23 26.598 2.232 0.525 0.641 0.955 0.545 CA 1.531 23 residues pruned to eliminate duplicates 6 1.612 1.322 0.281 0.299 0.800 0.600 N 0.666 ? Z: 23 17.651 1.968 0.268 0.604 0.909 0.682 CB 1.503 23 residues pruned to eliminate duplicates Z: 8 2.423 1.649 0.156 0.322 0.571 0.429 CB 1.022 8 residues pruned to eliminate duplicates Z: 6 4.733 1.722 0.189 0.560 0.800 0.600 CA 1.219 Z: 11 12.324 1.713 0.423 0.917 1.000 0.900 CB 1.129 11 residues pruned to eliminate duplicates Z: 14 23.105 2.221 0.567 0.836 1.000 0.538 CB 1.378 14 residues pruned to eliminate duplicates Z: 8 4.773 1.559 0.420 0.588 0.714 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 15 4.758 1.807 0.275 0.288 0.643 0.429 CB 1.090 15 residues pruned to eliminate duplicates Z: 6 2.128 1.433 0.258 0.291 0.600 0.400 C 1.112 Z: 12 11.339 1.897 0.542 0.539 1.000 0.727 CB 1.125 12 residues pruned to eliminate duplicates Z: 28 15.699 1.881 0.475 0.402 0.852 0.481 CB 1.418 28 residues pruned to eliminate duplicates Z: 19 12.076 1.858 0.585 0.395 0.833 0.500 CA 1.295 20 residues pruned to eliminate duplicates Z: 6 3.928 1.695 0.408 0.546 1.000 0.200 CB 0.704 Z: 6 5.282 1.675 0.770 0.452 0.800 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 19 13.806 1.955 0.477 0.401 0.833 0.667 CB 1.501 19 residues pruned to eliminate duplicates 6 1.874 1.497 -0.110 0.298 1.000 0.600 CB 0.788 ? Z: 52 26.633 1.995 0.352 0.531 0.941 0.588 CA 1.425 52 residues pruned to eliminate duplicates Z: 6 2.105 1.380 -0.142 0.507 1.000 0.400 C 0.789 Z: 8 5.995 1.487 0.378 0.393 1.000 0.857 N 1.237 Z: 17 9.752 1.770 0.438 0.367 0.812 0.500 CB 1.359 14 residues pruned to eliminate duplicates Z: 27 14.581 2.029 0.420 0.390 0.769 0.462 CA 1.450 27 residues pruned to eliminate duplicates Z: 8 3.504 1.654 0.054 0.547 0.857 0.714 CB 0.846 8 residues pruned to eliminate duplicates Z: 7 6.623 1.555 0.593 0.639 0.833 0.500 CA 1.150 Z: 6 4.554 1.642 0.075 0.768 1.000 0.600 CB 0.910 Z: 10 9.875 1.898 0.540 0.517 0.778 0.667 CB 1.423 10 residues pruned to eliminate duplicates Z: 54 38.312 2.118 0.584 0.574 0.925 0.642 CA 1.579 54 residues pruned to eliminate duplicates Z: 27 23.771 2.065 0.558 0.518 0.962 0.654 CB 1.480 27 residues pruned to eliminate duplicates Z: 18 13.479 1.982 0.309 0.493 1.000 0.353 CB 1.269 18 residues pruned to eliminate duplicates Z: 63 37.248 1.993 0.701 0.536 0.935 0.484 CB 1.439 41 residues pruned to eliminate duplicates Z: 6 3.596 1.533 0.151 0.472 0.800 0.400 C 1.172 Z: 8 9.387 1.918 0.223 0.610 1.000 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 26 16.420 1.922 0.549 0.338 0.960 0.360 CB 1.370 26 residues pruned to eliminate duplicates Z: 11 4.435 1.692 0.661 0.145 0.800 0.200 CB 0.967 8 residues pruned to eliminate duplicates Z: 7 5.354 1.594 0.215 0.664 0.833 0.500 N 1.164 7 residues pruned to eliminate duplicates Z: 54 23.699 1.979 0.354 0.447 0.887 0.509 CA 1.448 54 residues pruned to eliminate duplicates Z: 10 11.383 1.744 0.572 0.800 1.000 0.667 CA 1.065 10 residues pruned to eliminate duplicates Z: 46 35.232 2.202 0.460 0.625 0.956 0.556 CB 1.518 46 residues pruned to eliminate duplicates Z: 9 7.621 1.897 0.473 0.475 0.750 0.250 CA 1.319 9 residues pruned to eliminate duplicates Z: 71 50.229 2.201 0.662 0.579 0.957 0.629 CB 1.589 71 residues pruned to eliminate duplicates Z: 7 2.283 1.416 0.545 0.163 0.833 0.167 CA 0.771 7 residues pruned to eliminate duplicates Z: 21 24.317 2.010 0.373 0.885 1.000 0.650 CB 1.423 21 residues pruned to eliminate duplicates 10 1.976 1.504 0.287 0.252 0.556 0.444 N 0.814 ? Z: 24 31.352 1.873 0.804 0.908 1.000 0.565 CB 1.374 24 residues pruned to eliminate duplicates Z: 9 11.821 1.974 0.398 0.675 0.875 0.750 CA 1.473 9 residues pruned to eliminate duplicates Z: 6 9.309 2.101 0.286 0.527 1.000 0.800 CA 1.500 6 residues pruned to eliminate duplicates Z: 33 19.244 1.963 0.426 0.441 0.875 0.531 CA 1.475 33 residues pruned to eliminate duplicates Z: 11 18.218 1.815 0.860 0.908 1.000 0.800 CA 1.212 11 residues pruned to eliminate duplicates Z: 21 34.365 2.010 0.956 0.909 1.000 0.550 CB 1.387 19 residues pruned to eliminate duplicates Z: 7 3.475 1.496 -0.072 0.461 0.833 0.333 N 1.276 Z: 8 4.694 1.692 0.239 0.335 0.857 0.429 CB 1.183 8 residues pruned to eliminate duplicates Z: 16 12.337 1.926 0.340 0.443 0.933 0.267 CA 1.402 16 residues pruned to eliminate duplicates Z: 20 13.883 2.013 0.649 0.286 0.842 0.526 CA 1.449 20 residues pruned to eliminate duplicates Z: 6 4.104 1.729 0.151 0.395 1.000 0.600 CB 1.031 Z: 6 3.208 1.599 -0.008 0.299 1.000 0.400 CA 1.132 Z: 7 4.158 1.668 -0.037 0.663 1.000 0.667 CA 0.908 7 residues pruned to eliminate duplicates Z: 7 16.870 2.161 0.659 0.769 1.000 0.833 CA 1.514 7 residues pruned to eliminate duplicates Z: 6 3.848 1.629 0.393 0.547 0.800 0.600 N 0.906 6 residues pruned to eliminate duplicates Z: 7 2.997 1.742 0.048 0.530 0.667 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 56 23.660 1.903 0.347 0.449 0.927 0.545 CB 1.414 56 residues pruned to eliminate duplicates Z: 15 8.444 1.879 0.099 0.433 0.929 0.643 CA 1.261 15 residues pruned to eliminate duplicates Z: 8 4.718 1.558 0.392 0.475 0.857 0.571 CB 0.984 Z: 12 15.642 2.047 0.546 0.563 0.909 0.818 CB 1.541 12 residues pruned to eliminate duplicates Z: 49 42.303 2.212 0.705 0.649 0.917 0.604 CB 1.537 49 residues pruned to eliminate duplicates Z: 7 2.448 1.305 -0.113 0.539 0.833 0.667 CA 0.997 Z: 7 7.194 1.672 0.295 0.738 1.000 0.833 CA 1.096 7 residues pruned to eliminate duplicates Z: 41 21.827 1.960 0.405 0.443 0.950 0.575 CA 1.399 41 residues pruned to eliminate duplicates Z: 21 15.378 1.999 0.428 0.399 0.800 0.550 N 1.674 21 residues pruned to eliminate duplicates Z: 14 14.773 1.988 0.507 0.677 0.923 0.769 CB 1.259 15 residues pruned to eliminate duplicates Z: 22 22.002 2.103 0.659 0.476 0.952 0.619 CA 1.481 22 residues pruned to eliminate duplicates Z: 10 10.409 1.808 0.732 0.550 0.778 0.778 CA 1.356 10 residues pruned to eliminate duplicates Z: 8 5.023 1.598 0.498 0.407 0.857 0.571 CA 1.021 8 residues pruned to eliminate duplicates Z: 7 14.932 1.959 0.725 0.879 1.000 0.333 CB 1.308 7 residues pruned to eliminate duplicates Z: 6 2.212 1.345 0.705 0.715 1.000 0.600 CB 0.355 8 1.508 1.218 0.743 0.213 0.429 0.286 O 0.879 ? Z: 9 11.159 1.794 0.473 0.867 1.000 0.750 CA 1.092 Z: 6 4.503 1.714 0.009 0.663 0.800 0.600 C 1.251 6 residues pruned to eliminate duplicates Z: 36 18.282 1.916 0.478 0.487 0.829 0.629 CB 1.335 35 residues pruned to eliminate duplicates Z: 8 4.297 1.756 0.499 0.601 0.714 0.571 CB 0.784 8 residues pruned to eliminate duplicates Z: 21 12.638 1.917 0.526 0.370 0.800 0.500 CA 1.388 21 residues pruned to eliminate duplicates Z: 7 4.320 1.615 0.485 0.381 0.833 0.333 CB 1.001 Z: 8 11.650 2.069 0.261 0.833 1.000 0.714 CB 1.266 8 residues pruned to eliminate duplicates Z: 12 7.473 1.729 0.280 0.492 1.000 0.273 CB 1.026 12 residues pruned to eliminate duplicates Z: 45 41.542 2.187 0.667 0.670 1.000 0.659 CA 1.469 45 residues pruned to eliminate duplicates Z: 25 13.206 1.847 0.345 0.425 0.875 0.583 CB 1.340 25 residues pruned to eliminate duplicates Z: 7 9.007 1.914 0.508 0.875 0.833 0.667 CB 1.111 7 residues pruned to eliminate duplicates Z: 33 24.272 2.040 0.522 0.642 0.844 0.406 CB 1.434 33 residues pruned to eliminate duplicates Z: 28 15.052 1.905 0.328 0.416 0.889 0.630 CA 1.407 28 residues pruned to eliminate duplicates Z: 6 7.238 1.985 0.121 0.593 1.000 0.800 CA 1.330 6 residues pruned to eliminate duplicates Z: 10 3.046 1.561 0.771 0.487 0.667 0.556 CB 0.558 5 residues pruned to eliminate duplicates Z: 19 22.715 1.889 0.481 0.909 1.000 0.667 CA 1.359 19 residues pruned to eliminate duplicates Z: 7 7.226 1.989 0.208 0.614 1.000 0.833 CB 1.102 7 residues pruned to eliminate duplicates Z: 13 20.312 1.774 0.927 0.870 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 7 6.868 1.857 0.161 0.676 0.833 0.667 CB 1.327 7 residues pruned to eliminate duplicates Z: 11 14.275 1.651 0.609 0.823 1.000 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 10 6.673 1.706 0.305 0.462 0.778 0.556 N 1.336 10 residues pruned to eliminate duplicates Z: 7 2.680 1.426 0.319 0.331 0.833 0.167 N 0.840 7 residues pruned to eliminate duplicates Z: 16 9.830 1.884 0.369 0.444 0.867 0.533 CB 1.203 16 residues pruned to eliminate duplicates Z: 9 6.547 1.887 0.121 0.534 1.000 0.750 CA 1.059 9 residues pruned to eliminate duplicates Z: 13 12.209 2.043 0.667 0.391 0.750 0.583 CA 1.549 13 residues pruned to eliminate duplicates Z: 16 19.987 1.881 0.551 0.849 1.000 0.600 CB 1.312 16 residues pruned to eliminate duplicates Z: 7 5.953 1.558 0.540 0.709 0.833 0.500 CB 1.005 5 residues pruned to eliminate duplicates Z: 12 5.757 1.576 0.179 0.543 0.909 0.636 CB 0.985 5 residues pruned to eliminate duplicates Z: 10 4.544 1.564 0.220 0.366 0.889 0.667 CB 1.031 9 residues pruned to eliminate duplicates Z: 7 2.932 1.394 0.384 0.309 0.833 0.667 N 0.919 Z: 24 10.169 1.875 0.598 0.349 0.739 0.522 CB 1.128 24 residues pruned to eliminate duplicates Z: 12 9.870 1.660 0.417 0.515 1.000 0.727 CB 1.247 12 residues pruned to eliminate duplicates Z: 25 15.799 1.949 0.417 0.483 0.917 0.625 CA 1.296 27 residues pruned to eliminate duplicates Z: 9 4.990 1.625 0.130 0.356 0.875 0.500 O 1.282 6 residues pruned to eliminate duplicates Z: 43 17.674 1.878 0.325 0.412 0.881 0.571 CB 1.364 43 residues pruned to eliminate duplicates Z: 33 12.730 1.898 0.262 0.385 0.906 0.562 CB 1.171 32 residues pruned to eliminate duplicates Z: 11 12.062 1.989 0.714 0.562 0.900 0.500 CB 1.170 11 residues pruned to eliminate duplicates Z: 19 9.705 1.890 0.173 0.438 0.944 0.722 CB 1.164 19 residues pruned to eliminate duplicates Z: 8 3.066 1.472 0.253 0.256 0.714 0.571 C 1.164 Z: 25 22.020 2.178 0.494 0.509 0.917 0.625 CB 1.494 25 residues pruned to eliminate duplicates Z: 6 3.056 1.463 0.359 0.435 0.800 0.800 CB 0.919 Z: 6 6.830 1.589 0.238 0.605 1.000 0.800 C 1.405 Z: 11 4.520 1.479 0.256 0.382 0.900 0.800 CB 0.970 10 residues pruned to eliminate duplicates Z: 15 7.297 1.785 0.184 0.455 0.857 0.500 CA 1.127 15 residues pruned to eliminate duplicates Z: 11 15.088 1.815 1.023 0.837 0.900 0.500 CB 1.080 11 residues pruned to eliminate duplicates 6 1.092 1.115 0.413 0.300 0.800 0.400 N 0.484 ? Z: 8 3.055 1.481 0.120 0.544 0.714 0.571 CA 0.934 Z: 14 14.566 1.880 0.564 0.538 0.923 0.769 CB 1.434 14 residues pruned to eliminate duplicates 6 1.679 1.190 0.940 0.473 0.800 0.600 CB 0.418 ? Z: 10 8.102 1.710 0.159 0.745 0.778 0.444 CA 1.407 10 residues pruned to eliminate duplicates Z: 8 3.018 1.453 0.265 0.213 0.857 0.429 CB 1.014 8 residues pruned to eliminate duplicates Z: 11 8.157 1.874 0.037 0.606 1.000 0.600 N 1.201 11 residues pruned to eliminate duplicates Z: 7 5.998 1.473 0.662 0.528 1.000 0.667 CA 0.973 Z: 32 23.781 2.156 0.675 0.350 0.871 0.387 CB 1.597 32 residues pruned to eliminate duplicates Z: 6 11.139 2.024 0.839 0.635 1.000 0.800 CA 1.179 6 residues pruned to eliminate duplicates Z: 25 14.726 1.898 0.338 0.488 0.875 0.625 CB 1.369 25 residues pruned to eliminate duplicates Z: 7 4.182 1.328 0.372 0.361 1.000 0.500 N 1.089 Z: 18 24.667 2.052 0.648 0.891 0.941 0.529 CA 1.352 18 residues pruned to eliminate duplicates Z: 31 27.315 2.145 0.770 0.487 0.900 0.567 CB 1.479 31 residues pruned to eliminate duplicates Z: 14 5.516 1.800 -0.022 0.288 0.846 0.462 CA 1.304 14 residues pruned to eliminate duplicates Z: 19 11.334 1.942 0.689 0.197 0.778 0.389 CB 1.503 19 residues pruned to eliminate duplicates Z: 7 8.487 1.830 0.455 0.481 1.000 0.667 CA 1.326 7 residues pruned to eliminate duplicates 7 1.850 1.479 0.062 0.248 0.667 0.500 C 0.965 ? Z: 10 10.628 1.915 0.532 0.472 1.000 0.889 CA 1.243 10 residues pruned to eliminate duplicates Z: 6 4.135 1.680 0.154 0.451 0.800 0.600 C 1.254 6 residues pruned to eliminate duplicates Z: 6 2.071 1.420 0.278 0.479 0.800 0.400 N 0.651 Z: 8 6.713 1.657 0.332 0.502 0.857 0.429 CA 1.337 8 residues pruned to eliminate duplicates Z: 14 22.812 2.013 0.388 0.916 1.000 1.000 CA 1.600 14 residues pruned to eliminate duplicates Z: 21 18.839 2.060 0.640 0.570 0.800 0.450 CA 1.457 21 residues pruned to eliminate duplicates Z: 20 21.267 1.924 0.528 0.879 1.000 0.579 CB 1.204 20 residues pruned to eliminate duplicates Z: 15 4.310 1.718 0.131 0.301 0.714 0.429 CB 1.036 15 residues pruned to eliminate duplicates Z: 6 2.368 1.206 0.482 0.702 0.800 0.600 CB 0.616 Z: 18 7.853 1.813 0.121 0.380 0.824 0.529 CB 1.293 18 residues pruned to eliminate duplicates Z: 54 21.432 1.952 0.376 0.408 0.849 0.528 CB 1.422 54 residues pruned to eliminate duplicates Z: 6 2.738 1.111 0.600 0.437 0.800 0.600 CB 0.918 Z: 7 7.009 1.756 0.788 0.620 0.833 0.667 CB 0.977 Z: 8 5.671 1.724 0.760 0.603 0.857 0.714 CB 0.747 7 residues pruned to eliminate duplicates Z: 7 3.970 1.718 0.319 0.421 0.667 0.500 C 1.165 Z: 44 18.080 1.890 0.336 0.415 0.860 0.465 CA 1.386 44 residues pruned to eliminate duplicates Z: 27 15.721 2.032 0.472 0.278 0.846 0.500 CA 1.565 27 residues pruned to eliminate duplicates Z: 13 13.189 2.016 0.319 0.594 1.000 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 39 30.208 2.063 0.667 0.605 0.895 0.579 CA 1.440 39 residues pruned to eliminate duplicates Z: 15 7.499 1.661 0.577 0.424 0.786 0.429 CB 1.054 23 residues pruned to eliminate duplicates Z: 10 2.542 1.572 0.400 0.362 0.556 0.556 CB 0.804 Z: 9 5.511 1.548 0.203 0.497 0.875 0.750 CA 1.199 9 residues pruned to eliminate duplicates Z: 6 6.077 1.440 0.910 0.426 1.000 0.800 O 1.067 Z: 6 2.899 1.353 0.537 0.420 0.800 0.600 CB 0.847 Z: 23 10.042 1.793 0.430 0.422 0.818 0.591 CB 1.107 23 residues pruned to eliminate duplicates Z: 24 13.325 1.858 0.387 0.435 0.870 0.522 CA 1.326 24 residues pruned to eliminate duplicates Z: 20 8.923 1.846 0.242 0.434 0.842 0.421 CB 1.135 20 residues pruned to eliminate duplicates Z: 14 13.508 2.014 0.404 0.585 0.923 0.923 CB 1.324 14 residues pruned to eliminate duplicates Z: 64 44.283 2.019 0.733 0.619 0.952 0.524 CB 1.495 64 residues pruned to eliminate duplicates Z: 19 20.710 1.947 0.531 0.855 0.833 0.333 CA 1.450 19 residues pruned to eliminate duplicates Z: 31 28.316 2.036 0.345 0.760 1.000 0.800 CB 1.499 31 residues pruned to eliminate duplicates Z: 20 10.765 1.933 0.109 0.455 0.947 0.526 CB 1.273 20 residues pruned to eliminate duplicates Z: 26 18.230 2.002 0.417 0.471 0.960 0.520 CB 1.378 26 residues pruned to eliminate duplicates Z: 27 17.672 1.970 0.316 0.468 1.000 0.654 CA 1.381 27 residues pruned to eliminate duplicates Z: 11 2.369 1.701 0.534 0.251 0.500 0.500 CB 0.765 11 residues pruned to eliminate duplicates Z: 14 5.237 1.617 0.208 0.317 0.923 0.615 CB 0.987 14 residues pruned to eliminate duplicates Z: 19 15.770 2.029 0.401 0.624 0.944 0.833 CB 1.232 19 residues pruned to eliminate duplicates Z: 8 5.603 1.680 0.380 0.746 0.857 0.857 CB 0.855 Z: 17 11.139 1.871 0.365 0.462 0.875 0.688 CA 1.296 17 residues pruned to eliminate duplicates Z: 7 2.850 1.328 0.403 0.235 0.833 0.500 CB 1.020 Z: 7 4.423 1.705 -0.007 0.631 0.833 0.833 CB 1.131 7 residues pruned to eliminate duplicates Z: 6 4.177 1.551 0.344 0.609 1.000 0.400 CA 0.808 Z: 21 19.114 2.065 0.828 0.339 0.950 0.500 CB 1.421 21 residues pruned to eliminate duplicates Z: 12 6.829 1.704 0.425 0.450 0.727 0.636 CB 1.227 7 residues pruned to eliminate duplicates 7 1.712 1.482 0.186 0.394 0.500 0.333 CB 0.889 ? Z: 7 2.554 1.636 0.033 0.394 0.833 0.667 CB 0.828 Z: 23 10.029 1.769 0.224 0.431 0.864 0.455 CB 1.227 23 residues pruned to eliminate duplicates 6 1.942 1.462 0.201 0.300 0.600 0.400 CA 1.031 ? Z: 33 25.261 2.066 0.889 0.442 0.844 0.562 CB 1.439 33 residues pruned to eliminate duplicates Z: 10 3.832 1.381 0.667 0.346 0.889 0.444 CB 0.738 Z: 20 13.010 1.786 0.397 0.510 0.947 0.632 CA 1.251 19 residues pruned to eliminate duplicates Z: 12 16.781 1.698 0.974 0.911 1.000 0.545 CB 1.069 12 residues pruned to eliminate duplicates Z: 7 3.767 1.445 0.258 0.412 1.000 0.333 CB 0.928 7 residues pruned to eliminate duplicates Z: 7 9.628 1.819 0.368 0.874 1.000 1.000 CA 1.150 7 residues pruned to eliminate duplicates Z: 26 23.631 2.009 0.551 0.714 0.960 0.800 CA 1.301 27 residues pruned to eliminate duplicates Z: 6 2.750 1.187 0.466 0.830 1.000 0.600 CB 0.532 Z: 16 15.230 1.945 0.531 0.551 1.000 0.600 CB 1.257 16 residues pruned to eliminate duplicates Z: 12 7.561 1.538 0.511 0.443 0.909 0.545 CA 1.145 12 residues pruned to eliminate duplicates 6 1.794 1.487 0.382 0.278 0.600 0.400 CB 0.836 ? Z: 8 2.571 1.298 0.306 0.283 0.857 0.429 CA 0.854 Z: 55 38.057 2.154 0.502 0.598 0.944 0.444 CA 1.545 55 residues pruned to eliminate duplicates Z: 19 11.340 1.850 0.368 0.417 0.889 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 14 15.090 2.109 0.444 0.561 0.846 0.615 CB 1.531 14 residues pruned to eliminate duplicates Z: 10 5.477 1.596 0.330 0.452 0.778 0.667 CB 1.162 Z: 12 16.734 2.027 0.620 0.532 1.000 0.818 CB 1.489 12 residues pruned to eliminate duplicates Z: 13 14.584 1.919 0.523 0.645 1.000 0.917 CB 1.258 13 residues pruned to eliminate duplicates Z: 18 12.594 1.950 0.235 0.601 0.941 0.647 CB 1.224 18 residues pruned to eliminate duplicates Z: 32 15.793 1.895 0.458 0.356 0.871 0.484 CB 1.378 27 residues pruned to eliminate duplicates Z: 23 22.932 2.033 0.569 0.650 1.000 0.818 CA 1.333 23 residues pruned to eliminate duplicates Z: 10 8.284 1.444 0.609 0.608 1.000 0.889 CB 1.072 10 residues pruned to eliminate duplicates Z: 6 2.512 1.416 0.188 0.285 0.800 0.600 CA 1.064 Z: 14 6.786 1.667 0.266 0.385 0.923 0.462 CA 1.092 14 residues pruned to eliminate duplicates Z: 6 5.263 1.530 0.944 0.583 0.800 0.600 CB 0.913 Z: 9 4.603 1.711 0.580 0.184 0.625 0.250 CA 1.408 Z: 6 3.290 1.688 0.231 0.387 0.800 0.600 CB 0.998 Z: 20 43.528 2.256 0.825 0.925 1.000 0.684 CB 1.702 20 residues pruned to eliminate duplicates Z: 6 2.530 1.335 0.568 0.616 0.800 0.600 C 0.606 Z: 7 3.313 1.489 0.233 0.404 0.833 0.667 CB 0.978 Z: 8 3.352 1.690 0.271 0.214 0.571 0.429 O 1.445 6 0.873 1.334 0.217 0.300 0.800 0.400 CB 0.376 ? Z: 18 22.588 1.968 0.737 0.907 0.882 0.412 CA 1.291 18 residues pruned to eliminate duplicates Z: 6 3.463 1.278 0.936 0.625 1.000 0.600 CB 0.556 Z: 11 7.029 1.851 0.226 0.449 0.800 0.300 CA 1.291 11 residues pruned to eliminate duplicates Z: 17 9.054 1.766 0.313 0.379 0.812 0.625 CA 1.366 17 residues pruned to eliminate duplicates Z: 6 4.208 1.556 0.115 0.480 1.000 0.600 CB 1.107 6 residues pruned to eliminate duplicates Z: 29 17.253 1.954 0.528 0.406 0.857 0.429 CA 1.406 29 residues pruned to eliminate duplicates Z: 7 2.501 1.326 0.375 0.285 0.667 0.333 CB 1.070 7 residues pruned to eliminate duplicates Z: 13 13.971 2.020 0.659 0.572 0.917 0.500 CA 1.225 13 residues pruned to eliminate duplicates Z: 21 12.172 1.923 0.244 0.549 0.950 0.600 CB 1.142 21 residues pruned to eliminate duplicates Z: 75 31.482 2.064 0.506 0.451 0.851 0.500 CB 1.454 82 residues pruned to eliminate duplicates Z: 9 8.022 1.540 0.507 0.577 0.875 0.750 C 1.297 15 residues pruned to eliminate duplicates Z: 11 2.680 1.391 0.267 0.331 0.700 0.500 CA 0.827 Z: 10 3.261 1.393 0.592 0.283 0.667 0.444 C 0.939 Z: 15 15.152 2.025 0.359 0.746 0.929 0.571 CB 1.272 15 residues pruned to eliminate duplicates Z: 7 3.480 1.505 0.426 0.506 0.833 0.667 CB 0.790 Z: 14 7.138 1.902 0.158 0.289 0.769 0.615 CA 1.481 14 residues pruned to eliminate duplicates Z: 6 3.729 1.308 0.952 0.513 0.800 0.600 N 0.807 Z: 12 6.672 1.583 0.537 0.339 0.909 0.545 CA 1.084 12 residues pruned to eliminate duplicates Z: 9 10.282 1.805 0.882 0.610 0.875 0.875 CA 1.103 9 residues pruned to eliminate duplicates Z: 22 33.951 2.003 0.757 0.933 1.000 0.714 CB 1.470 22 residues pruned to eliminate duplicates Z: 9 2.350 1.442 0.448 0.241 0.875 0.500 CA 0.614 9 residues pruned to eliminate duplicates Z: 8 4.903 1.052 0.731 0.758 1.000 0.571 CA 0.809 Z: 26 18.175 1.990 0.519 0.484 0.880 0.480 CA 1.389 26 residues pruned to eliminate duplicates Z: 17 6.529 1.585 0.375 0.350 0.750 0.562 CB 1.174 Z: 8 3.566 1.675 0.071 0.484 0.857 0.286 CB 0.891 Z: 12 9.505 1.995 0.347 0.327 0.909 0.455 CA 1.418 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.830 1.572 0.448 0.661 1.000 0.800 CB 0.818 6 residues pruned to eliminate duplicates Z: 6 4.376 1.823 0.133 0.694 0.800 0.600 CB 0.992 6 residues pruned to eliminate duplicates Z: 29 10.040 1.737 0.361 0.384 0.786 0.393 CB 1.156 29 residues pruned to eliminate duplicates Z: 12 8.187 1.797 0.733 0.296 0.909 0.455 CB 1.096 12 residues pruned to eliminate duplicates Z: 58 25.117 1.972 0.342 0.469 0.930 0.596 CB 1.395 58 residues pruned to eliminate duplicates Z: 20 9.019 1.783 0.401 0.369 0.842 0.421 CB 1.132 20 residues pruned to eliminate duplicates Z: 20 10.042 1.865 0.322 0.412 0.895 0.474 CB 1.145 20 residues pruned to eliminate duplicates Z: 49 21.056 1.943 0.318 0.440 0.917 0.562 CB 1.377 49 residues pruned to eliminate duplicates Z: 26 10.775 1.779 0.398 0.360 0.840 0.480 CB 1.199 26 residues pruned to eliminate duplicates Z: 52 22.686 1.985 0.298 0.437 0.902 0.490 CA 1.459 52 residues pruned to eliminate duplicates Z: 17 8.804 1.957 0.238 0.376 0.812 0.375 CB 1.276 17 residues pruned to eliminate duplicates Z: 54 26.691 2.015 0.448 0.452 0.925 0.547 CB 1.427 54 residues pruned to eliminate duplicates Z: 6 2.538 1.424 0.252 0.188 0.800 0.600 CA 1.158 6 residues pruned to eliminate duplicates Z: 49 21.583 1.931 0.322 0.422 0.958 0.625 CA 1.380 49 residues pruned to eliminate duplicates Z: 41 20.225 1.979 0.339 0.394 0.925 0.550 CA 1.459 41 residues pruned to eliminate duplicates Z: 61 24.476 1.951 0.376 0.440 0.917 0.467 CB 1.366 61 residues pruned to eliminate duplicates Z: 44 21.333 1.947 0.311 0.471 0.907 0.581 CB 1.446 44 residues pruned to eliminate duplicates Z: 55 24.089 1.943 0.393 0.426 0.926 0.481 CA 1.414 55 residues pruned to eliminate duplicates Z: 63 24.008 1.956 0.401 0.415 0.919 0.532 CB 1.323 63 residues pruned to eliminate duplicates Z: 42 23.469 2.018 0.363 0.483 0.976 0.585 CA 1.390 42 residues pruned to eliminate duplicates Z: 45 22.977 1.951 0.401 0.459 0.932 0.523 CB 1.418 45 residues pruned to eliminate duplicates Z: 47 18.767 1.939 0.279 0.409 0.891 0.457 CA 1.376 47 residues pruned to eliminate duplicates Z: 54 22.756 1.996 0.333 0.443 0.906 0.415 CB 1.376 54 residues pruned to eliminate duplicates Z: 34 18.368 1.945 0.415 0.380 0.909 0.606 CA 1.452 34 residues pruned to eliminate duplicates Z: 53 25.560 1.986 0.443 0.461 0.923 0.596 CA 1.394 53 residues pruned to eliminate duplicates Z: 39 20.282 1.929 0.355 0.477 0.947 0.553 CA 1.360 39 residues pruned to eliminate duplicates Z: 60 26.160 1.998 0.389 0.462 0.898 0.542 CB 1.419 60 residues pruned to eliminate duplicates Z: 60 24.270 1.980 0.351 0.434 0.915 0.576 CA 1.381 60 residues pruned to eliminate duplicates Z: 42 23.770 1.995 0.388 0.499 0.927 0.634 CA 1.448 42 residues pruned to eliminate duplicates Z: 41 21.245 1.971 0.343 0.426 0.925 0.575 CA 1.482 41 residues pruned to eliminate duplicates Z: 54 26.729 2.008 0.427 0.454 0.925 0.585 CA 1.453 54 residues pruned to eliminate duplicates 6 1.738 1.581 0.063 0.393 1.000 0.400 CA 0.518 ? Z: 6 4.941 1.546 0.989 0.306 0.800 0.400 CA 1.115 6 residues pruned to eliminate duplicates Z: 13 14.541 2.070 0.710 0.557 0.833 0.500 CA 1.346 13 residues pruned to eliminate duplicates Z: 12 14.691 2.124 0.649 0.638 0.818 0.545 CA 1.360 12 residues pruned to eliminate duplicates Z: 12 14.151 2.090 0.453 0.709 0.909 0.636 CB 1.278 12 residues pruned to eliminate duplicates Z: 44 20.548 2.009 0.315 0.470 0.884 0.558 CB 1.383 44 residues pruned to eliminate duplicates Z: 45 22.298 1.943 0.421 0.465 0.909 0.545 CB 1.387 45 residues pruned to eliminate duplicates Z: 54 26.448 1.994 0.418 0.446 0.925 0.566 CB 1.468 54 residues pruned to eliminate duplicates Z: 60 24.818 1.992 0.370 0.416 0.932 0.492 CB 1.386 60 residues pruned to eliminate duplicates Z: 54 24.928 1.990 0.396 0.440 0.943 0.585 CB 1.389 54 residues pruned to eliminate duplicates Z: 14 15.571 2.045 0.634 0.550 0.923 0.462 CB 1.333 14 residues pruned to eliminate duplicates Z: 6 5.171 1.845 0.181 0.461 0.800 0.600 CA 1.381 5 residues pruned to eliminate duplicates Z: 9 5.700 1.484 0.533 0.528 0.875 0.375 CB 0.984 9 residues pruned to eliminate duplicates Z: 20 8.699 1.712 0.513 0.280 0.789 0.421 CB 1.251 16 residues pruned to eliminate duplicates Z: 6 4.315 1.894 -0.096 0.319 1.000 0.200 CA 1.377 6 residues pruned to eliminate duplicates Z: 17 11.001 1.858 0.270 0.396 0.938 0.562 CA 1.388 21 residues pruned to eliminate duplicates Z: 6 3.698 1.815 0.093 0.400 0.800 0.400 CA 1.157 6 residues pruned to eliminate duplicates Z: 14 9.207 1.952 0.111 0.398 0.923 0.692 CA 1.422 14 residues pruned to eliminate duplicates Z: 15 10.682 1.944 0.159 0.402 1.000 0.429 CA 1.405 15 residues pruned to eliminate duplicates Z: 17 10.958 1.840 0.248 0.389 0.938 0.562 CA 1.431 19 residues pruned to eliminate duplicates Z: 7 2.546 1.469 0.152 0.371 0.833 0.667 CA 0.846 5 residues pruned to eliminate duplicates Z: 6 5.987 1.629 0.621 0.410 1.000 0.600 CA 1.114 6 residues pruned to eliminate duplicates Z: 11 10.552 1.714 0.229 0.607 1.000 0.600 CA 1.431 10 residues pruned to eliminate duplicates Z: 7 5.421 1.691 0.525 0.690 0.833 0.833 CA 0.865 7 residues pruned to eliminate duplicates Z: 7 4.848 1.867 0.618 0.397 0.833 0.500 CB 0.876 7 residues pruned to eliminate duplicates Z: 7 6.742 1.711 0.592 0.733 1.000 0.500 CA 0.820 7 residues pruned to eliminate duplicates Z: 16 8.081 1.824 0.320 0.400 0.867 0.200 CA 1.111 16 residues pruned to eliminate duplicates Z: 7 4.510 1.813 0.449 0.470 0.833 0.500 CA 0.867 7 residues pruned to eliminate duplicates Z: 10 5.081 1.807 0.345 0.470 0.667 0.333 CB 1.078 10 residues pruned to eliminate duplicates Z: 9 8.339 1.846 0.534 0.489 0.875 0.375 CA 1.203 10 residues pruned to eliminate duplicates Z: 16 5.547 1.670 0.404 0.334 0.733 0.333 CB 0.999 16 residues pruned to eliminate duplicates Z: 19 6.663 1.684 0.447 0.342 0.722 0.278 CB 1.059 19 residues pruned to eliminate duplicates Z: 15 8.036 1.813 0.498 0.410 0.786 0.286 CA 1.107 15 residues pruned to eliminate duplicates Z: 27 16.030 1.976 0.344 0.434 0.923 0.654 CB 1.373 27 residues pruned to eliminate duplicates Z: 26 17.635 2.004 0.478 0.406 0.880 0.560 CB 1.493 26 residues pruned to eliminate duplicates Z: 14 7.127 1.798 0.667 0.262 0.769 0.462 CB 1.125 14 residues pruned to eliminate duplicates Z: 11 6.217 1.781 0.496 0.269 0.800 0.400 CB 1.199 11 residues pruned to eliminate duplicates Z: 10 5.051 1.916 0.340 0.160 0.889 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 11 4.799 1.953 0.360 0.207 0.700 0.300 CB 1.155 11 residues pruned to eliminate duplicates Z: 11 4.965 1.926 0.251 0.223 0.800 0.600 CA 1.127 11 residues pruned to eliminate duplicates Z: 22 13.823 1.976 0.588 0.360 0.857 0.762 CB 1.305 22 residues pruned to eliminate duplicates Z: 21 14.890 1.884 0.381 0.500 0.950 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 13 14.433 2.093 0.424 0.564 0.917 0.833 CA 1.434 13 residues pruned to eliminate duplicates Z: 22 15.530 1.971 0.567 0.421 0.905 0.810 CA 1.317 22 residues pruned to eliminate duplicates Z: 22 11.125 2.004 0.270 0.364 0.857 0.667 CA 1.287 22 residues pruned to eliminate duplicates Z: 26 13.728 1.910 0.511 0.382 0.840 0.640 CA 1.284 25 residues pruned to eliminate duplicates Z: 6 3.146 1.687 0.824 0.281 0.600 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 10 10.445 2.066 0.577 0.450 0.778 0.667 CB 1.447 10 residues pruned to eliminate duplicates Z: 49 25.748 2.006 0.547 0.458 0.833 0.542 CA 1.501 95 residues pruned to eliminate duplicates Z: 23 13.560 1.933 0.399 0.385 0.864 0.682 CB 1.399 Z: 16 10.408 1.950 0.440 0.346 0.800 0.667 CB 1.413 15 residues pruned to eliminate duplicates Z: 14 13.253 2.029 0.498 0.389 0.923 0.615 CA 1.473 14 residues pruned to eliminate duplicates Z: 16 12.682 2.047 0.312 0.394 0.867 0.600 CA 1.573 17 residues pruned to eliminate duplicates Z: 10 6.366 1.747 0.340 0.420 0.778 0.444 CB 1.267 10 residues pruned to eliminate duplicates Z: 20 7.836 1.687 0.467 0.343 0.737 0.316 CB 1.170 15 residues pruned to eliminate duplicates Z: 11 6.066 1.637 0.309 0.406 0.800 0.300 CA 1.235 11 residues pruned to eliminate duplicates Z: 32 13.813 1.917 0.345 0.414 0.774 0.516 CB 1.360 28 residues pruned to eliminate duplicates Z: 6 4.813 1.654 0.308 0.634 0.800 0.800 CB 1.097 6 residues pruned to eliminate duplicates Z: 43 18.873 1.929 0.355 0.453 0.881 0.476 CB 1.326 32 residues pruned to eliminate duplicates Z: 6 7.804 1.893 0.486 0.596 0.800 0.400 CB 1.414 6 residues pruned to eliminate duplicates Z: 17 10.138 1.796 0.569 0.389 0.812 0.312 CB 1.245 17 residues pruned to eliminate duplicates Z: 6 3.910 1.588 0.514 0.323 0.800 0.200 CA 1.105 6 residues pruned to eliminate duplicates Z: 19 10.553 1.996 0.207 0.359 0.944 0.500 CB 1.273 19 residues pruned to eliminate duplicates Z: 9 5.725 1.755 0.551 0.322 0.750 0.250 CB 1.206 9 residues pruned to eliminate duplicates Z: 6 5.261 1.348 1.302 0.480 0.800 0.800 CA 0.967 6 residues pruned to eliminate duplicates Z: 14 14.020 2.031 0.594 0.470 0.923 0.769 CB 1.342 14 residues pruned to eliminate duplicates Z: 13 13.343 2.080 0.477 0.531 0.917 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 12 13.944 2.076 0.616 0.570 0.909 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 13 15.133 2.149 0.462 0.553 1.000 0.667 CB 1.321 13 residues pruned to eliminate duplicates Z: 20 14.131 2.128 0.285 0.392 0.895 0.526 CB 1.486 20 residues pruned to eliminate duplicates Z: 20 10.498 1.927 0.352 0.424 0.842 0.579 CB 1.187 19 residues pruned to eliminate duplicates Z: 6 5.883 1.591 0.357 0.455 1.000 0.800 O 1.276 6 residues pruned to eliminate duplicates Z: 30 17.540 2.050 0.511 0.361 0.862 0.621 CB 1.416 30 residues pruned to eliminate duplicates Z: 15 9.960 1.954 0.591 0.442 0.857 0.429 CB 1.060 15 residues pruned to eliminate duplicates Z: 11 7.929 2.048 0.332 0.359 0.700 0.500 CB 1.528 11 residues pruned to eliminate duplicates Z: 21 11.010 1.900 0.495 0.263 0.800 0.500 CB 1.419 21 residues pruned to eliminate duplicates Z: 11 10.230 2.083 0.512 0.392 0.800 0.400 CB 1.439 11 residues pruned to eliminate duplicates Z: 28 17.076 2.056 0.546 0.450 0.852 0.667 CB 1.277 28 residues pruned to eliminate duplicates Z: 15 6.648 1.915 0.456 0.252 0.643 0.429 CB 1.319 15 residues pruned to eliminate duplicates Z: 13 9.298 2.016 0.583 0.388 0.750 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 16 9.598 2.072 0.474 0.413 0.667 0.400 CB 1.333 16 residues pruned to eliminate duplicates Z: 11 5.277 1.776 0.449 0.224 0.700 0.400 CA 1.280 11 residues pruned to eliminate duplicates Z: 14 10.408 1.990 0.592 0.384 0.769 0.462 CB 1.341 14 residues pruned to eliminate duplicates Z: 39 45.462 2.231 0.717 0.705 1.000 0.789 CA 1.598 39 residues pruned to eliminate duplicates Z: 77 48.779 2.181 0.710 0.557 0.908 0.566 CB 1.563 77 residues pruned to eliminate duplicates Z: 83 49.043 2.199 0.648 0.557 0.915 0.561 CB 1.546 83 residues pruned to eliminate duplicates Z: 44 39.573 2.220 0.553 0.702 0.977 0.767 CA 1.491 44 residues pruned to eliminate duplicates Z: 30 35.308 2.264 0.599 0.728 0.966 0.759 CA 1.527 30 residues pruned to eliminate duplicates Z: 75 46.982 2.212 0.632 0.549 0.905 0.554 CB 1.592 75 residues pruned to eliminate duplicates Z: 57 40.948 2.205 0.453 0.592 1.000 0.589 CB 1.564 57 residues pruned to eliminate duplicates Z: 56 36.195 2.120 0.632 0.549 0.891 0.618 CB 1.510 56 residues pruned to eliminate duplicates Z: 78 47.698 2.185 0.711 0.545 0.909 0.506 CB 1.530 78 residues pruned to eliminate duplicates Z: 45 38.070 2.175 0.620 0.679 0.977 0.614 CA 1.414 45 residues pruned to eliminate duplicates Z: 73 49.420 2.209 0.674 0.557 0.958 0.528 CB 1.554 73 residues pruned to eliminate duplicates Z: 24 31.806 2.262 0.652 0.655 0.957 0.522 CA 1.606 24 residues pruned to eliminate duplicates Z: 41 41.179 2.189 0.845 0.657 0.950 0.575 CB 1.467 41 residues pruned to eliminate duplicates Z: 27 26.038 2.134 0.733 0.537 0.962 0.615 CA 1.384 27 residues pruned to eliminate duplicates Z: 56 45.789 2.214 0.674 0.608 0.982 0.582 CA 1.532 56 residues pruned to eliminate duplicates Z: 30 40.858 2.237 0.880 0.718 0.966 0.586 CA 1.534 30 residues pruned to eliminate duplicates Z: 77 44.894 2.168 0.615 0.526 0.947 0.592 CB 1.513 77 residues pruned to eliminate duplicates Z: 47 42.072 2.169 0.645 0.666 0.978 0.696 CA 1.525 47 residues pruned to eliminate duplicates Z: 79 46.228 2.159 0.678 0.544 0.923 0.487 CB 1.499 79 residues pruned to eliminate duplicates Z: 42 34.623 2.189 0.738 0.618 0.878 0.659 CA 1.447 42 residues pruned to eliminate duplicates Z: 42 39.461 2.167 0.798 0.648 0.927 0.561 CA 1.487 42 residues pruned to eliminate duplicates Z: 68 47.605 2.215 0.706 0.586 0.925 0.522 CB 1.532 68 residues pruned to eliminate duplicates Z: 81 45.124 2.172 0.634 0.508 0.900 0.525 CB 1.568 81 residues pruned to eliminate duplicates Z: 77 48.891 2.192 0.715 0.555 0.921 0.539 CB 1.535 77 residues pruned to eliminate duplicates Z: 76 52.864 2.224 0.656 0.585 0.960 0.573 CB 1.592 76 residues pruned to eliminate duplicates Z: 35 34.076 2.211 0.785 0.651 0.882 0.529 CA 1.458 35 residues pruned to eliminate duplicates Z: 58 44.527 2.167 0.773 0.592 0.930 0.544 CA 1.511 58 residues pruned to eliminate duplicates Z: 66 47.332 2.221 0.705 0.569 0.908 0.492 CB 1.598 66 residues pruned to eliminate duplicates Z: 64 43.460 2.172 0.593 0.582 0.952 0.476 CA 1.535 64 residues pruned to eliminate duplicates Z: 66 45.774 2.235 0.641 0.564 0.908 0.508 CA 1.603 66 residues pruned to eliminate duplicates Z: 55 43.984 2.215 0.688 0.594 0.907 0.426 CA 1.613 55 residues pruned to eliminate duplicates Z: 74 52.155 2.208 0.665 0.568 0.973 0.534 CB 1.598 74 residues pruned to eliminate duplicates Z: 15 14.147 1.989 0.417 0.660 1.000 0.643 CA 1.157 15 residues pruned to eliminate duplicates Z: 44 25.287 2.133 0.495 0.390 1.000 0.349 CB 1.358 44 residues pruned to eliminate duplicates Z: 75 44.152 2.198 0.663 0.539 0.905 0.595 CB 1.493 75 residues pruned to eliminate duplicates Z: 13 13.854 2.066 0.319 0.719 0.833 0.500 CB 1.444 13 residues pruned to eliminate duplicates Z: 38 27.505 2.156 0.568 0.431 0.946 0.432 CB 1.519 38 residues pruned to eliminate duplicates Z: 35 24.422 2.197 0.496 0.465 0.912 0.412 CB 1.449 35 residues pruned to eliminate duplicates Z: 75 52.640 2.224 0.680 0.572 0.946 0.581 CB 1.616 75 residues pruned to eliminate duplicates Z: 39 27.669 2.174 0.596 0.430 0.947 0.447 CB 1.468 39 residues pruned to eliminate duplicates Z: 55 45.086 2.265 0.612 0.621 0.944 0.630 CA 1.587 55 residues pruned to eliminate duplicates Z: 43 29.229 2.196 0.597 0.463 0.857 0.452 CB 1.559 43 residues pruned to eliminate duplicates Z: 44 27.118 2.171 0.603 0.490 0.860 0.419 CB 1.395 44 residues pruned to eliminate duplicates Z: 14 10.515 2.053 0.540 0.278 0.846 0.385 CB 1.402 14 residues pruned to eliminate duplicates Z: 32 25.805 2.214 0.650 0.414 0.903 0.548 CB 1.538 32 residues pruned to eliminate duplicates Z: 84 49.153 2.216 0.650 0.564 0.928 0.518 CB 1.495 84 residues pruned to eliminate duplicates Z: 31 24.717 2.240 0.615 0.412 0.900 0.600 CB 1.519 31 residues pruned to eliminate duplicates Z: 45 33.661 2.156 0.710 0.490 0.932 0.455 CB 1.492 44 residues pruned to eliminate duplicates Z: 6 5.884 1.774 0.416 0.353 1.000 0.400 CA 1.228 6 residues pruned to eliminate duplicates Z: 32 28.404 2.218 0.704 0.386 0.935 0.484 CB 1.629 33 residues pruned to eliminate duplicates Z: 6 4.710 1.521 1.286 0.298 0.800 0.400 CA 0.949 6 residues pruned to eliminate duplicates Z: 24 22.700 2.159 0.777 0.447 0.870 0.696 CB 1.498 24 residues pruned to eliminate duplicates Z: 11 14.117 1.868 0.619 0.664 1.000 0.600 CA 1.269 11 residues pruned to eliminate duplicates Z: 23 21.848 2.174 0.764 0.403 0.864 0.409 CB 1.558 23 residues pruned to eliminate duplicates Z: 32 26.125 2.155 0.672 0.383 0.935 0.419 CB 1.577 32 residues pruned to eliminate duplicates Z: 46 33.773 2.115 0.625 0.490 0.933 0.444 CA 1.586 46 residues pruned to eliminate duplicates Z: 9 7.340 1.917 0.360 0.260 1.000 0.375 CB 1.309 9 residues pruned to eliminate duplicates Z: 43 32.452 2.177 0.754 0.490 0.905 0.429 CB 1.463 43 residues pruned to eliminate duplicates Z: 9 5.335 1.473 0.681 0.167 1.000 0.125 C 1.143 7 residues pruned to eliminate duplicates Z: 11 14.161 1.870 0.740 0.716 0.800 0.300 CB 1.415 11 residues pruned to eliminate duplicates Z: 8 4.438 1.829 0.122 0.154 0.857 0.143 O 1.460 8 residues pruned to eliminate duplicates Z: 8 3.965 1.783 0.423 0.398 0.429 0.143 CB 1.534 8 residues pruned to eliminate duplicates Z: 7 3.178 1.464 0.539 0.515 1.000 0.500 N 0.567 7 residues pruned to eliminate duplicates Z: 15 16.123 1.957 0.392 0.511 1.000 0.571 N 1.566 16 residues pruned to eliminate duplicates Z: 7 9.344 1.884 0.536 0.505 1.000 0.500 CA 1.312 7 residues pruned to eliminate duplicates Z: 35 16.476 1.881 0.316 0.435 0.853 0.529 CA 1.431 35 residues pruned to eliminate duplicates Z: 32 18.188 1.963 0.380 0.404 0.903 0.516 CA 1.476 32 residues pruned to eliminate duplicates Z: 31 16.659 1.977 0.387 0.394 0.833 0.533 CA 1.488 31 residues pruned to eliminate duplicates Z: 24 14.160 1.853 0.429 0.462 0.870 0.435 CB 1.333 24 residues pruned to eliminate duplicates Z: 15 12.561 1.968 0.450 0.407 0.857 0.429 CA 1.513 15 residues pruned to eliminate duplicates Z: 20 12.532 1.875 0.531 0.386 0.842 0.368 CB 1.341 20 residues pruned to eliminate duplicates Z: 19 13.470 1.918 0.629 0.420 0.833 0.556 CA 1.325 19 residues pruned to eliminate duplicates Z: 19 16.018 1.974 0.705 0.404 0.833 0.500 CB 1.488 19 residues pruned to eliminate duplicates Z: 19 14.486 1.924 0.553 0.381 0.889 0.389 CA 1.460 19 residues pruned to eliminate duplicates Z: 31 18.010 1.949 0.350 0.408 0.900 0.567 CA 1.529 31 residues pruned to eliminate duplicates Z: 32 19.077 1.943 0.390 0.449 0.935 0.581 CA 1.429 32 residues pruned to eliminate duplicates Z: 18 12.208 1.930 0.373 0.425 0.882 0.588 CA 1.368 18 residues pruned to eliminate duplicates Z: 17 11.851 1.931 0.234 0.459 0.938 0.750 CA 1.383 17 residues pruned to eliminate duplicates Z: 33 18.211 1.912 0.466 0.407 0.875 0.531 CA 1.447 33 residues pruned to eliminate duplicates Z: 35 19.697 1.912 0.388 0.477 0.912 0.559 CA 1.429 35 residues pruned to eliminate duplicates Z: 18 12.940 1.866 0.317 0.485 0.941 0.706 CA 1.379 19 residues pruned to eliminate duplicates Z: 6 3.818 1.476 0.729 0.389 0.800 0.400 CA 0.940 6 residues pruned to eliminate duplicates Z: 13 11.770 2.019 0.441 0.478 0.917 0.667 CA 1.303 13 residues pruned to eliminate duplicates Z: 66 33.892 2.110 0.438 0.486 0.923 0.538 CB 1.522 66 residues pruned to eliminate duplicates Z: 25 25.412 2.109 0.518 0.729 0.958 0.667 CA 1.375 25 residues pruned to eliminate duplicates Z: 15 15.168 2.057 0.585 0.456 0.929 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 66 38.768 2.116 0.542 0.572 0.908 0.585 CA 1.514 66 residues pruned to eliminate duplicates Z: 34 26.499 2.044 0.597 0.577 0.909 0.636 CA 1.443 34 residues pruned to eliminate duplicates Z: 43 36.735 2.054 0.653 0.675 0.952 0.667 CA 1.492 43 residues pruned to eliminate duplicates Z: 72 36.808 2.104 0.431 0.563 0.930 0.479 CA 1.469 72 residues pruned to eliminate duplicates Z: 33 29.084 2.082 0.570 0.641 0.938 0.625 CA 1.471 33 residues pruned to eliminate duplicates Z: 46 37.834 2.096 0.640 0.643 0.956 0.600 CA 1.501 46 residues pruned to eliminate duplicates Z: 67 40.333 2.117 0.578 0.570 0.939 0.621 CA 1.479 67 residues pruned to eliminate duplicates Z: 52 37.161 2.117 0.587 0.617 0.922 0.608 CA 1.505 52 residues pruned to eliminate duplicates Z: 33 30.979 2.126 0.520 0.654 0.969 0.719 CA 1.515 33 residues pruned to eliminate duplicates Z: 73 42.266 2.122 0.602 0.576 0.903 0.611 CA 1.508 73 residues pruned to eliminate duplicates Z: 72 41.383 2.120 0.593 0.582 0.887 0.606 CA 1.514 72 residues pruned to eliminate duplicates Z: 42 35.121 2.123 0.627 0.663 0.927 0.634 CA 1.473 42 residues pruned to eliminate duplicates Z: 50 31.759 2.016 0.648 0.627 0.857 0.551 CA 1.414 50 residues pruned to eliminate duplicates Z: 74 37.235 2.059 0.573 0.552 0.890 0.521 CA 1.436 74 residues pruned to eliminate duplicates Z: 56 37.411 2.129 0.568 0.592 0.873 0.491 CA 1.586 56 residues pruned to eliminate duplicates Z: 43 36.378 2.090 0.692 0.628 0.929 0.500 CB 1.515 43 residues pruned to eliminate duplicates Z: 66 43.798 2.136 0.589 0.587 0.938 0.585 CA 1.569 66 residues pruned to eliminate duplicates Z: 49 35.899 2.077 0.684 0.624 0.896 0.583 CB 1.471 49 residues pruned to eliminate duplicates Z: 43 35.354 2.108 0.646 0.654 0.905 0.476 CA 1.506 43 residues pruned to eliminate duplicates Z: 43 37.970 2.116 0.717 0.663 0.905 0.643 CA 1.533 43 residues pruned to eliminate duplicates Z: 34 29.541 2.074 0.613 0.587 0.939 0.394 CA 1.505 34 residues pruned to eliminate duplicates Z: 65 38.648 2.080 0.587 0.530 0.953 0.609 CA 1.491 65 residues pruned to eliminate duplicates Z: 15 21.016 2.143 0.610 0.674 1.000 0.643 CB 1.386 15 residues pruned to eliminate duplicates Z: 66 43.921 2.139 0.656 0.574 0.923 0.554 CA 1.551 66 residues pruned to eliminate duplicates Z: 46 27.962 2.111 0.567 0.483 0.867 0.511 CB 1.480 46 residues pruned to eliminate duplicates Z: 50 37.912 2.094 0.595 0.650 0.959 0.612 CA 1.470 50 residues pruned to eliminate duplicates Z: 45 29.988 2.110 0.606 0.505 0.886 0.545 CB 1.498 45 residues pruned to eliminate duplicates Z: 55 37.639 2.081 0.622 0.625 0.907 0.556 CA 1.487 55 residues pruned to eliminate duplicates Z: 63 40.402 2.113 0.614 0.580 0.903 0.597 CA 1.543 63 residues pruned to eliminate duplicates Z: 46 27.876 2.062 0.569 0.485 0.911 0.533 CA 1.432 46 residues pruned to eliminate duplicates Z: 43 30.921 2.082 0.546 0.618 0.905 0.452 CB 1.466 43 residues pruned to eliminate duplicates Z: 16 17.441 2.023 0.571 0.648 0.933 0.600 CB 1.322 16 residues pruned to eliminate duplicates Z: 44 27.821 2.123 0.429 0.502 0.907 0.512 CB 1.539 44 residues pruned to eliminate duplicates Z: 39 26.803 2.117 0.507 0.489 0.921 0.553 CB 1.496 39 residues pruned to eliminate duplicates Z: 72 43.114 2.120 0.560 0.593 0.944 0.648 CA 1.500 72 residues pruned to eliminate duplicates Z: 66 41.707 2.143 0.571 0.597 0.923 0.615 CA 1.517 66 residues pruned to eliminate duplicates Z: 28 22.363 2.063 0.758 0.367 0.852 0.519 CA 1.608 28 residues pruned to eliminate duplicates Z: 24 20.164 2.167 0.471 0.401 0.957 0.522 CA 1.531 24 residues pruned to eliminate duplicates Z: 25 22.947 2.089 0.556 0.521 0.958 0.500 CB 1.474 25 residues pruned to eliminate duplicates Z: 39 30.014 2.157 0.574 0.468 0.921 0.553 CA 1.609 39 residues pruned to eliminate duplicates Z: 39 29.855 2.122 0.548 0.489 0.974 0.579 CA 1.531 39 residues pruned to eliminate duplicates Z: 28 21.473 2.077 0.528 0.480 0.926 0.407 CB 1.435 28 residues pruned to eliminate duplicates Z: 28 21.980 2.060 0.723 0.384 0.889 0.444 CA 1.517 28 residues pruned to eliminate duplicates Z: 26 20.910 2.151 0.528 0.410 0.920 0.560 CA 1.520 26 residues pruned to eliminate duplicates Z: 45 29.574 2.102 0.523 0.492 0.932 0.591 CA 1.506 45 residues pruned to eliminate duplicates Z: 24 16.999 2.150 0.449 0.340 0.870 0.435 CA 1.557 24 residues pruned to eliminate duplicates Z: 66 45.059 2.131 0.688 0.552 0.938 0.600 CA 1.575 66 residues pruned to eliminate duplicates Z: 24 19.795 2.105 0.584 0.422 0.870 0.522 CA 1.543 24 residues pruned to eliminate duplicates Z: 40 18.070 1.954 0.634 0.349 0.795 0.410 CA 1.343 40 residues pruned to eliminate duplicates Z: 25 16.555 2.117 0.508 0.408 0.792 0.500 CA 1.471 25 residues pruned to eliminate duplicates Z: 45 31.185 2.119 0.670 0.486 0.886 0.545 CB 1.521 45 residues pruned to eliminate duplicates Z: 69 40.361 2.098 0.646 0.554 0.912 0.544 CA 1.475 69 residues pruned to eliminate duplicates Z: 67 41.039 2.118 0.645 0.576 0.864 0.561 CB 1.561 67 residues pruned to eliminate duplicates Z: 43 27.590 2.053 0.586 0.440 0.905 0.452 CA 1.537 43 residues pruned to eliminate duplicates Z: 29 19.618 2.075 0.515 0.389 0.929 0.464 CA 1.429 29 residues pruned to eliminate duplicates Z: 25 15.314 2.054 0.521 0.406 0.833 0.500 CA 1.325 25 residues pruned to eliminate duplicates Z: 70 38.770 2.073 0.595 0.539 0.928 0.594 CA 1.464 70 residues pruned to eliminate duplicates Z: 31 19.719 2.103 0.511 0.387 0.900 0.533 CA 1.420 31 residues pruned to eliminate duplicates Z: 34 19.242 2.014 0.455 0.381 0.939 0.515 CA 1.381 34 residues pruned to eliminate duplicates Z: 35 15.467 2.047 0.356 0.380 0.794 0.500 CA 1.367 35 residues pruned to eliminate duplicates Z: 25 15.102 2.083 0.374 0.440 0.833 0.625 CA 1.375 25 residues pruned to eliminate duplicates Z: 22 15.947 2.079 0.428 0.508 0.857 0.619 CA 1.357 22 residues pruned to eliminate duplicates Z: 23 15.522 2.079 0.418 0.462 0.864 0.636 CA 1.352 23 residues pruned to eliminate duplicates Z: 33 20.335 2.057 0.591 0.389 0.844 0.500 CA 1.463 33 residues pruned to eliminate duplicates Z: 24 15.115 2.040 0.353 0.430 0.870 0.565 CA 1.413 24 residues pruned to eliminate duplicates Z: 36 21.080 2.042 0.604 0.391 0.857 0.543 CA 1.424 30 residues pruned to eliminate duplicates Z: 6 5.502 1.511 0.603 0.303 1.000 1.000 CA 1.265 6 residues pruned to eliminate duplicates Z: 14 13.394 2.028 0.696 0.432 0.846 0.538 CA 1.371 14 residues pruned to eliminate duplicates Z: 12 7.125 1.947 0.367 0.352 0.727 0.545 CA 1.303 12 residues pruned to eliminate duplicates Z: 9 8.963 2.059 0.462 0.266 0.875 0.500 N 1.571 9 residues pruned to eliminate duplicates Z: 10 10.038 1.976 0.376 0.461 0.889 0.556 CA 1.442 10 residues pruned to eliminate duplicates Z: 31 18.685 2.054 0.488 0.409 0.867 0.533 CB 1.416 31 residues pruned to eliminate duplicates Z: 16 7.662 1.743 0.405 0.211 0.867 0.333 CB 1.310 16 residues pruned to eliminate duplicates Z: 57 37.676 2.028 0.647 0.618 0.929 0.643 CB 1.452 57 residues pruned to eliminate duplicates Z: 21 33.729 2.089 0.896 0.847 1.000 0.700 CB 1.413 21 residues pruned to eliminate duplicates Z: 44 38.237 2.086 0.762 0.629 0.953 0.651 CB 1.474 44 residues pruned to eliminate duplicates Z: 29 33.379 2.125 0.780 0.673 0.964 0.750 CB 1.474 29 residues pruned to eliminate duplicates Z: 49 28.842 1.973 0.738 0.557 0.896 0.583 CB 1.282 49 residues pruned to eliminate duplicates Z: 32 33.959 2.046 0.835 0.735 0.968 0.645 CB 1.359 32 residues pruned to eliminate duplicates Z: 23 27.065 2.002 0.836 0.783 1.000 0.591 CB 1.223 23 residues pruned to eliminate duplicates Z: 63 41.538 2.058 0.749 0.583 0.903 0.613 CA 1.498 32 residues pruned to eliminate duplicates Z: 23 34.838 1.931 0.898 0.915 1.000 0.727 CB 1.432 Z: 20 39.967 2.150 1.013 0.925 1.000 0.737 CB 1.487 43 residues pruned to eliminate duplicates Z: 63 42.661 2.030 0.762 0.604 0.935 0.677 CA 1.466 46 residues pruned to eliminate duplicates Z: 21 36.882 2.063 1.025 0.882 1.000 0.700 CB 1.428 21 residues pruned to eliminate duplicates Z: 39 30.076 1.980 0.748 0.630 0.921 0.658 CB 1.355 39 residues pruned to eliminate duplicates Z: 64 40.108 2.017 0.629 0.627 0.952 0.667 CA 1.433 64 residues pruned to eliminate duplicates Z: 58 36.339 2.009 0.688 0.623 0.930 0.684 CB 1.359 58 residues pruned to eliminate duplicates Z: 56 38.682 2.014 0.721 0.644 0.927 0.745 CB 1.419 22 residues pruned to eliminate duplicates Z: 15 15.215 1.660 0.694 0.750 1.000 0.643 CA 1.156 15 residues pruned to eliminate duplicates Z: 62 38.422 2.034 0.705 0.599 0.918 0.639 CB 1.406 50 residues pruned to eliminate duplicates Z: 11 14.016 1.820 0.467 0.903 1.000 0.800 CA 1.184 11 residues pruned to eliminate duplicates Z: 21 18.637 1.875 0.562 0.636 0.950 0.700 CB 1.319 21 residues pruned to eliminate duplicates Z: 63 37.177 2.051 0.543 0.572 0.952 0.694 CA 1.462 63 residues pruned to eliminate duplicates Z: 44 34.453 1.959 0.788 0.672 0.977 0.767 CB 1.310 44 residues pruned to eliminate duplicates Z: 62 41.315 1.988 0.755 0.583 0.951 0.623 CB 1.472 62 residues pruned to eliminate duplicates Z: 63 37.936 1.998 0.769 0.598 0.919 0.629 CB 1.350 62 residues pruned to eliminate duplicates Z: 10 15.739 1.921 0.515 0.884 1.000 0.333 CA 1.302 Z: 43 24.499 2.027 0.495 0.482 0.929 0.524 CA 1.367 43 residues pruned to eliminate duplicates Z: 65 38.468 1.998 0.800 0.565 0.859 0.531 CA 1.461 49 residues pruned to eliminate duplicates Z: 12 16.430 1.935 0.709 0.734 1.000 0.455 CA 1.214 12 residues pruned to eliminate duplicates Z: 63 35.822 2.055 0.639 0.582 0.887 0.645 CA 1.407 63 residues pruned to eliminate duplicates Z: 66 42.736 2.014 0.750 0.560 0.954 0.646 CB 1.488 66 residues pruned to eliminate duplicates Z: 61 37.371 2.038 0.745 0.560 0.867 0.550 CB 1.477 61 residues pruned to eliminate duplicates Z: 24 16.482 1.920 0.734 0.518 0.870 0.522 CA 1.167 24 residues pruned to eliminate duplicates Z: 59 30.066 1.985 0.583 0.491 0.879 0.569 CA 1.442 47 residues pruned to eliminate duplicates 6 1.645 1.340 0.453 0.311 0.600 0.400 CA 0.776 ? Z: 6 3.206 1.600 0.666 0.414 0.800 0.600 CB 0.735 Z: 6 5.104 1.556 0.915 0.378 0.800 0.800 CA 1.091 Z: 63 39.231 2.038 0.602 0.615 0.919 0.677 CA 1.489 63 residues pruned to eliminate duplicates Z: 19 9.811 1.920 0.453 0.376 0.778 0.611 CA 1.216 Z: 22 22.887 2.019 0.186 0.875 1.000 0.952 CB 1.518 22 residues pruned to eliminate duplicates Z: 50 35.394 2.011 0.598 0.698 0.939 0.735 CA 1.399 50 residues pruned to eliminate duplicates Z: 29 25.906 2.111 0.495 0.657 0.893 0.786 CB 1.501 Z: 52 35.591 2.013 0.604 0.656 0.941 0.745 CB 1.419 52 residues pruned to eliminate duplicates Z: 54 34.453 2.003 0.597 0.653 0.962 0.792 CB 1.334 83 residues pruned to eliminate duplicates Z: 29 15.395 1.966 0.338 0.430 0.929 0.571 CA 1.281 29 residues pruned to eliminate duplicates Z: 8 4.799 1.758 0.217 0.379 1.000 0.571 CA 0.965 8 residues pruned to eliminate duplicates Z: 7 5.676 1.800 0.495 0.485 0.833 0.667 CB 1.048 8 residues pruned to eliminate duplicates Z: 6 6.266 1.891 0.203 0.556 1.000 0.400 CB 1.167 6 residues pruned to eliminate duplicates Z: 37 15.787 1.912 0.324 0.405 0.917 0.583 CB 1.253 37 residues pruned to eliminate duplicates Z: 30 14.128 1.952 0.282 0.392 0.966 0.621 CB 1.217 30 residues pruned to eliminate duplicates Z: 33 14.193 1.936 0.207 0.443 0.938 0.562 CB 1.215 33 residues pruned to eliminate duplicates Z: 33 16.675 1.973 0.329 0.437 0.906 0.625 CB 1.324 33 residues pruned to eliminate duplicates Z: 37 16.277 1.945 0.291 0.394 0.944 0.556 CB 1.280 38 residues pruned to eliminate duplicates Z: 6 7.702 1.671 0.562 0.547 1.000 0.600 CB 1.261 6 residues pruned to eliminate duplicates Z: 38 17.088 1.891 0.380 0.415 0.919 0.568 CB 1.280 38 residues pruned to eliminate duplicates Z: 36 18.345 1.946 0.410 0.414 0.943 0.629 CA 1.311 36 residues pruned to eliminate duplicates Z: 33 16.106 1.951 0.301 0.428 0.938 0.531 CB 1.289 34 residues pruned to eliminate duplicates Z: 6 3.791 1.740 -0.154 0.444 1.000 0.400 CA 1.220 6 residues pruned to eliminate duplicates Z: 37 15.805 1.892 0.278 0.404 0.944 0.583 CA 1.277 37 residues pruned to eliminate duplicates Z: 30 16.071 1.935 0.408 0.420 0.966 0.586 CB 1.233 30 residues pruned to eliminate duplicates Z: 6 2.825 1.541 0.154 0.317 1.000 0.200 CA 0.870 6 residues pruned to eliminate duplicates Z: 38 17.022 1.920 0.337 0.406 0.919 0.568 CB 1.309 38 residues pruned to eliminate duplicates Z: 37 17.694 1.939 0.372 0.434 0.944 0.556 CB 1.257 37 residues pruned to eliminate duplicates Z: 31 14.825 1.954 0.297 0.416 0.933 0.633 CA 1.249 31 residues pruned to eliminate duplicates Z: 10 6.927 1.751 0.318 0.536 1.000 0.556 CA 0.965 10 residues pruned to eliminate duplicates Z: 22 7.972 1.657 0.282 0.275 0.762 0.333 CA 1.388 22 residues pruned to eliminate duplicates Z: 35 16.782 1.937 0.358 0.462 0.971 0.676 CB 1.172 35 residues pruned to eliminate duplicates Z: 36 20.269 1.950 0.498 0.449 0.914 0.629 CA 1.351 36 residues pruned to eliminate duplicates Z: 24 13.379 1.792 0.460 0.415 0.957 0.609 CA 1.218 24 residues pruned to eliminate duplicates Z: 31 16.556 1.943 0.376 0.420 0.900 0.533 CB 1.365 31 residues pruned to eliminate duplicates Z: 39 15.274 1.829 0.336 0.427 0.921 0.658 CB 1.187 39 residues pruned to eliminate duplicates Z: 6 4.813 1.664 0.254 0.395 1.000 0.600 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 5.071 1.825 0.500 0.202 0.714 0.429 CA 1.397 7 residues pruned to eliminate duplicates Z: 8 3.632 1.848 0.571 0.071 0.571 0.571 N 1.448 8 residues pruned to eliminate duplicates Z: 35 17.648 2.004 0.393 0.403 0.794 0.588 CA 1.511 35 residues pruned to eliminate duplicates Z: 11 10.665 1.984 0.241 0.534 0.900 0.700 CB 1.471 11 residues pruned to eliminate duplicates Z: 15 7.131 1.820 0.397 0.358 0.714 0.500 CB 1.223 15 residues pruned to eliminate duplicates Z: 9 11.038 2.028 0.350 0.569 0.875 0.500 CB 1.523 9 residues pruned to eliminate duplicates Z: 10 10.944 2.078 0.347 0.475 0.889 0.556 CB 1.504 10 residues pruned to eliminate duplicates Z: 14 6.076 1.844 0.336 0.298 0.615 0.462 CA 1.392 14 residues pruned to eliminate duplicates Z: 14 8.185 1.789 0.249 0.565 0.846 0.615 CB 1.127 14 residues pruned to eliminate duplicates Z: 10 11.072 2.034 0.469 0.519 0.778 0.556 CB 1.558 10 residues pruned to eliminate duplicates Z: 24 17.074 2.010 0.463 0.402 0.870 0.565 CB 1.544 24 residues pruned to eliminate duplicates Z: 25 15.480 2.025 0.401 0.364 0.792 0.500 CB 1.628 25 residues pruned to eliminate duplicates Z: 29 14.294 1.966 0.391 0.360 0.821 0.536 CB 1.397 29 residues pruned to eliminate duplicates Z: 25 15.717 1.950 0.293 0.469 0.917 0.583 CA 1.433 25 residues pruned to eliminate duplicates Z: 21 15.868 1.959 0.422 0.473 0.900 0.750 CB 1.454 21 residues pruned to eliminate duplicates Z: 67 22.111 1.966 0.392 0.400 0.833 0.530 CB 1.326 67 residues pruned to eliminate duplicates Z: 6 8.234 1.783 0.542 0.451 1.000 0.400 CA 1.408 6 residues pruned to eliminate duplicates Z: 59 24.406 2.026 0.378 0.407 0.879 0.552 CB 1.440 61 residues pruned to eliminate duplicates Z: 6 3.383 1.517 0.396 0.363 0.800 0.400 CA 1.035 6 residues pruned to eliminate duplicates Z: 28 13.722 1.932 0.334 0.389 0.852 0.556 CB 1.354 28 residues pruned to eliminate duplicates Z: 48 25.263 1.937 0.475 0.446 0.936 0.596 CB 1.457 48 residues pruned to eliminate duplicates Z: 14 13.606 2.041 0.315 0.337 1.000 0.538 CB 1.679 14 residues pruned to eliminate duplicates Z: 28 14.616 1.999 0.276 0.377 0.852 0.593 CB 1.475 28 residues pruned to eliminate duplicates Z: 33 13.917 1.919 0.368 0.396 0.781 0.500 CB 1.339 33 residues pruned to eliminate duplicates Z: 15 12.583 1.991 0.318 0.541 0.929 0.571 CB 1.326 15 residues pruned to eliminate duplicates Z: 28 15.894 1.918 0.489 0.495 0.889 0.630 CB 1.210 28 residues pruned to eliminate duplicates Z: 27 19.829 2.035 0.478 0.464 0.923 0.615 CB 1.452 27 residues pruned to eliminate duplicates Z: 12 11.557 2.010 0.670 0.470 0.909 0.818 CA 1.177 12 residues pruned to eliminate duplicates Z: 9 10.285 2.020 0.529 0.605 1.000 0.875 CA 1.066 9 residues pruned to eliminate duplicates Z: 39 16.747 1.973 0.436 0.340 0.842 0.658 CB 1.356 39 residues pruned to eliminate duplicates Z: 36 19.126 1.949 0.560 0.421 0.829 0.571 CB 1.393 36 residues pruned to eliminate duplicates Z: 28 21.324 2.006 0.606 0.431 0.926 0.593 CB 1.479 28 residues pruned to eliminate duplicates Z: 20 9.329 1.763 0.594 0.374 0.789 0.421 CB 1.104 20 residues pruned to eliminate duplicates Z: 11 9.390 1.968 0.782 0.460 0.700 0.600 CB 1.259 11 residues pruned to eliminate duplicates Z: 46 23.172 2.002 0.425 0.405 0.911 0.578 CB 1.469 46 residues pruned to eliminate duplicates Z: 18 8.395 1.871 0.603 0.224 0.765 0.353 CB 1.227 18 residues pruned to eliminate duplicates Z: 16 9.749 1.992 0.505 0.267 0.800 0.333 CB 1.369 16 residues pruned to eliminate duplicates Z: 27 17.672 1.996 0.512 0.345 0.923 0.500 CB 1.472 27 residues pruned to eliminate duplicates Z: 17 9.144 1.832 0.428 0.285 0.875 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 20 10.911 1.902 0.525 0.331 0.842 0.316 CB 1.233 20 residues pruned to eliminate duplicates Z: 41 19.718 1.998 0.381 0.392 0.900 0.550 CB 1.407 41 residues pruned to eliminate duplicates Z: 19 13.969 2.009 0.418 0.426 0.889 0.556 CB 1.404 19 residues pruned to eliminate duplicates Z: 17 11.664 1.932 0.527 0.258 0.938 0.312 CB 1.391 17 residues pruned to eliminate duplicates Z: 8 8.205 2.014 0.098 0.437 1.000 0.429 CB 1.496 8 residues pruned to eliminate duplicates Z: 22 8.391 1.921 0.357 0.243 0.857 0.286 CB 1.103 22 residues pruned to eliminate duplicates Z: 17 14.486 2.030 0.253 0.418 0.938 0.562 CA 1.653 17 residues pruned to eliminate duplicates Z: 19 16.472 1.997 0.488 0.416 0.944 0.389 CB 1.510 19 residues pruned to eliminate duplicates Z: 34 14.228 1.874 0.535 0.312 0.848 0.394 CA 1.249 34 residues pruned to eliminate duplicates Z: 19 7.522 1.908 0.300 0.192 0.833 0.333 CB 1.241 19 residues pruned to eliminate duplicates Z: 28 13.032 1.972 0.282 0.316 0.852 0.407 CB 1.428 28 residues pruned to eliminate duplicates Z: 22 9.562 1.877 0.305 0.290 0.810 0.571 CB 1.332 22 residues pruned to eliminate duplicates Z: 19 13.727 2.001 0.485 0.345 0.944 0.556 CA 1.365 19 residues pruned to eliminate duplicates Z: 25 11.191 1.965 0.443 0.288 0.792 0.417 CB 1.290 25 residues pruned to eliminate duplicates Z: 46 15.962 1.891 0.450 0.344 0.867 0.467 CB 1.187 46 residues pruned to eliminate duplicates Z: 15 8.888 1.931 0.407 0.333 0.857 0.429 CA 1.224 15 residues pruned to eliminate duplicates Z: 44 15.908 1.937 0.476 0.339 0.814 0.465 CB 1.242 44 residues pruned to eliminate duplicates Z: 14 7.947 1.994 0.315 0.362 0.769 0.385 CA 1.267 14 residues pruned to eliminate duplicates Z: 24 11.014 1.911 0.487 0.347 0.826 0.522 CB 1.154 24 residues pruned to eliminate duplicates Z: 8 5.412 1.983 0.339 0.277 0.714 0.429 CA 1.388 8 residues pruned to eliminate duplicates Z: 7 5.167 2.009 0.169 0.336 0.833 0.667 CA 1.290 7 residues pruned to eliminate duplicates Z: 8 6.954 1.918 0.624 0.273 0.857 0.429 CB 1.273 8 residues pruned to eliminate duplicates Z: 12 3.131 1.555 0.016 0.120 0.727 0.182 CB 1.326 12 residues pruned to eliminate duplicates Z: 23 9.511 1.967 0.407 0.347 0.727 0.455 CB 1.189 23 residues pruned to eliminate duplicates Z: 22 12.082 1.976 0.457 0.338 0.857 0.476 CB 1.274 22 residues pruned to eliminate duplicates Z: 34 13.233 1.874 0.487 0.303 0.788 0.424 CA 1.305 34 residues pruned to eliminate duplicates Z: 48 18.314 1.960 0.421 0.355 0.851 0.426 CB 1.319 48 residues pruned to eliminate duplicates Z: 15 12.906 1.903 0.331 0.470 1.000 0.643 CA 1.403 15 residues pruned to eliminate duplicates Z: 14 7.425 1.971 0.216 0.361 0.846 0.538 CA 1.180 14 residues pruned to eliminate duplicates Z: 13 7.717 2.026 0.259 0.405 0.750 0.500 CB 1.288 13 residues pruned to eliminate duplicates Z: 12 9.111 2.074 0.339 0.371 0.909 0.364 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 10.349 2.053 0.060 0.458 1.000 0.750 CA 1.434 13 residues pruned to eliminate duplicates Z: 20 11.328 1.823 0.422 0.308 0.895 0.474 CB 1.386 20 residues pruned to eliminate duplicates Z: 32 18.745 1.974 0.489 0.440 0.871 0.484 CB 1.399 32 residues pruned to eliminate duplicates Z: 14 9.384 1.950 0.446 0.395 0.846 0.385 CB 1.219 14 residues pruned to eliminate duplicates Z: 16 12.282 1.927 0.517 0.403 0.933 0.533 CA 1.288 16 residues pruned to eliminate duplicates Z: 28 15.339 2.031 0.573 0.364 0.741 0.370 CB 1.444 28 residues pruned to eliminate duplicates Z: 35 15.961 1.997 0.508 0.363 0.794 0.382 CB 1.327 35 residues pruned to eliminate duplicates Z: 27 14.217 2.069 0.452 0.349 0.769 0.423 CA 1.421 27 residues pruned to eliminate duplicates Z: 28 16.133 2.071 0.425 0.362 0.852 0.370 CB 1.433 28 residues pruned to eliminate duplicates Z: 17 10.450 2.035 0.365 0.438 0.750 0.375 CB 1.337 17 residues pruned to eliminate duplicates Z: 16 10.173 2.035 0.524 0.395 0.733 0.600 CA 1.290 16 residues pruned to eliminate duplicates Z: 27 14.692 2.063 0.609 0.367 0.731 0.500 CB 1.369 27 residues pruned to eliminate duplicates Z: 16 8.514 1.937 0.494 0.290 0.733 0.533 CB 1.312 16 residues pruned to eliminate duplicates Z: 14 9.966 2.085 0.530 0.342 0.769 0.231 CB 1.338 14 residues pruned to eliminate duplicates Z: 13 11.818 2.107 0.653 0.401 0.750 0.500 CA 1.449 13 residues pruned to eliminate duplicates Z: 28 17.315 2.028 0.307 0.466 0.926 0.481 CA 1.406 28 residues pruned to eliminate duplicates Z: 15 11.651 2.065 0.516 0.410 0.786 0.357 CB 1.391 15 residues pruned to eliminate duplicates Z: 47 18.048 1.879 0.391 0.374 0.891 0.500 CB 1.307 47 residues pruned to eliminate duplicates Z: 22 13.329 1.933 0.538 0.344 0.857 0.429 CB 1.352 22 residues pruned to eliminate duplicates Z: 27 20.118 2.057 0.614 0.417 0.923 0.423 CA 1.404 27 residues pruned to eliminate duplicates Z: 26 16.503 2.079 0.578 0.372 0.800 0.480 CB 1.442 26 residues pruned to eliminate duplicates Z: 23 11.308 2.043 0.308 0.337 0.773 0.318 CB 1.395 23 residues pruned to eliminate duplicates Z: 24 12.492 2.003 0.398 0.300 0.783 0.391 CA 1.486 24 residues pruned to eliminate duplicates Z: 39 17.464 2.021 0.471 0.327 0.763 0.368 CA 1.510 39 residues pruned to eliminate duplicates Z: 7 4.044 1.858 0.186 0.270 0.667 0.333 CB 1.459 7 residues pruned to eliminate duplicates Z: 31 25.167 2.043 0.460 0.578 0.867 0.567 CB 1.649 31 residues pruned to eliminate duplicates Z: 22 11.925 2.023 0.439 0.312 0.762 0.333 CB 1.445 22 residues pruned to eliminate duplicates Z: 58 28.119 2.049 0.350 0.494 0.877 0.561 CB 1.545 58 residues pruned to eliminate duplicates Z: 9 8.229 2.051 0.386 0.383 0.750 0.500 N 1.545 9 residues pruned to eliminate duplicates Z: 12 6.953 1.887 0.408 0.270 0.727 0.455 N 1.410 12 residues pruned to eliminate duplicates Z: 53 26.583 2.085 0.412 0.453 0.846 0.500 CB 1.552 53 residues pruned to eliminate duplicates Z: 77 29.685 1.973 0.417 0.444 0.882 0.513 CB 1.464 77 residues pruned to eliminate duplicates Z: 33 21.804 1.996 0.381 0.535 0.844 0.562 CB 1.601 33 residues pruned to eliminate duplicates Z: 29 25.382 2.105 0.378 0.598 0.893 0.750 CB 1.688 29 residues pruned to eliminate duplicates Z: 47 25.995 2.022 0.449 0.488 0.870 0.565 CB 1.523 47 residues pruned to eliminate duplicates Z: 23 19.197 2.012 0.362 0.574 0.818 0.727 CB 1.699 23 residues pruned to eliminate duplicates Z: 23 17.936 2.008 0.316 0.610 1.000 0.591 CB 1.303 23 residues pruned to eliminate duplicates Z: 18 21.820 2.168 0.447 0.617 0.941 0.765 CB 1.605 18 residues pruned to eliminate duplicates Z: 17 22.682 2.213 0.469 0.620 1.000 0.750 CB 1.557 17 residues pruned to eliminate duplicates Z: 23 17.853 2.036 0.453 0.548 0.909 0.545 CB 1.351 23 residues pruned to eliminate duplicates Z: 20 17.871 2.110 0.392 0.612 0.842 0.474 CB 1.490 20 residues pruned to eliminate duplicates Z: 31 23.378 2.041 0.509 0.547 0.867 0.533 CB 1.528 31 residues pruned to eliminate duplicates Z: 30 27.215 2.055 0.573 0.563 0.897 0.621 CB 1.640 30 residues pruned to eliminate duplicates Z: 33 19.185 1.982 0.387 0.522 0.812 0.500 CB 1.485 33 residues pruned to eliminate duplicates Z: 60 36.673 2.122 0.601 0.501 0.864 0.475 CB 1.624 60 residues pruned to eliminate duplicates Z: 20 20.734 2.108 0.560 0.648 0.895 0.579 CB 1.408 20 residues pruned to eliminate duplicates Z: 22 18.123 2.059 0.483 0.583 0.857 0.476 CB 1.395 22 residues pruned to eliminate duplicates Z: 31 22.117 2.018 0.456 0.590 0.867 0.467 CB 1.454 31 residues pruned to eliminate duplicates Z: 47 32.017 2.071 0.689 0.469 0.891 0.565 CA 1.563 47 residues pruned to eliminate duplicates Z: 21 14.651 2.043 0.306 0.600 0.800 0.400 CB 1.394 21 residues pruned to eliminate duplicates Z: 32 26.293 1.975 0.528 0.555 0.935 0.548 CB 1.585 32 residues pruned to eliminate duplicates Z: 19 25.821 2.181 0.585 0.685 1.000 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 48 35.661 2.105 0.592 0.530 0.894 0.383 CB 1.687 48 residues pruned to eliminate duplicates Z: 61 36.178 2.083 0.612 0.513 0.850 0.567 CB 1.616 61 residues pruned to eliminate duplicates Z: 40 20.501 1.902 0.448 0.482 0.846 0.641 CB 1.434 40 residues pruned to eliminate duplicates Z: 13 10.956 1.812 0.595 0.577 0.750 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 60 37.045 2.116 0.579 0.513 0.864 0.508 CB 1.648 60 residues pruned to eliminate duplicates Z: 38 21.772 1.955 0.397 0.567 0.811 0.405 CB 1.516 38 residues pruned to eliminate duplicates Z: 36 26.062 2.062 0.572 0.542 0.914 0.514 CB 1.427 36 residues pruned to eliminate duplicates Z: 13 12.374 1.679 0.613 0.605 0.833 0.667 CB 1.433 13 residues pruned to eliminate duplicates Z: 35 24.931 2.030 0.548 0.609 0.912 0.412 CB 1.346 35 residues pruned to eliminate duplicates Z: 37 18.369 1.949 0.642 0.394 0.806 0.417 CB 1.329 37 residues pruned to eliminate duplicates Z: 29 21.823 2.050 0.552 0.496 0.893 0.571 CB 1.458 29 residues pruned to eliminate duplicates Z: 28 24.787 2.122 0.692 0.447 0.926 0.556 CB 1.516 28 residues pruned to eliminate duplicates Z: 27 23.266 2.180 0.561 0.428 0.923 0.462 CA 1.565 27 residues pruned to eliminate duplicates Z: 26 19.547 2.129 0.655 0.339 0.840 0.440 CB 1.575 26 residues pruned to eliminate duplicates Z: 30 22.623 2.032 0.688 0.407 0.931 0.379 CB 1.450 30 residues pruned to eliminate duplicates Z: 26 15.330 2.027 0.604 0.285 0.840 0.440 CA 1.429 26 residues pruned to eliminate duplicates Z: 24 18.915 2.161 0.743 0.274 0.870 0.391 CB 1.556 24 residues pruned to eliminate duplicates Z: 28 21.536 2.108 0.601 0.425 0.889 0.630 CB 1.494 28 residues pruned to eliminate duplicates Z: 14 13.700 2.257 0.421 0.369 0.846 0.615 CA 1.611 14 residues pruned to eliminate duplicates Z: 29 17.518 1.991 0.739 0.342 0.821 0.536 CB 1.382 29 residues pruned to eliminate duplicates Z: 25 20.929 2.156 0.741 0.305 0.917 0.500 CB 1.542 25 residues pruned to eliminate duplicates Z: 23 22.298 2.218 0.840 0.326 0.864 0.545 CB 1.633 23 residues pruned to eliminate duplicates Z: 27 18.257 2.054 0.491 0.315 0.923 0.385 CA 1.553 27 residues pruned to eliminate duplicates Z: 25 18.438 2.150 0.503 0.334 0.875 0.500 CB 1.596 25 residues pruned to eliminate duplicates Z: 23 16.189 2.136 0.627 0.281 0.818 0.500 CB 1.554 23 residues pruned to eliminate duplicates Z: 25 19.384 2.159 0.685 0.296 0.875 0.375 CA 1.561 25 residues pruned to eliminate duplicates Z: 27 24.506 2.171 0.711 0.419 0.885 0.500 CB 1.592 27 residues pruned to eliminate duplicates Z: 11 14.227 1.828 0.740 0.594 0.900 0.700 N 1.437 11 residues pruned to eliminate duplicates Z: 29 24.793 2.116 0.820 0.373 0.929 0.536 CB 1.501 29 residues pruned to eliminate duplicates Z: 8 12.730 1.885 0.497 0.812 0.857 0.429 CA 1.516 8 residues pruned to eliminate duplicates Z: 30 23.004 2.074 0.650 0.406 0.897 0.517 CA 1.538 30 residues pruned to eliminate duplicates Z: 7 12.170 1.971 0.392 0.862 1.000 0.667 CA 1.330 7 residues pruned to eliminate duplicates Z: 26 24.705 2.172 0.730 0.448 0.880 0.520 CA 1.576 26 residues pruned to eliminate duplicates Z: 6 10.530 2.079 0.512 0.856 0.800 0.400 CA 1.381 6 residues pruned to eliminate duplicates Z: 8 8.849 1.806 0.629 0.510 0.857 0.714 CB 1.313 8 residues pruned to eliminate duplicates Z: 6 3.204 1.467 0.472 0.439 1.000 0.400 CA 0.707 6 residues pruned to eliminate duplicates Z: 12 6.296 1.698 0.274 0.435 0.727 0.455 CA 1.291 12 residues pruned to eliminate duplicates 677 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 15 D: 14 E: 62 F: 7 G: 15 H: 12 I: 10 J: 39 K: 106 L: 33 M: 79 N: 63 O: 38 P: 155 Q: 9 R: 6 CC for partial structure against native data = 24.75 % ------------------------------------------------------------------------------ Global autotracing cycle 27 = 0.300, Contrast = 0.393, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.452, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.536, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.544, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.557, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.559, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6665 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1244 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 12.947 2.094 0.391 0.364 0.929 0.786 CB 1.481 B: 21 33.649 2.238 0.723 0.915 0.950 0.750 CB 1.452 C: 21 41.136 2.336 0.770 0.887 1.000 0.650 CB 1.604 20 residues pruned to eliminate duplicates D: 20 9.287 1.966 0.493 0.298 0.737 0.579 CA 1.234 E: 21 38.200 2.268 0.712 0.863 1.000 0.600 CB 1.614 21 residues pruned to eliminate duplicates F: 30 17.969 2.024 0.403 0.501 0.862 0.517 CB 1.361 G: 16 32.037 2.171 0.753 0.876 0.933 0.667 CA 1.693 16 residues pruned to eliminate duplicates H: 15 39.569 2.298 0.821 0.886 1.000 0.786 CA 1.824 15 residues pruned to eliminate duplicates I: 20 43.871 2.316 0.890 0.921 1.000 0.789 CB 1.618 21 residues pruned to eliminate duplicates J: 20 26.677 2.287 0.432 0.856 0.895 0.684 CB 1.540 20 residues pruned to eliminate duplicates K: 17 20.331 1.958 0.519 0.894 0.938 0.750 CA 1.308 L: 12 17.797 2.016 0.595 0.812 0.909 0.455 CB 1.400 M: 10 16.227 2.215 0.180 0.845 1.000 0.778 CB 1.538 N: 14 20.127 2.133 0.667 0.863 0.923 0.615 CB 1.248 O: 21 39.948 2.225 1.053 0.909 0.950 0.600 CB 1.461 21 residues pruned to eliminate duplicates P: 25 24.149 2.098 0.406 0.568 1.000 0.583 CA 1.565 12 residues pruned to eliminate duplicates Q: 22 34.066 2.126 0.610 0.916 1.000 0.952 CB 1.533 22 residues pruned to eliminate duplicates R: 11 15.303 1.996 0.524 0.788 0.800 0.700 CB 1.544 11 residues pruned to eliminate duplicates S: 13 24.400 2.119 0.546 0.916 1.000 0.917 CB 1.518 T: 9 11.525 1.816 0.423 0.820 0.875 0.750 CA 1.364 U: 8 15.049 1.869 0.859 0.889 0.857 0.429 CA 1.375 V: 18 24.864 2.074 0.458 0.907 0.941 0.882 CB 1.506 13 residues pruned to eliminate duplicates W: 12 9.189 1.850 0.483 0.516 0.818 0.364 CA 1.215 12 residues pruned to eliminate duplicates X: 17 35.224 2.273 0.640 0.891 1.000 0.812 CB 1.699 17 residues pruned to eliminate duplicates Y: 10 11.163 1.845 0.535 0.546 0.889 0.556 CA 1.413 Z: 21 38.771 2.217 0.684 0.929 1.000 0.950 CB 1.625 21 residues pruned to eliminate duplicates Z: 11 9.326 1.789 0.159 0.551 0.900 0.600 C 1.503 10 residues pruned to eliminate duplicates Z: 17 11.221 2.022 0.338 0.444 0.875 0.562 CB 1.256 Z: 55 23.692 1.990 0.446 0.428 0.852 0.574 CB 1.417 Z: 18 23.655 2.054 0.482 0.891 0.882 0.765 CB 1.536 17 residues pruned to eliminate duplicates Z: 16 33.609 2.185 0.846 0.883 0.933 0.867 CB 1.667 16 residues pruned to eliminate duplicates Z: 15 9.592 2.027 0.174 0.384 0.786 0.571 CB 1.552 15 residues pruned to eliminate duplicates Z: 19 14.257 2.002 0.422 0.434 0.889 0.722 CB 1.422 15 residues pruned to eliminate duplicates Z: 16 22.206 2.013 0.342 0.828 1.000 0.867 CA 1.598 16 residues pruned to eliminate duplicates Z: 9 11.226 1.859 0.316 0.823 0.875 0.625 CB 1.402 8 residues pruned to eliminate duplicates Z: 19 29.938 2.083 0.575 0.925 1.000 0.944 CB 1.509 18 residues pruned to eliminate duplicates Z: 12 24.681 2.007 0.875 0.828 1.000 0.636 CB 1.490 12 residues pruned to eliminate duplicates Z: 31 23.119 2.151 0.670 0.386 0.900 0.533 CB 1.474 10 residues pruned to eliminate duplicates Z: 9 11.672 1.695 0.443 0.718 1.000 1.000 N 1.386 11 residues pruned to eliminate duplicates Z: 58 29.391 1.991 0.552 0.478 0.895 0.544 CA 1.440 19 residues pruned to eliminate duplicates Z: 21 36.981 2.291 0.552 0.919 1.000 1.000 CB 1.638 21 residues pruned to eliminate duplicates Z: 28 15.102 1.858 0.402 0.436 0.926 0.556 CB 1.288 28 residues pruned to eliminate duplicates Z: 26 17.878 2.094 0.562 0.415 0.880 0.480 CA 1.357 15 residues pruned to eliminate duplicates Z: 13 21.530 2.265 0.486 0.905 0.917 0.667 CB 1.434 14 residues pruned to eliminate duplicates Z: 46 35.145 2.055 0.607 0.623 0.933 0.756 CA 1.513 51 residues pruned to eliminate duplicates Z: 17 8.664 1.923 0.398 0.244 0.750 0.438 CA 1.444 17 residues pruned to eliminate duplicates Z: 11 16.009 2.070 0.219 0.842 1.000 0.700 CB 1.495 10 residues pruned to eliminate duplicates Z: 20 44.255 2.283 0.973 0.929 1.000 0.737 CB 1.578 20 residues pruned to eliminate duplicates Z: 15 12.947 1.948 0.412 0.417 0.929 0.643 CA 1.477 Z: 28 22.651 2.090 0.683 0.411 0.926 0.593 CA 1.468 Z: 45 28.500 2.077 0.450 0.510 0.932 0.500 CA 1.516 25 residues pruned to eliminate duplicates Z: 38 17.224 1.897 0.390 0.368 0.919 0.541 CA 1.347 5 residues pruned to eliminate duplicates Z: 11 9.079 1.928 0.549 0.354 0.700 0.500 N 1.609 Z: 14 17.363 2.230 0.096 0.884 1.000 0.846 CB 1.423 14 residues pruned to eliminate duplicates Z: 13 9.991 1.996 0.522 0.413 0.750 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 11 17.646 2.182 0.266 0.882 1.000 0.700 CB 1.462 11 residues pruned to eliminate duplicates Z: 18 16.508 1.963 0.298 0.661 0.941 0.706 CB 1.439 19 residues pruned to eliminate duplicates Z: 9 15.246 1.724 0.729 0.869 1.000 0.625 CA 1.321 9 residues pruned to eliminate duplicates Z: 12 14.330 2.112 0.485 0.826 0.909 0.545 CB 1.143 11 residues pruned to eliminate duplicates Z: 21 33.933 2.230 0.973 0.874 0.900 0.650 CB 1.395 21 residues pruned to eliminate duplicates Z: 34 26.446 2.178 0.670 0.473 0.909 0.455 CB 1.431 30 residues pruned to eliminate duplicates Z: 7 8.465 2.026 0.733 0.465 0.833 0.333 CA 1.223 7 residues pruned to eliminate duplicates Z: 20 20.693 1.952 0.170 0.892 1.000 0.895 CA 1.492 20 residues pruned to eliminate duplicates Z: 15 23.934 2.024 0.683 0.906 1.000 0.714 CB 1.336 14 residues pruned to eliminate duplicates Z: 11 4.938 1.756 -0.002 0.442 0.800 0.500 CB 1.184 Z: 22 36.169 2.248 0.715 0.892 0.952 0.571 CB 1.544 21 residues pruned to eliminate duplicates Z: 22 29.694 1.994 0.671 0.884 0.952 0.905 CB 1.475 22 residues pruned to eliminate duplicates Z: 7 11.918 1.960 0.413 0.883 0.833 0.667 CB 1.525 7 residues pruned to eliminate duplicates Z: 11 22.096 2.196 0.575 0.873 1.000 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 48 19.415 2.000 0.450 0.367 0.809 0.511 CA 1.393 40 residues pruned to eliminate duplicates Z: 38 29.428 2.108 0.419 0.599 0.946 0.649 CA 1.555 38 residues pruned to eliminate duplicates Z: 24 22.569 2.148 0.694 0.420 0.913 0.565 CA 1.540 24 residues pruned to eliminate duplicates Z: 19 28.454 2.007 0.562 0.885 1.000 0.778 CA 1.544 18 residues pruned to eliminate duplicates Z: 38 24.565 1.957 0.396 0.605 0.892 0.703 CB 1.500 38 residues pruned to eliminate duplicates Z: 15 5.724 1.951 0.055 0.275 0.714 0.286 CA 1.342 4 residues pruned to eliminate duplicates Z: 18 11.295 1.913 0.380 0.425 0.765 0.471 CB 1.468 16 residues pruned to eliminate duplicates Z: 10 15.049 2.104 0.598 0.679 1.000 0.667 CA 1.265 10 residues pruned to eliminate duplicates Z: 20 23.951 1.967 0.532 0.834 0.947 0.474 CA 1.442 20 residues pruned to eliminate duplicates Z: 16 5.668 1.803 0.026 0.338 0.867 0.600 CB 1.090 Z: 9 8.492 1.833 0.499 0.785 0.625 0.500 CA 1.361 9 residues pruned to eliminate duplicates Z: 8 11.301 2.097 0.281 0.837 0.857 0.429 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 15.438 2.081 0.306 0.838 1.000 0.727 CA 1.280 12 residues pruned to eliminate duplicates Z: 13 22.168 2.174 0.654 0.919 1.000 0.667 CB 1.254 13 residues pruned to eliminate duplicates Z: 9 5.336 1.960 0.076 0.453 0.750 0.500 CB 1.251 Z: 18 11.785 1.931 0.386 0.394 0.824 0.471 CB 1.451 9 residues pruned to eliminate duplicates Z: 9 15.457 2.086 0.744 0.797 1.000 0.875 CB 1.159 15 residues pruned to eliminate duplicates Z: 11 10.846 2.050 0.307 0.652 0.900 0.500 CA 1.235 8 residues pruned to eliminate duplicates Z: 6 3.890 1.796 0.522 0.392 0.800 0.600 CB 0.892 Z: 15 22.260 2.147 0.870 0.838 0.857 0.500 CB 1.292 15 residues pruned to eliminate duplicates Z: 14 9.744 2.029 0.498 0.373 0.769 0.538 CA 1.324 Z: 21 29.879 2.036 0.571 0.925 1.000 0.900 CB 1.466 21 residues pruned to eliminate duplicates Z: 24 19.591 2.087 0.556 0.401 0.913 0.478 CA 1.530 24 residues pruned to eliminate duplicates Z: 21 15.103 1.801 0.483 0.583 0.950 0.500 CA 1.229 5 residues pruned to eliminate duplicates Z: 11 9.787 1.942 0.724 0.346 0.800 0.500 CA 1.366 Z: 8 8.795 1.722 0.497 0.761 0.857 0.571 CB 1.192 7 residues pruned to eliminate duplicates Z: 12 14.664 2.121 0.481 0.442 0.909 0.636 CA 1.644 13 residues pruned to eliminate duplicates Z: 17 15.488 1.927 0.526 0.580 0.938 0.500 CB 1.300 17 residues pruned to eliminate duplicates Z: 28 14.452 2.005 0.418 0.362 0.778 0.481 CB 1.458 28 residues pruned to eliminate duplicates Z: 7 3.135 1.655 0.378 0.379 0.667 0.333 CB 0.957 Z: 30 19.352 2.029 0.377 0.478 0.931 0.621 CA 1.413 27 residues pruned to eliminate duplicates Z: 22 31.193 2.020 0.577 0.924 1.000 0.714 CB 1.501 22 residues pruned to eliminate duplicates Z: 9 12.396 2.020 0.620 0.465 0.875 0.500 CB 1.586 9 residues pruned to eliminate duplicates Z: 11 15.412 2.039 0.415 0.818 0.800 0.600 CA 1.602 11 residues pruned to eliminate duplicates Z: 55 25.716 2.005 0.367 0.479 0.907 0.537 CA 1.438 56 residues pruned to eliminate duplicates Z: 25 15.297 2.026 0.408 0.423 0.875 0.333 CA 1.355 24 residues pruned to eliminate duplicates Z: 17 22.857 1.986 0.384 0.865 0.938 0.875 CB 1.625 17 residues pruned to eliminate duplicates Z: 64 36.950 1.990 0.641 0.568 0.937 0.619 CA 1.425 44 residues pruned to eliminate duplicates Z: 62 36.235 2.108 0.479 0.577 0.902 0.590 CA 1.532 63 residues pruned to eliminate duplicates Z: 18 14.498 1.943 0.368 0.793 0.706 0.529 CB 1.449 17 residues pruned to eliminate duplicates Z: 21 41.697 2.284 0.956 0.921 0.950 0.750 CB 1.546 22 residues pruned to eliminate duplicates Z: 12 8.198 1.803 0.368 0.491 0.818 0.636 N 1.237 5 residues pruned to eliminate duplicates Z: 7 4.842 1.984 0.107 0.726 0.667 0.500 CB 1.101 7 residues pruned to eliminate duplicates Z: 21 34.325 2.080 0.859 0.917 0.950 0.600 CB 1.475 21 residues pruned to eliminate duplicates Z: 16 14.169 1.870 0.003 0.912 1.000 0.933 CB 1.381 16 residues pruned to eliminate duplicates Z: 13 8.810 1.929 0.241 0.470 0.750 0.417 CA 1.460 13 residues pruned to eliminate duplicates Z: 21 13.611 1.911 0.791 0.330 0.850 0.550 CA 1.260 22 residues pruned to eliminate duplicates Z: 21 10.978 1.831 0.418 0.338 0.750 0.450 CA 1.504 21 residues pruned to eliminate duplicates Z: 6 5.365 1.878 0.678 0.458 0.600 0.000 CA 1.324 6 residues pruned to eliminate duplicates Z: 32 16.301 1.968 0.527 0.390 0.806 0.548 CB 1.357 28 residues pruned to eliminate duplicates Z: 19 15.715 1.815 0.626 0.417 0.889 0.500 CA 1.540 9 residues pruned to eliminate duplicates Z: 45 28.453 2.054 0.541 0.525 0.909 0.545 CA 1.455 45 residues pruned to eliminate duplicates Z: 9 2.648 1.714 -0.133 0.421 0.625 0.625 CB 1.095 Z: 7 18.725 2.163 1.061 0.658 1.000 0.667 CB 1.481 7 residues pruned to eliminate duplicates Z: 15 9.099 1.819 0.306 0.374 0.857 0.571 CA 1.366 15 residues pruned to eliminate duplicates Z: 10 11.725 1.886 0.346 0.531 1.000 0.556 CB 1.494 8 residues pruned to eliminate duplicates Z: 15 17.564 2.074 0.338 0.890 1.000 0.929 CB 1.217 15 residues pruned to eliminate duplicates Z: 12 19.552 2.070 0.518 0.803 1.000 0.636 CB 1.440 12 residues pruned to eliminate duplicates Z: 19 39.864 2.284 0.794 0.893 1.000 0.389 CB 1.646 19 residues pruned to eliminate duplicates Z: 9 8.024 1.896 0.248 0.423 1.000 0.375 CB 1.299 9 residues pruned to eliminate duplicates Z: 19 22.868 1.969 0.494 0.838 1.000 0.667 CA 1.370 19 residues pruned to eliminate duplicates Z: 12 8.664 1.865 0.421 0.404 0.818 0.545 CB 1.333 12 residues pruned to eliminate duplicates Z: 36 14.398 1.806 0.302 0.381 0.886 0.486 CB 1.327 36 residues pruned to eliminate duplicates Z: 15 24.374 2.030 0.395 0.937 1.000 1.000 CB 1.601 15 residues pruned to eliminate duplicates Z: 19 18.871 1.983 0.405 0.856 0.889 0.500 CB 1.325 19 residues pruned to eliminate duplicates Z: 12 13.224 2.068 0.398 0.648 0.909 0.636 CA 1.321 12 residues pruned to eliminate duplicates Z: 20 14.486 1.913 0.462 0.441 0.895 0.579 CA 1.411 20 residues pruned to eliminate duplicates Z: 11 11.820 1.901 0.357 0.568 0.900 0.800 CA 1.507 11 residues pruned to eliminate duplicates Z: 27 15.725 1.949 0.262 0.475 0.923 0.577 CB 1.393 6 residues pruned to eliminate duplicates Z: 28 16.311 2.037 0.469 0.323 0.852 0.519 CB 1.496 36 residues pruned to eliminate duplicates Z: 10 9.494 1.977 0.341 0.600 0.889 0.778 CA 1.221 10 residues pruned to eliminate duplicates Z: 6 6.259 1.921 0.528 0.492 0.800 0.600 CA 1.202 6 residues pruned to eliminate duplicates Z: 53 19.559 1.952 0.328 0.356 0.885 0.500 CB 1.382 53 residues pruned to eliminate duplicates Z: 9 8.008 1.576 0.638 0.866 0.875 0.750 CB 0.918 9 residues pruned to eliminate duplicates Z: 34 27.855 2.123 0.581 0.512 0.909 0.636 CA 1.572 34 residues pruned to eliminate duplicates Z: 9 10.569 1.780 0.660 0.497 1.000 0.750 CB 1.268 9 residues pruned to eliminate duplicates Z: 17 12.617 1.936 0.136 0.795 0.812 0.625 CA 1.363 17 residues pruned to eliminate duplicates Z: 8 6.299 1.805 -0.100 0.515 1.000 0.429 N 1.445 8 residues pruned to eliminate duplicates Z: 22 32.746 1.964 0.714 0.908 1.000 0.762 CB 1.508 22 residues pruned to eliminate duplicates Z: 24 20.539 2.037 0.731 0.468 0.870 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 6 6.690 1.762 0.604 0.300 1.000 0.600 CA 1.324 9 1.758 1.646 -0.013 0.196 0.625 0.375 CB 0.880 ? Z: 14 11.752 2.044 0.399 0.417 0.846 0.692 CA 1.469 14 residues pruned to eliminate duplicates Z: 17 19.912 2.088 0.358 0.870 0.938 0.562 CB 1.367 17 residues pruned to eliminate duplicates Z: 8 14.292 1.878 0.484 0.868 1.000 0.429 CB 1.417 7 residues pruned to eliminate duplicates Z: 44 24.621 2.032 0.551 0.410 0.860 0.535 CB 1.521 44 residues pruned to eliminate duplicates Z: 10 5.561 1.853 0.380 0.369 0.778 0.667 CB 1.072 6 residues pruned to eliminate duplicates Z: 17 6.864 1.719 0.275 0.388 0.875 0.500 CB 1.008 10 residues pruned to eliminate duplicates Z: 6 3.543 1.531 0.455 0.410 0.800 0.400 CA 0.977 Z: 6 11.818 1.861 0.557 0.719 1.000 1.000 CA 1.497 Z: 40 13.912 1.885 0.311 0.396 0.795 0.564 CB 1.264 38 residues pruned to eliminate duplicates Z: 12 9.578 2.024 0.688 0.418 0.818 0.636 CA 1.125 12 residues pruned to eliminate duplicates Z: 29 13.422 1.946 0.234 0.397 0.893 0.536 CB 1.320 29 residues pruned to eliminate duplicates Z: 7 4.988 1.678 -0.009 0.576 1.000 0.667 CB 1.139 Z: 23 15.567 2.012 0.459 0.395 0.818 0.591 CB 1.544 12 residues pruned to eliminate duplicates Z: 8 11.290 1.859 0.500 0.811 0.857 0.571 CB 1.361 8 residues pruned to eliminate duplicates Z: 13 8.580 1.707 0.289 0.480 0.833 0.500 CB 1.379 13 residues pruned to eliminate duplicates Z: 27 26.170 2.149 0.847 0.453 0.885 0.538 CA 1.535 35 residues pruned to eliminate duplicates Z: 34 17.304 1.848 0.535 0.384 0.848 0.545 CB 1.415 Z: 10 8.548 2.004 0.346 0.499 0.778 0.556 CB 1.359 10 residues pruned to eliminate duplicates Z: 19 18.125 2.017 0.078 0.925 1.000 1.000 CB 1.378 19 residues pruned to eliminate duplicates Z: 14 13.157 2.055 0.318 0.463 0.923 0.615 CA 1.516 14 residues pruned to eliminate duplicates Z: 10 8.158 1.982 0.329 0.246 0.889 0.556 CB 1.557 10 residues pruned to eliminate duplicates Z: 21 22.099 2.086 0.877 0.560 0.900 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 31 19.474 1.943 0.480 0.410 0.933 0.533 CA 1.455 33 residues pruned to eliminate duplicates Z: 19 13.626 1.883 0.785 0.369 0.833 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 15 9.577 1.851 0.421 0.316 1.000 0.357 CA 1.193 15 residues pruned to eliminate duplicates Z: 9 9.607 1.895 0.561 0.794 0.750 0.750 CB 1.183 12 residues pruned to eliminate duplicates Z: 21 10.941 1.791 0.333 0.311 0.850 0.500 CA 1.487 21 residues pruned to eliminate duplicates Z: 12 8.908 1.830 0.336 0.484 0.818 0.545 CA 1.364 12 residues pruned to eliminate duplicates Z: 18 11.913 2.051 0.531 0.269 0.941 0.588 CB 1.271 18 residues pruned to eliminate duplicates Z: 18 11.080 1.833 0.497 0.423 0.824 0.412 CA 1.289 18 residues pruned to eliminate duplicates 6 1.350 1.524 0.036 0.298 0.600 0.400 CA 0.798 ? Z: 37 20.912 1.978 0.540 0.470 0.889 0.472 CB 1.327 37 residues pruned to eliminate duplicates Z: 7 5.423 1.826 0.345 0.671 0.833 0.667 CB 0.923 Z: 20 16.118 2.046 0.440 0.505 0.895 0.632 CA 1.396 20 residues pruned to eliminate duplicates Z: 19 14.696 1.971 0.605 0.391 0.833 0.611 CB 1.475 19 residues pruned to eliminate duplicates Z: 7 4.494 1.786 0.467 0.362 0.667 0.500 CA 1.219 7 residues pruned to eliminate duplicates Z: 56 23.090 1.952 0.310 0.445 0.964 0.600 CB 1.336 56 residues pruned to eliminate duplicates Z: 43 19.005 1.946 0.371 0.365 0.857 0.571 CB 1.482 43 residues pruned to eliminate duplicates Z: 22 11.788 1.917 0.615 0.373 0.810 0.429 CB 1.176 22 residues pruned to eliminate duplicates Z: 11 22.776 2.122 0.726 0.920 1.000 0.900 CB 1.384 11 residues pruned to eliminate duplicates Z: 27 11.289 1.848 0.451 0.338 0.846 0.500 CB 1.165 27 residues pruned to eliminate duplicates Z: 12 8.717 1.783 0.361 0.401 0.909 0.545 CB 1.322 12 residues pruned to eliminate duplicates Z: 61 22.259 1.923 0.386 0.331 0.917 0.467 CA 1.415 61 residues pruned to eliminate duplicates Z: 53 26.224 2.006 0.375 0.492 0.923 0.577 CB 1.440 53 residues pruned to eliminate duplicates Z: 16 19.221 2.005 0.318 0.889 1.000 0.733 CB 1.352 16 residues pruned to eliminate duplicates Z: 17 9.187 1.744 0.660 0.329 0.688 0.375 CB 1.391 17 residues pruned to eliminate duplicates Z: 17 13.789 2.079 0.437 0.414 0.875 0.625 CB 1.444 17 residues pruned to eliminate duplicates Z: 19 20.511 2.104 0.690 0.494 0.889 0.611 CA 1.539 19 residues pruned to eliminate duplicates Z: 8 4.792 1.603 0.003 0.602 0.857 0.714 N 1.192 Z: 12 9.386 2.071 0.437 0.379 1.000 0.455 CA 1.082 Z: 20 22.224 1.984 0.585 0.899 0.947 0.579 CB 1.223 20 residues pruned to eliminate duplicates Z: 20 15.627 2.058 0.261 0.506 0.947 0.632 CA 1.449 20 residues pruned to eliminate duplicates Z: 8 11.963 1.902 0.482 0.674 1.000 0.714 CA 1.367 Z: 61 26.421 2.001 0.400 0.446 0.917 0.633 CB 1.404 61 residues pruned to eliminate duplicates Z: 17 10.191 1.714 0.365 0.476 0.938 0.688 CB 1.190 17 residues pruned to eliminate duplicates Z: 37 18.776 1.958 0.317 0.421 0.917 0.528 CB 1.437 37 residues pruned to eliminate duplicates Z: 16 10.731 1.910 0.335 0.388 0.933 0.667 CB 1.310 16 residues pruned to eliminate duplicates Z: 7 4.771 1.643 0.551 0.473 0.833 0.500 CB 0.943 Z: 8 5.668 1.952 0.059 0.372 1.000 0.429 CB 1.190 8 residues pruned to eliminate duplicates Z: 67 36.367 2.015 0.492 0.608 0.924 0.621 CA 1.454 67 residues pruned to eliminate duplicates Z: 18 17.795 1.938 0.554 0.648 0.941 0.706 CB 1.327 18 residues pruned to eliminate duplicates Z: 31 17.968 1.874 0.622 0.367 0.867 0.433 CB 1.437 21 residues pruned to eliminate duplicates Z: 18 9.440 1.745 0.516 0.417 0.765 0.529 CB 1.234 17 residues pruned to eliminate duplicates Z: 6 5.611 1.825 0.752 0.434 0.600 0.400 CB 1.400 6 residues pruned to eliminate duplicates Z: 20 23.833 2.088 0.730 0.527 0.947 0.579 CB 1.556 27 residues pruned to eliminate duplicates Z: 29 19.027 2.046 0.431 0.507 0.893 0.607 CA 1.365 29 residues pruned to eliminate duplicates Z: 22 29.171 1.959 0.612 0.918 1.000 0.619 CB 1.420 22 residues pruned to eliminate duplicates Z: 48 21.843 1.982 0.325 0.413 0.915 0.574 CB 1.453 48 residues pruned to eliminate duplicates Z: 27 12.813 1.874 0.379 0.404 0.846 0.615 CB 1.270 27 residues pruned to eliminate duplicates Z: 8 9.774 1.718 0.558 0.625 1.000 0.714 CB 1.226 Z: 44 21.168 1.944 0.390 0.399 0.930 0.535 CA 1.428 44 residues pruned to eliminate duplicates Z: 10 13.120 2.123 0.541 0.783 1.000 0.556 CB 1.042 10 residues pruned to eliminate duplicates Z: 15 8.944 1.841 0.449 0.331 0.786 0.429 CA 1.373 15 residues pruned to eliminate duplicates Z: 15 11.083 1.944 0.671 0.327 0.857 0.500 CB 1.286 15 residues pruned to eliminate duplicates Z: 11 4.327 1.724 0.517 0.358 0.800 0.500 CB 0.762 11 residues pruned to eliminate duplicates Z: 10 4.938 1.527 -0.057 0.491 0.889 0.444 CB 1.297 Z: 14 8.570 1.726 0.493 0.509 0.846 0.692 CB 1.081 14 residues pruned to eliminate duplicates Z: 8 6.053 1.839 0.040 0.524 0.857 0.571 CB 1.364 8 residues pruned to eliminate duplicates Z: 7 11.200 1.877 0.903 0.820 0.833 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 10 8.408 1.955 0.541 0.495 0.667 0.667 CB 1.402 10 residues pruned to eliminate duplicates Z: 9 12.193 2.014 0.606 0.424 1.000 0.750 CA 1.443 9 residues pruned to eliminate duplicates Z: 18 9.240 1.854 0.352 0.401 0.765 0.647 CA 1.296 18 residues pruned to eliminate duplicates Z: 12 15.923 1.963 0.209 0.904 1.000 0.818 CB 1.441 12 residues pruned to eliminate duplicates Z: 33 17.310 2.038 0.461 0.324 0.844 0.531 CA 1.478 24 residues pruned to eliminate duplicates Z: 8 6.058 1.840 0.221 0.718 0.714 0.571 CB 1.171 8 residues pruned to eliminate duplicates Z: 37 19.870 2.009 0.214 0.465 0.944 0.639 CA 1.490 37 residues pruned to eliminate duplicates Z: 9 10.582 1.904 0.233 0.844 0.875 0.750 CA 1.356 9 residues pruned to eliminate duplicates Z: 34 29.351 2.158 0.638 0.551 0.909 0.515 CA 1.514 40 residues pruned to eliminate duplicates Z: 13 10.575 1.892 0.309 0.494 1.000 0.667 CB 1.240 13 residues pruned to eliminate duplicates Z: 44 30.179 2.103 0.514 0.517 0.907 0.535 CB 1.566 44 residues pruned to eliminate duplicates Z: 7 3.927 1.667 -0.391 0.664 1.000 0.833 CB 1.357 7 residues pruned to eliminate duplicates Z: 32 14.505 1.905 0.476 0.399 0.806 0.516 CB 1.277 32 residues pruned to eliminate duplicates Z: 8 11.429 1.737 0.643 0.853 1.000 0.714 CA 1.118 8 residues pruned to eliminate duplicates Z: 8 4.498 1.609 0.371 0.523 0.714 0.571 CB 1.055 8 residues pruned to eliminate duplicates Z: 48 20.600 1.959 0.316 0.401 0.915 0.532 CA 1.413 48 residues pruned to eliminate duplicates Z: 8 8.275 1.660 0.731 0.738 0.857 0.857 CA 1.026 8 residues pruned to eliminate duplicates Z: 19 9.913 1.888 0.502 0.332 0.722 0.389 CA 1.371 19 residues pruned to eliminate duplicates Z: 59 26.975 2.001 0.351 0.469 0.966 0.534 CB 1.401 59 residues pruned to eliminate duplicates Z: 15 15.549 2.056 0.393 0.879 1.000 0.714 CB 1.052 15 residues pruned to eliminate duplicates Z: 8 4.939 1.697 0.320 0.311 0.714 0.571 N 1.439 Z: 11 16.404 1.852 0.828 0.820 1.000 0.600 CB 1.162 11 residues pruned to eliminate duplicates Z: 20 8.999 1.770 0.492 0.304 0.895 0.474 CA 1.087 20 residues pruned to eliminate duplicates Z: 29 10.701 1.888 0.207 0.362 0.821 0.571 CB 1.253 29 residues pruned to eliminate duplicates Z: 10 5.354 1.836 0.234 0.403 0.889 0.444 CB 0.981 10 residues pruned to eliminate duplicates Z: 35 16.112 1.937 0.370 0.418 0.882 0.559 CB 1.286 35 residues pruned to eliminate duplicates Z: 18 7.500 1.621 0.364 0.378 0.882 0.647 CB 1.062 12 residues pruned to eliminate duplicates Z: 37 14.413 1.912 0.452 0.323 0.833 0.611 CB 1.262 37 residues pruned to eliminate duplicates Z: 12 18.492 1.984 0.553 0.853 0.909 0.818 CB 1.471 12 residues pruned to eliminate duplicates Z: 8 8.040 1.924 0.422 0.702 0.857 0.714 N 1.078 Z: 32 20.705 2.027 0.587 0.356 0.903 0.419 CA 1.495 32 residues pruned to eliminate duplicates Z: 33 16.106 1.865 0.390 0.450 0.875 0.688 CA 1.322 33 residues pruned to eliminate duplicates Z: 21 7.723 1.897 0.229 0.337 0.750 0.550 CB 1.181 21 residues pruned to eliminate duplicates Z: 21 27.735 1.933 0.824 0.874 0.950 0.600 CB 1.348 21 residues pruned to eliminate duplicates Z: 11 10.770 1.679 0.675 0.490 0.900 0.600 CA 1.358 Z: 11 8.579 1.942 0.518 0.461 0.900 0.700 CA 1.064 11 residues pruned to eliminate duplicates Z: 22 36.659 2.198 1.196 0.904 0.857 0.571 CB 1.377 22 residues pruned to eliminate duplicates Z: 16 11.668 2.002 0.467 0.368 0.867 0.533 CA 1.365 16 residues pruned to eliminate duplicates Z: 20 20.264 1.978 0.274 0.877 1.000 0.842 CA 1.340 20 residues pruned to eliminate duplicates Z: 13 12.826 2.077 0.580 0.447 0.833 0.667 CA 1.430 13 residues pruned to eliminate duplicates Z: 10 4.424 1.864 0.220 0.451 0.778 0.444 CB 0.877 10 residues pruned to eliminate duplicates Z: 26 10.150 1.813 0.219 0.420 0.840 0.680 CB 1.188 26 residues pruned to eliminate duplicates Z: 55 23.824 1.984 0.359 0.467 0.889 0.593 CB 1.399 55 residues pruned to eliminate duplicates Z: 15 8.619 1.808 0.448 0.395 0.786 0.643 CB 1.250 15 residues pruned to eliminate duplicates Z: 18 13.997 2.073 0.178 0.774 0.882 0.765 CB 1.237 18 residues pruned to eliminate duplicates Z: 8 3.451 1.377 0.288 0.325 0.714 0.571 CA 1.248 Z: 22 13.328 1.932 0.542 0.410 0.857 0.667 CB 1.252 17 residues pruned to eliminate duplicates Z: 20 27.038 1.888 0.862 0.820 0.947 0.368 CA 1.412 20 residues pruned to eliminate duplicates Z: 7 6.305 1.807 0.068 0.658 1.000 0.500 CB 1.152 7 residues pruned to eliminate duplicates Z: 11 15.662 1.966 0.464 0.858 0.900 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 9 8.053 1.571 0.336 0.867 1.000 0.500 CA 0.992 9 residues pruned to eliminate duplicates Z: 9 5.758 1.760 0.623 0.261 0.750 0.375 CB 1.248 Z: 7 3.197 1.628 0.160 0.586 0.833 0.667 N 0.764 Z: 63 23.367 1.952 0.377 0.438 0.871 0.516 CB 1.351 63 residues pruned to eliminate duplicates Z: 21 40.313 2.287 1.002 0.899 0.900 0.450 CB 1.564 21 residues pruned to eliminate duplicates Z: 60 31.792 2.028 0.540 0.445 0.881 0.525 CA 1.591 76 residues pruned to eliminate duplicates Z: 22 23.443 2.075 0.189 0.885 1.000 0.952 CB 1.497 22 residues pruned to eliminate duplicates Z: 10 5.452 1.601 0.314 0.427 0.889 0.556 CB 1.048 9 residues pruned to eliminate duplicates Z: 20 10.196 1.750 0.389 0.520 0.895 0.737 CB 1.054 18 residues pruned to eliminate duplicates Z: 9 8.094 1.798 0.323 0.768 0.875 0.750 CA 1.085 9 residues pruned to eliminate duplicates Z: 8 5.889 1.541 0.587 0.538 0.714 0.571 CA 1.227 7 residues pruned to eliminate duplicates Z: 6 4.613 1.653 0.078 0.643 1.000 0.800 N 1.013 Z: 64 33.069 2.002 0.587 0.513 0.921 0.540 CA 1.405 64 residues pruned to eliminate duplicates Z: 30 18.329 1.948 0.254 0.463 0.966 0.586 CA 1.499 30 residues pruned to eliminate duplicates Z: 14 15.425 2.017 0.515 0.495 1.000 0.615 CB 1.408 22 residues pruned to eliminate duplicates Z: 29 11.484 1.901 0.203 0.359 0.857 0.571 CB 1.289 29 residues pruned to eliminate duplicates Z: 12 15.894 1.994 0.490 0.720 0.909 0.909 CB 1.455 12 residues pruned to eliminate duplicates Z: 14 10.713 1.810 0.470 0.459 0.923 0.769 CA 1.262 14 residues pruned to eliminate duplicates Z: 10 4.003 1.537 0.459 0.252 0.667 0.333 CB 1.187 Z: 18 18.310 1.989 0.358 0.876 0.941 0.647 CB 1.270 18 residues pruned to eliminate duplicates Z: 10 5.447 1.817 0.305 0.375 0.778 0.444 CA 1.125 10 residues pruned to eliminate duplicates Z: 11 7.408 1.955 0.401 0.388 0.800 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 7 12.671 1.956 0.711 0.743 0.833 0.500 CB 1.491 7 residues pruned to eliminate duplicates Z: 59 30.977 2.105 0.790 0.546 0.810 0.500 CB 1.274 68 residues pruned to eliminate duplicates Z: 61 24.407 1.965 0.381 0.420 0.917 0.483 CB 1.377 61 residues pruned to eliminate duplicates Z: 36 18.129 1.818 0.429 0.419 0.886 0.571 CB 1.449 68 residues pruned to eliminate duplicates Z: 13 18.605 2.038 0.633 0.781 0.917 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 39 20.740 2.052 0.371 0.490 0.895 0.658 CA 1.351 39 residues pruned to eliminate duplicates Z: 20 28.620 2.041 0.607 0.897 0.947 0.632 CB 1.513 20 residues pruned to eliminate duplicates Z: 21 12.857 2.053 0.344 0.358 0.800 0.500 CB 1.519 35 residues pruned to eliminate duplicates Z: 12 7.100 1.660 0.670 0.384 0.727 0.545 CA 1.201 Z: 9 8.818 2.022 0.214 0.512 1.000 0.500 CB 1.254 9 residues pruned to eliminate duplicates Z: 77 50.867 2.184 0.689 0.571 0.961 0.513 CB 1.537 82 residues pruned to eliminate duplicates Z: 10 18.904 1.996 0.987 0.618 0.889 0.778 CB 1.599 11 residues pruned to eliminate duplicates Z: 21 14.983 2.049 0.516 0.320 0.850 0.500 CA 1.548 21 residues pruned to eliminate duplicates Z: 23 18.647 2.033 0.628 0.401 0.955 0.545 CA 1.396 23 residues pruned to eliminate duplicates Z: 10 9.189 2.017 0.384 0.483 0.778 0.667 CB 1.435 10 residues pruned to eliminate duplicates Z: 10 13.441 1.971 0.517 0.669 0.889 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 6 3.422 1.479 0.683 0.460 0.800 0.600 CB 0.800 6 1.163 1.585 0.043 0.389 0.600 0.400 CB 0.590 ? Z: 10 8.992 1.787 0.425 0.531 0.889 0.667 N 1.284 Z: 21 26.676 2.256 0.685 0.640 1.000 0.750 CA 1.376 21 residues pruned to eliminate duplicates Z: 7 11.579 1.962 0.764 0.744 0.833 0.500 CB 1.318 Z: 6 6.397 1.748 0.000 0.792 1.000 0.600 CB 1.266 Z: 28 12.223 1.897 0.297 0.412 0.852 0.630 CB 1.230 28 residues pruned to eliminate duplicates Z: 51 20.881 1.970 0.458 0.393 0.880 0.580 CB 1.308 51 residues pruned to eliminate duplicates Z: 23 10.398 1.821 0.367 0.356 0.909 0.545 CB 1.145 23 residues pruned to eliminate duplicates Z: 8 3.095 1.336 0.243 0.490 0.714 0.429 O 0.997 Z: 31 20.313 2.103 0.634 0.292 0.900 0.467 CB 1.514 31 residues pruned to eliminate duplicates Z: 15 12.411 1.905 0.541 0.407 0.929 0.571 CB 1.342 19 residues pruned to eliminate duplicates Z: 15 14.438 2.108 0.094 0.879 0.929 0.857 CB 1.306 15 residues pruned to eliminate duplicates Z: 8 4.189 1.522 0.362 0.410 0.714 0.286 CB 1.175 7 residues pruned to eliminate duplicates Z: 6 3.120 1.556 0.143 0.322 0.800 0.600 C 1.194 Z: 15 8.832 1.764 0.444 0.482 0.857 0.500 CB 1.101 10 residues pruned to eliminate duplicates Z: 81 47.909 2.149 0.772 0.550 0.913 0.512 CB 1.467 82 residues pruned to eliminate duplicates Z: 11 11.729 2.008 0.309 0.567 0.900 0.600 CB 1.469 11 residues pruned to eliminate duplicates Z: 17 23.768 2.208 0.788 0.870 0.688 0.625 CB 1.597 17 residues pruned to eliminate duplicates Z: 18 12.010 1.689 0.416 0.520 0.824 0.529 CA 1.450 18 residues pruned to eliminate duplicates Z: 36 25.198 2.025 0.687 0.478 0.886 0.457 CB 1.440 36 residues pruned to eliminate duplicates Z: 6 5.044 1.731 0.052 0.518 0.800 0.400 N 1.521 6 residues pruned to eliminate duplicates Z: 16 9.490 1.689 0.340 0.344 1.000 0.600 CA 1.282 16 residues pruned to eliminate duplicates Z: 8 9.062 1.680 0.399 0.803 1.000 0.857 CA 1.118 8 residues pruned to eliminate duplicates Z: 8 2.520 1.416 0.157 0.477 0.714 0.286 CB 0.833 Z: 16 8.994 1.950 0.179 0.399 0.800 0.467 CB 1.405 16 residues pruned to eliminate duplicates Z: 34 18.640 2.008 0.585 0.360 0.818 0.394 CA 1.448 34 residues pruned to eliminate duplicates Z: 20 12.864 1.944 0.520 0.324 0.842 0.474 CA 1.439 20 residues pruned to eliminate duplicates Z: 11 20.231 1.883 0.666 0.866 1.000 0.700 CB 1.493 11 residues pruned to eliminate duplicates Z: 10 3.664 1.563 0.005 0.460 0.778 0.444 CB 1.042 Z: 28 15.007 1.774 0.396 0.514 0.889 0.630 CA 1.294 28 residues pruned to eliminate duplicates Z: 21 18.552 1.962 0.644 0.603 0.950 0.700 CB 1.227 22 residues pruned to eliminate duplicates Z: 6 3.689 1.416 0.535 0.401 0.800 0.400 N 1.053 Z: 7 5.264 1.668 0.721 0.374 0.833 0.667 CA 1.029 7 residues pruned to eliminate duplicates Z: 14 23.532 2.196 0.520 0.869 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 7 2.704 1.745 -0.121 0.449 0.833 0.500 CB 0.910 7 residues pruned to eliminate duplicates Z: 12 19.212 2.158 0.461 0.889 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 20 10.539 1.882 0.602 0.298 0.789 0.474 CA 1.274 20 residues pruned to eliminate duplicates Z: 9 4.262 1.447 0.121 0.485 1.000 0.500 CA 0.943 Z: 7 6.077 1.721 0.528 0.522 0.833 0.667 N 1.109 7 residues pruned to eliminate duplicates Z: 15 12.186 1.921 0.514 0.500 0.857 0.857 CB 1.307 15 residues pruned to eliminate duplicates Z: 9 6.558 1.799 0.253 0.458 0.750 0.500 CA 1.432 10 residues pruned to eliminate duplicates Z: 9 2.730 1.699 0.531 0.199 0.500 0.375 CA 1.062 9 residues pruned to eliminate duplicates 6 1.245 1.428 0.452 0.112 0.400 0.400 N 1.097 ? Z: 29 20.845 2.028 0.581 0.553 0.964 0.714 CA 1.211 29 residues pruned to eliminate duplicates 6 1.125 1.271 0.028 0.252 1.000 0.400 CB 0.512 ? Z: 6 2.194 1.304 0.295 0.360 0.800 0.800 CB 0.845 Z: 8 6.146 1.627 0.170 0.880 0.857 0.571 CA 1.032 Z: 17 21.136 1.967 0.614 0.879 0.938 0.688 CB 1.287 17 residues pruned to eliminate duplicates Z: 63 24.662 1.935 0.394 0.421 0.919 0.581 CA 1.371 63 residues pruned to eliminate duplicates Z: 14 9.990 1.880 0.419 0.512 0.769 0.385 CB 1.335 14 residues pruned to eliminate duplicates Z: 14 9.688 1.889 0.415 0.427 0.769 0.538 CB 1.410 14 residues pruned to eliminate duplicates Z: 13 7.667 1.598 0.352 0.573 0.833 0.583 CB 1.145 12 residues pruned to eliminate duplicates Z: 15 12.159 1.987 0.332 0.509 0.929 0.571 CA 1.311 15 residues pruned to eliminate duplicates Z: 10 5.018 1.501 0.906 0.385 0.778 0.556 CB 0.850 7 residues pruned to eliminate duplicates Z: 10 15.362 1.735 0.712 0.777 1.000 0.667 C 1.350 10 residues pruned to eliminate duplicates Z: 6 3.248 1.555 0.365 0.504 0.600 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 10 3.749 1.426 0.154 0.327 0.778 0.333 N 1.180 5 residues pruned to eliminate duplicates Z: 14 11.384 1.868 0.546 0.395 0.923 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 6 8.018 1.723 0.682 0.864 1.000 0.400 CA 0.907 6 residues pruned to eliminate duplicates Z: 7 10.245 1.907 0.419 0.621 1.000 0.667 CA 1.379 7 residues pruned to eliminate duplicates Z: 8 9.796 1.752 0.415 0.834 1.000 0.857 CB 1.120 8 residues pruned to eliminate duplicates Z: 9 9.809 1.971 0.688 0.495 0.875 0.500 CB 1.198 9 residues pruned to eliminate duplicates Z: 7 5.046 1.870 0.516 0.393 0.833 0.667 CB 0.977 7 residues pruned to eliminate duplicates Z: 9 8.385 1.923 0.638 0.561 1.000 0.625 CB 0.887 9 residues pruned to eliminate duplicates Z: 14 7.131 1.679 0.485 0.324 0.769 0.615 CB 1.251 61 residues pruned to eliminate duplicates Z: 53 30.916 2.036 0.493 0.571 0.942 0.615 CA 1.397 53 residues pruned to eliminate duplicates Z: 9 11.619 1.911 0.445 0.573 0.875 0.875 CB 1.584 9 residues pruned to eliminate duplicates Z: 9 4.781 1.579 0.199 0.464 0.750 0.625 CB 1.235 7 residues pruned to eliminate duplicates Z: 34 20.032 2.020 0.593 0.402 0.848 0.606 CB 1.417 34 residues pruned to eliminate duplicates Z: 8 3.140 1.552 0.110 0.239 0.857 0.714 CA 1.087 7 residues pruned to eliminate duplicates Z: 16 5.271 1.715 0.278 0.194 0.800 0.467 CB 1.118 Z: 13 9.033 1.879 0.597 0.313 0.750 0.500 CB 1.426 13 residues pruned to eliminate duplicates Z: 13 4.405 1.543 0.100 0.246 0.833 0.250 N 1.206 22 residues pruned to eliminate duplicates Z: 13 11.357 1.900 0.339 0.509 0.917 0.667 CB 1.394 Z: 27 30.023 2.080 0.688 0.642 0.962 0.808 CA 1.527 27 residues pruned to eliminate duplicates Z: 53 39.239 2.126 0.723 0.569 0.923 0.615 CB 1.505 53 residues pruned to eliminate duplicates Z: 11 14.415 1.938 0.597 0.659 1.000 0.800 CB 1.270 7 residues pruned to eliminate duplicates Z: 12 5.166 1.644 0.233 0.432 0.818 0.636 CA 1.008 6 residues pruned to eliminate duplicates Z: 23 19.173 2.092 0.634 0.454 0.909 0.545 CB 1.379 23 residues pruned to eliminate duplicates Z: 16 12.632 1.748 0.716 0.473 0.867 0.667 CB 1.290 16 residues pruned to eliminate duplicates 7 1.777 1.260 0.248 0.362 1.000 0.500 O 0.535 ? Z: 21 30.977 2.010 0.711 0.905 1.000 0.800 CB 1.433 21 residues pruned to eliminate duplicates Z: 8 4.191 1.600 0.275 0.337 0.857 0.714 N 1.083 Z: 13 8.808 1.949 0.384 0.378 0.917 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 12 9.954 1.779 0.134 0.543 1.000 0.364 CB 1.426 12 residues pruned to eliminate duplicates Z: 18 23.578 1.968 0.750 0.847 0.882 0.647 CB 1.397 18 residues pruned to eliminate duplicates Z: 25 15.950 2.001 0.355 0.417 0.875 0.542 CA 1.498 25 residues pruned to eliminate duplicates Z: 11 14.018 1.700 0.611 0.879 1.000 0.600 CA 1.174 11 residues pruned to eliminate duplicates Z: 6 2.847 1.477 0.461 0.360 0.800 0.400 CA 0.858 6 residues pruned to eliminate duplicates Z: 8 11.144 1.855 0.588 0.820 0.857 0.429 CA 1.263 8 residues pruned to eliminate duplicates Z: 21 20.730 2.175 0.856 0.376 0.850 0.500 CB 1.543 21 residues pruned to eliminate duplicates Z: 6 3.597 1.710 0.274 0.601 0.600 0.600 N 1.118 Z: 6 3.019 1.719 -0.252 0.612 0.800 0.400 C 1.180 Z: 6 6.046 1.803 -0.140 0.694 1.000 0.800 CB 1.461 Z: 21 13.777 2.100 0.526 0.297 0.850 0.500 CA 1.419 21 residues pruned to eliminate duplicates Z: 73 41.173 2.135 0.620 0.546 0.931 0.528 CB 1.442 73 residues pruned to eliminate duplicates Z: 7 2.680 1.330 0.505 0.427 1.000 0.833 N 0.590 Z: 40 27.636 2.042 0.503 0.632 0.897 0.564 CA 1.419 40 residues pruned to eliminate duplicates Z: 10 4.878 1.831 0.134 0.550 0.778 0.556 CB 0.959 10 residues pruned to eliminate duplicates Z: 24 15.809 1.858 0.365 0.490 0.913 0.652 CA 1.437 26 residues pruned to eliminate duplicates Z: 7 2.202 1.522 -0.156 0.389 0.667 0.333 N 1.181 Z: 16 11.369 1.948 0.293 0.541 0.867 0.533 CA 1.292 16 residues pruned to eliminate duplicates Z: 10 15.585 1.947 0.775 0.864 0.889 0.333 CB 1.240 Z: 21 15.350 2.139 0.446 0.375 0.800 0.550 CB 1.585 21 residues pruned to eliminate duplicates Z: 14 13.167 1.827 0.473 0.476 1.000 0.692 CA 1.391 14 residues pruned to eliminate duplicates Z: 42 22.443 2.013 0.320 0.500 0.927 0.610 CA 1.422 42 residues pruned to eliminate duplicates Z: 9 3.334 1.463 0.220 0.346 0.875 0.375 CB 0.892 9 residues pruned to eliminate duplicates Z: 15 7.127 1.720 0.077 0.445 0.929 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 28 10.133 1.787 0.183 0.388 0.926 0.593 CA 1.122 28 residues pruned to eliminate duplicates Z: 25 21.667 1.976 0.314 0.685 0.958 0.792 CB 1.500 25 residues pruned to eliminate duplicates Z: 14 28.660 2.087 0.749 0.860 1.000 0.846 CA 1.602 14 residues pruned to eliminate duplicates Z: 13 8.244 1.838 0.050 0.435 1.000 0.667 CA 1.318 13 residues pruned to eliminate duplicates Z: 16 18.649 2.049 0.379 0.854 1.000 0.733 CB 1.258 16 residues pruned to eliminate duplicates Z: 27 16.804 2.029 0.425 0.362 0.885 0.500 CB 1.494 27 residues pruned to eliminate duplicates Z: 23 12.225 1.891 0.175 0.467 0.909 0.636 CA 1.334 23 residues pruned to eliminate duplicates Z: 8 16.819 2.153 0.308 0.825 1.000 0.429 CA 1.704 8 residues pruned to eliminate duplicates Z: 19 10.663 1.791 0.367 0.477 0.889 0.444 CB 1.181 19 residues pruned to eliminate duplicates Z: 6 5.780 1.959 0.202 0.236 1.000 0.000 CB 1.491 6 residues pruned to eliminate duplicates Z: 28 24.126 2.152 0.790 0.407 0.889 0.333 CB 1.495 30 residues pruned to eliminate duplicates Z: 11 3.864 1.509 0.066 0.421 1.000 0.700 N 0.825 Z: 42 19.660 1.960 0.520 0.368 0.854 0.488 CB 1.391 42 residues pruned to eliminate duplicates Z: 11 13.345 1.766 0.617 0.902 1.000 0.500 CA 1.054 11 residues pruned to eliminate duplicates Z: 65 35.667 2.002 0.545 0.582 0.953 0.609 CA 1.397 61 residues pruned to eliminate duplicates Z: 6 3.662 1.474 0.453 0.544 0.800 0.600 N 0.915 6 residues pruned to eliminate duplicates Z: 65 42.561 2.079 0.619 0.575 0.969 0.594 CA 1.517 65 residues pruned to eliminate duplicates Z: 11 12.702 1.756 0.819 0.825 0.900 0.700 CA 1.054 11 residues pruned to eliminate duplicates Z: 8 4.255 1.561 0.586 0.411 0.714 0.429 N 0.999 Z: 10 6.302 2.081 0.336 0.318 0.778 0.556 CA 1.188 10 residues pruned to eliminate duplicates Z: 14 19.285 2.057 0.635 0.836 0.923 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 26 13.573 1.958 0.410 0.411 0.840 0.560 CA 1.285 26 residues pruned to eliminate duplicates Z: 9 4.002 1.385 0.354 0.404 0.875 0.625 CA 0.953 6 residues pruned to eliminate duplicates Z: 13 10.618 2.011 0.431 0.511 0.750 0.583 CA 1.405 13 residues pruned to eliminate duplicates Z: 13 5.638 1.727 0.165 0.361 0.750 0.500 N 1.252 12 residues pruned to eliminate duplicates Z: 25 13.034 1.924 0.286 0.416 0.917 0.625 CA 1.280 25 residues pruned to eliminate duplicates Z: 17 7.379 1.784 0.272 0.327 0.750 0.375 CB 1.311 17 residues pruned to eliminate duplicates Z: 6 2.789 1.484 -0.166 0.543 0.800 0.800 CB 1.209 Z: 8 5.229 1.949 -0.062 0.403 1.000 0.429 CB 1.196 8 residues pruned to eliminate duplicates Z: 27 12.133 1.911 0.301 0.372 0.923 0.500 CB 1.189 27 residues pruned to eliminate duplicates 6 1.849 1.710 0.192 0.300 0.800 0.400 CB 0.634 ? Z: 7 6.339 1.741 0.494 0.462 0.833 0.500 CB 1.241 5 residues pruned to eliminate duplicates Z: 6 2.754 1.400 0.331 0.676 0.800 0.800 CB 0.702 Z: 12 11.600 1.805 0.785 0.531 0.818 0.545 N 1.287 12 residues pruned to eliminate duplicates Z: 20 13.191 2.043 0.230 0.411 0.947 0.421 CA 1.396 20 residues pruned to eliminate duplicates Z: 11 5.446 1.676 0.407 0.334 0.800 0.400 CB 1.094 11 residues pruned to eliminate duplicates Z: 28 16.505 1.866 0.528 0.519 0.852 0.519 CA 1.283 28 residues pruned to eliminate duplicates Z: 68 36.259 2.032 0.458 0.592 0.940 0.552 CA 1.456 68 residues pruned to eliminate duplicates Z: 30 20.266 2.034 0.593 0.425 0.862 0.586 CA 1.458 30 residues pruned to eliminate duplicates Z: 7 2.861 1.655 0.570 0.249 0.500 0.333 CB 1.199 7 residues pruned to eliminate duplicates Z: 46 21.000 1.958 0.330 0.443 0.911 0.578 CB 1.399 46 residues pruned to eliminate duplicates Z: 8 8.076 1.525 0.795 0.774 1.000 0.571 N 0.875 Z: 6 3.188 1.515 0.396 0.494 0.800 0.800 CB 0.848 5 residues pruned to eliminate duplicates Z: 8 4.931 1.515 0.161 0.534 1.000 0.857 CA 1.025 8 residues pruned to eliminate duplicates Z: 13 15.332 2.019 0.457 0.570 1.000 0.583 CA 1.406 13 residues pruned to eliminate duplicates Z: 20 31.379 2.183 0.783 0.892 0.895 0.632 CB 1.485 20 residues pruned to eliminate duplicates Z: 22 23.404 1.901 0.696 0.863 0.952 0.762 CA 1.220 22 residues pruned to eliminate duplicates Z: 7 7.056 1.925 0.094 0.577 1.000 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 18 13.454 1.929 0.547 0.502 0.941 0.824 CB 1.160 18 residues pruned to eliminate duplicates Z: 24 13.125 1.836 0.284 0.401 1.000 0.609 CA 1.288 25 residues pruned to eliminate duplicates Z: 16 14.212 1.996 0.374 0.489 0.933 0.667 CA 1.451 16 residues pruned to eliminate duplicates Z: 21 11.221 1.781 0.071 0.615 0.950 0.750 CA 1.242 21 residues pruned to eliminate duplicates Z: 12 8.622 2.046 0.093 0.294 0.909 0.545 CB 1.610 12 residues pruned to eliminate duplicates Z: 10 3.030 1.688 0.205 0.193 0.667 0.444 CB 1.075 10 residues pruned to eliminate duplicates Z: 29 18.957 2.086 0.294 0.479 0.929 0.536 CA 1.460 29 residues pruned to eliminate duplicates Z: 63 33.224 2.062 0.521 0.524 0.887 0.452 CA 1.482 56 residues pruned to eliminate duplicates Z: 9 3.093 1.558 0.483 0.295 0.875 0.625 CB 0.680 Z: 20 34.934 2.240 1.010 0.887 0.842 0.474 CB 1.524 20 residues pruned to eliminate duplicates Z: 9 6.988 1.601 0.399 0.693 1.000 0.625 N 0.925 11 residues pruned to eliminate duplicates Z: 19 32.625 2.141 0.823 0.787 0.944 0.667 CB 1.622 19 residues pruned to eliminate duplicates Z: 8 3.797 1.419 0.220 0.496 1.000 0.571 CB 0.833 Z: 20 9.248 1.755 0.419 0.468 0.842 0.579 CA 1.046 18 residues pruned to eliminate duplicates 6 1.957 1.140 0.366 0.369 1.000 0.400 CB 0.647 ? Z: 26 14.619 1.874 0.312 0.413 0.960 0.720 CB 1.357 25 residues pruned to eliminate duplicates Z: 8 2.870 1.149 0.507 0.416 0.714 0.571 N 0.957 Z: 54 24.000 1.928 0.449 0.449 0.906 0.528 CB 1.372 54 residues pruned to eliminate duplicates Z: 6 4.505 1.298 0.565 0.556 1.000 0.800 CB 0.939 Z: 11 15.937 2.103 0.692 0.808 0.900 0.600 CB 1.203 11 residues pruned to eliminate duplicates Z: 8 9.988 1.955 0.231 0.534 1.000 0.714 CA 1.517 8 residues pruned to eliminate duplicates Z: 7 4.067 1.495 0.544 0.239 1.000 0.500 CB 0.974 Z: 6 2.116 1.063 0.977 0.466 1.000 0.400 CB 0.466 Z: 9 6.484 1.846 0.242 0.511 0.750 0.500 CB 1.319 Z: 6 4.257 1.542 0.154 0.546 1.000 0.800 CB 1.023 6 1.721 1.617 0.302 0.324 0.800 0.400 CB 0.554 ? Z: 9 3.408 1.648 -0.044 0.477 0.750 0.375 C 1.044 Z: 11 7.543 1.818 0.624 0.357 0.800 0.500 CB 1.177 11 residues pruned to eliminate duplicates Z: 25 21.774 2.029 0.658 0.534 0.917 0.500 CB 1.394 25 residues pruned to eliminate duplicates Z: 8 7.020 1.951 0.830 0.208 1.000 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 11 11.807 1.701 0.437 0.919 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 7 2.841 1.518 0.211 0.249 1.000 0.667 C 0.843 7 1.735 1.405 0.100 0.297 0.667 0.333 CB 0.863 ? Z: 23 12.246 2.046 0.448 0.351 0.727 0.409 CA 1.423 23 residues pruned to eliminate duplicates Z: 7 6.846 1.568 1.038 0.651 0.833 0.833 CB 0.912 7 residues pruned to eliminate duplicates Z: 14 12.042 2.030 0.444 0.444 1.000 0.615 CA 1.208 14 residues pruned to eliminate duplicates Z: 13 10.211 1.745 0.289 0.560 0.917 0.500 CA 1.349 Z: 19 23.687 2.039 0.347 0.933 1.000 0.833 CB 1.419 19 residues pruned to eliminate duplicates Z: 15 14.730 2.087 0.037 0.869 0.929 0.929 CB 1.431 15 residues pruned to eliminate duplicates Z: 13 13.370 1.849 0.358 0.808 1.000 0.667 CA 1.175 13 residues pruned to eliminate duplicates Z: 6 2.048 1.392 0.311 0.297 0.800 0.400 CB 0.788 5 residues pruned to eliminate duplicates 6 1.308 1.590 0.282 0.289 0.600 0.600 CB 0.606 ? Z: 22 9.677 1.659 0.516 0.352 0.810 0.571 CA 1.217 17 residues pruned to eliminate duplicates Z: 6 2.020 1.490 0.424 0.112 0.600 0.400 O 1.159 Z: 7 3.047 1.449 -0.096 0.631 0.833 0.667 CB 1.008 8 residues pruned to eliminate duplicates Z: 13 15.016 1.975 0.457 0.559 0.917 0.667 CA 1.551 13 residues pruned to eliminate duplicates Z: 22 30.040 2.259 0.761 0.621 0.952 0.524 CA 1.545 22 residues pruned to eliminate duplicates Z: 12 15.608 1.987 0.672 0.560 0.909 0.727 CB 1.471 12 residues pruned to eliminate duplicates Z: 54 19.223 1.955 0.422 0.327 0.792 0.472 CB 1.449 54 residues pruned to eliminate duplicates Z: 12 7.768 1.810 0.251 0.459 0.818 0.545 CA 1.318 12 residues pruned to eliminate duplicates 6 1.955 1.534 0.201 0.342 0.600 0.400 CB 0.939 ? Z: 13 6.748 1.647 0.268 0.514 0.833 0.583 CA 1.104 11 residues pruned to eliminate duplicates Z: 15 11.890 1.766 0.345 0.507 1.000 0.571 CB 1.329 15 residues pruned to eliminate duplicates Z: 20 14.993 1.995 0.267 0.595 0.895 0.684 CB 1.389 20 residues pruned to eliminate duplicates Z: 16 17.780 2.202 0.714 0.328 0.933 0.533 CB 1.574 16 residues pruned to eliminate duplicates Z: 16 9.091 1.851 0.136 0.512 0.933 0.667 CA 1.182 16 residues pruned to eliminate duplicates Z: 8 4.996 1.412 0.225 0.627 0.857 0.571 O 1.129 Z: 18 8.419 1.990 0.121 0.485 0.824 0.529 CB 1.129 18 residues pruned to eliminate duplicates Z: 12 9.964 1.827 0.424 0.461 0.818 0.727 CA 1.469 12 residues pruned to eliminate duplicates Z: 6 2.196 1.298 0.161 0.455 0.800 0.400 N 0.853 6 residues pruned to eliminate duplicates Z: 63 24.595 1.954 0.383 0.401 0.919 0.548 CB 1.396 63 residues pruned to eliminate duplicates Z: 8 3.908 1.823 0.085 0.243 0.857 0.286 CA 1.173 8 residues pruned to eliminate duplicates Z: 10 13.302 2.051 0.346 0.733 1.000 0.778 CB 1.303 10 residues pruned to eliminate duplicates Z: 57 46.114 2.206 0.734 0.611 0.964 0.625 CA 1.504 57 residues pruned to eliminate duplicates Z: 6 2.715 1.182 0.408 0.466 0.800 0.400 O 0.944 Z: 12 11.975 2.014 0.478 0.457 0.909 0.727 CA 1.394 12 residues pruned to eliminate duplicates Z: 13 5.825 1.484 0.317 0.326 0.917 0.417 N 1.136 13 residues pruned to eliminate duplicates Z: 16 13.419 1.887 0.506 0.451 0.800 0.467 CA 1.602 16 residues pruned to eliminate duplicates Z: 6 3.799 1.557 0.254 0.253 1.000 0.400 CB 1.156 Z: 16 9.512 2.001 0.044 0.365 0.933 0.600 CB 1.456 16 residues pruned to eliminate duplicates Z: 6 5.778 1.278 0.566 0.771 1.000 0.600 C 1.016 Z: 33 14.134 1.875 0.366 0.365 0.844 0.406 CB 1.336 34 residues pruned to eliminate duplicates Z: 21 8.856 1.797 0.102 0.409 1.000 0.450 CB 1.101 21 residues pruned to eliminate duplicates Z: 46 37.084 2.124 0.735 0.647 0.889 0.511 CA 1.472 46 residues pruned to eliminate duplicates Z: 18 10.640 1.592 0.728 0.404 0.882 0.529 CB 1.176 18 residues pruned to eliminate duplicates Z: 7 2.559 1.641 0.478 0.161 0.500 0.167 C 1.304 7 residues pruned to eliminate duplicates Z: 8 3.200 1.341 0.345 0.318 0.857 0.571 N 0.957 Z: 67 49.232 2.196 0.859 0.569 0.924 0.500 CB 1.503 67 residues pruned to eliminate duplicates Z: 6 3.741 1.400 0.334 0.432 0.800 0.400 CB 1.201 Z: 18 11.036 1.883 0.553 0.378 0.706 0.412 CA 1.477 18 residues pruned to eliminate duplicates Z: 7 3.697 1.430 0.243 0.403 1.000 0.667 CA 0.941 Z: 20 14.694 2.029 0.258 0.494 0.895 0.368 CA 1.485 20 residues pruned to eliminate duplicates Z: 19 20.131 2.033 0.272 0.814 0.944 0.889 CA 1.479 19 residues pruned to eliminate duplicates Z: 80 34.241 1.959 0.586 0.466 0.886 0.506 CA 1.449 124 residues pruned to eliminate duplicates Z: 30 37.045 2.238 0.569 0.739 1.000 0.793 CA 1.581 30 residues pruned to eliminate duplicates Z: 9 8.828 1.680 0.177 0.839 1.000 0.750 CA 1.180 9 residues pruned to eliminate duplicates Z: 9 6.014 1.486 0.890 0.280 0.875 0.500 O 1.109 Z: 7 7.832 1.681 1.200 0.799 0.833 0.500 CB 0.799 7 residues pruned to eliminate duplicates Z: 19 11.615 1.977 0.307 0.460 0.833 0.611 CB 1.324 19 residues pruned to eliminate duplicates Z: 7 5.751 1.619 0.247 0.621 0.833 0.667 CB 1.245 8 residues pruned to eliminate duplicates Z: 84 35.781 2.055 0.512 0.459 0.855 0.578 CA 1.540 84 residues pruned to eliminate duplicates Z: 50 34.701 2.066 0.693 0.632 0.918 0.592 CA 1.363 50 residues pruned to eliminate duplicates Z: 19 17.755 1.977 0.658 0.537 0.944 0.611 CA 1.303 19 residues pruned to eliminate duplicates Z: 12 7.051 1.679 0.131 0.345 0.909 0.636 CA 1.457 Z: 6 2.766 1.336 -0.043 0.462 1.000 0.200 CA 1.006 Z: 26 13.323 1.893 0.226 0.412 0.960 0.640 CA 1.311 26 residues pruned to eliminate duplicates 6 1.580 1.642 0.168 0.100 0.800 0.200 CA 0.768 ? Z: 10 11.313 1.722 0.464 0.643 1.000 0.778 CA 1.309 17 residues pruned to eliminate duplicates Z: 11 3.134 1.557 0.387 0.513 0.900 0.700 CB 0.504 Z: 19 35.390 2.101 0.979 0.927 1.000 0.611 CB 1.406 19 residues pruned to eliminate duplicates Z: 8 5.322 1.328 0.851 0.507 1.000 0.857 CB 0.813 Z: 9 2.759 1.734 0.143 0.207 0.625 0.500 CB 1.115 9 residues pruned to eliminate duplicates Z: 15 7.653 1.767 0.160 0.456 0.929 0.786 CB 1.124 15 residues pruned to eliminate duplicates Z: 19 12.288 1.961 0.620 0.358 0.889 0.333 CA 1.196 19 residues pruned to eliminate duplicates Z: 48 28.334 2.094 0.601 0.444 0.894 0.426 CB 1.462 48 residues pruned to eliminate duplicates Z: 6 3.326 1.401 0.242 0.491 0.800 0.400 CA 1.078 Z: 25 16.195 1.973 0.791 0.256 0.917 0.500 CA 1.349 25 residues pruned to eliminate duplicates Z: 11 2.295 1.233 0.439 0.398 0.700 0.300 CA 0.652 Using tripeptides from previous cycle as seeds Z: 9 7.996 1.645 0.507 0.533 0.875 0.750 CB 1.262 9 residues pruned to eliminate duplicates Z: 9 3.412 1.114 0.505 0.553 1.000 0.750 CB 0.683 9 residues pruned to eliminate duplicates Z: 6 9.320 1.908 0.299 0.667 1.000 1.000 CA 1.441 6 residues pruned to eliminate duplicates Z: 6 10.640 1.860 0.651 0.653 1.000 0.800 CA 1.343 6 residues pruned to eliminate duplicates Z: 11 7.507 1.887 0.543 0.385 0.700 0.400 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 5.484 1.631 0.403 0.356 0.727 0.455 N 1.161 12 residues pruned to eliminate duplicates Z: 9 11.966 2.058 0.442 0.535 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 6 3.304 1.715 0.172 0.317 0.600 0.400 CA 1.500 Z: 6 2.489 1.257 0.449 0.489 0.800 0.600 CA 0.772 Z: 7 6.500 1.825 0.475 0.521 1.000 0.833 CA 0.965 Z: 15 10.033 2.079 0.471 0.330 0.857 0.500 CA 1.233 13 residues pruned to eliminate duplicates Z: 6 5.947 1.565 0.261 0.862 1.000 0.600 CB 0.989 5 residues pruned to eliminate duplicates Z: 7 7.150 1.817 0.167 0.606 1.000 0.167 CB 1.245 7 residues pruned to eliminate duplicates Z: 7 6.081 1.907 0.076 0.623 0.833 0.500 CA 1.293 7 residues pruned to eliminate duplicates Z: 6 5.585 1.772 0.309 0.508 0.800 0.200 CA 1.336 6 residues pruned to eliminate duplicates Z: 20 8.221 1.710 0.464 0.451 0.895 0.684 CB 0.885 20 residues pruned to eliminate duplicates Z: 17 9.326 1.815 0.218 0.396 0.938 0.562 CB 1.255 17 residues pruned to eliminate duplicates Z: 14 13.400 1.751 0.724 0.515 0.923 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 17 9.046 1.758 0.459 0.477 0.812 0.500 CB 1.111 17 residues pruned to eliminate duplicates Z: 21 11.244 1.751 0.418 0.452 0.850 0.450 CB 1.252 21 residues pruned to eliminate duplicates Z: 19 10.990 1.782 0.250 0.453 0.944 0.444 CB 1.292 19 residues pruned to eliminate duplicates Z: 17 10.348 1.810 0.248 0.467 0.938 0.625 CB 1.264 17 residues pruned to eliminate duplicates Z: 11 7.368 1.647 0.523 0.591 0.900 0.700 CB 0.946 11 residues pruned to eliminate duplicates Z: 17 8.252 1.769 0.174 0.465 0.875 0.562 CB 1.176 17 residues pruned to eliminate duplicates Z: 62 25.739 1.993 0.343 0.440 0.918 0.508 CB 1.426 62 residues pruned to eliminate duplicates Z: 8 5.974 1.895 0.372 0.302 0.857 0.571 CB 1.264 8 residues pruned to eliminate duplicates Z: 6 5.571 1.835 0.433 0.531 1.000 0.200 CA 0.919 6 residues pruned to eliminate duplicates Z: 8 5.702 1.850 0.278 0.255 1.000 0.143 CB 1.207 8 residues pruned to eliminate duplicates Z: 9 5.415 1.728 0.454 0.263 0.875 0.500 CB 1.142 9 residues pruned to eliminate duplicates Z: 60 27.344 2.002 0.388 0.445 0.932 0.576 CB 1.455 60 residues pruned to eliminate duplicates Z: 65 24.287 1.956 0.382 0.389 0.906 0.516 CA 1.394 65 residues pruned to eliminate duplicates Z: 13 4.880 1.714 0.392 0.300 0.667 0.500 CA 1.107 13 residues pruned to eliminate duplicates Z: 15 3.350 1.649 0.315 0.136 0.714 0.286 CB 0.909 15 residues pruned to eliminate duplicates Z: 53 26.399 2.027 0.374 0.470 0.942 0.519 CB 1.438 53 residues pruned to eliminate duplicates Z: 42 20.862 1.942 0.360 0.433 0.927 0.634 CB 1.426 42 residues pruned to eliminate duplicates Z: 50 25.259 2.001 0.358 0.488 0.959 0.592 CB 1.401 50 residues pruned to eliminate duplicates Z: 13 8.006 1.947 0.252 0.432 0.750 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 54 25.189 2.006 0.358 0.467 0.906 0.623 CB 1.450 54 residues pruned to eliminate duplicates Z: 55 24.443 1.987 0.355 0.459 0.907 0.574 CB 1.420 55 residues pruned to eliminate duplicates Z: 62 25.038 1.986 0.355 0.428 0.902 0.475 CB 1.423 62 residues pruned to eliminate duplicates Z: 59 24.690 1.970 0.338 0.437 0.931 0.552 CB 1.410 59 residues pruned to eliminate duplicates Z: 62 25.391 2.006 0.327 0.444 0.918 0.525 CB 1.410 62 residues pruned to eliminate duplicates Z: 62 26.025 1.993 0.343 0.437 0.918 0.557 CA 1.447 62 residues pruned to eliminate duplicates Z: 63 25.623 1.965 0.428 0.430 0.903 0.484 CB 1.381 63 residues pruned to eliminate duplicates Z: 58 23.852 1.984 0.347 0.403 0.912 0.596 CB 1.435 58 residues pruned to eliminate duplicates Z: 42 23.656 2.047 0.329 0.482 0.951 0.610 CA 1.453 42 residues pruned to eliminate duplicates Z: 51 23.814 1.978 0.342 0.437 0.960 0.480 CB 1.410 51 residues pruned to eliminate duplicates Z: 63 26.545 1.966 0.419 0.441 0.919 0.613 CB 1.397 69 residues pruned to eliminate duplicates Z: 10 7.051 1.561 0.684 0.429 0.778 0.444 CA 1.238 10 residues pruned to eliminate duplicates Z: 59 26.021 2.012 0.354 0.435 0.931 0.517 CB 1.441 59 residues pruned to eliminate duplicates Z: 52 26.994 2.039 0.337 0.475 0.941 0.529 CA 1.511 52 residues pruned to eliminate duplicates Z: 44 24.759 1.996 0.440 0.472 0.930 0.628 CB 1.454 44 residues pruned to eliminate duplicates Z: 7 6.818 1.835 0.568 0.502 0.833 0.667 CA 1.158 7 residues pruned to eliminate duplicates Z: 62 26.474 2.011 0.385 0.401 0.951 0.475 CB 1.421 62 residues pruned to eliminate duplicates Z: 6 4.610 2.022 0.246 0.442 0.800 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 49 22.560 1.955 0.331 0.411 0.938 0.521 CA 1.466 49 residues pruned to eliminate duplicates Z: 52 25.943 2.043 0.356 0.466 0.922 0.549 CB 1.473 52 residues pruned to eliminate duplicates Z: 62 26.105 2.002 0.388 0.405 0.902 0.508 CB 1.475 62 residues pruned to eliminate duplicates Z: 27 19.620 2.079 0.267 0.562 0.962 0.615 CB 1.431 27 residues pruned to eliminate duplicates Z: 62 26.135 1.991 0.406 0.418 0.918 0.541 CB 1.419 62 residues pruned to eliminate duplicates Z: 59 25.434 1.991 0.290 0.472 0.948 0.586 CA 1.410 59 residues pruned to eliminate duplicates Z: 63 24.037 1.980 0.330 0.413 0.919 0.565 CB 1.380 63 residues pruned to eliminate duplicates Z: 61 24.781 2.000 0.355 0.420 0.883 0.533 CA 1.452 61 residues pruned to eliminate duplicates Z: 62 25.573 1.972 0.408 0.440 0.934 0.525 CB 1.343 62 residues pruned to eliminate duplicates Z: 29 19.669 2.043 0.349 0.490 0.929 0.429 CA 1.467 29 residues pruned to eliminate duplicates Z: 62 26.283 1.981 0.389 0.426 0.934 0.475 CA 1.414 62 residues pruned to eliminate duplicates Z: 63 25.786 1.967 0.424 0.418 0.903 0.597 CB 1.410 63 residues pruned to eliminate duplicates Z: 61 26.211 2.007 0.359 0.441 0.933 0.533 CB 1.412 61 residues pruned to eliminate duplicates Z: 28 17.859 2.070 0.190 0.510 0.963 0.593 CA 1.433 28 residues pruned to eliminate duplicates Z: 61 26.521 2.004 0.342 0.467 0.933 0.550 CB 1.410 61 residues pruned to eliminate duplicates Z: 54 25.143 2.003 0.375 0.488 0.887 0.585 CA 1.431 54 residues pruned to eliminate duplicates Z: 10 14.621 2.109 0.468 0.654 1.000 0.778 CA 1.364 10 residues pruned to eliminate duplicates Z: 54 23.385 1.996 0.329 0.466 0.887 0.585 CB 1.414 54 residues pruned to eliminate duplicates Z: 40 23.081 1.974 0.385 0.488 0.949 0.538 CA 1.442 40 residues pruned to eliminate duplicates Z: 40 24.530 2.025 0.401 0.496 0.974 0.641 CB 1.427 40 residues pruned to eliminate duplicates Z: 55 26.585 2.009 0.393 0.441 0.963 0.556 CB 1.426 55 residues pruned to eliminate duplicates Z: 13 16.240 2.030 0.825 0.562 0.833 0.500 CA 1.431 13 residues pruned to eliminate duplicates Z: 14 13.982 2.005 0.733 0.578 0.923 0.538 CB 1.122 14 residues pruned to eliminate duplicates Z: 13 14.161 2.048 0.534 0.538 0.917 0.583 CB 1.367 13 residues pruned to eliminate duplicates Z: 14 16.572 2.110 0.552 0.599 0.923 0.615 CB 1.383 14 residues pruned to eliminate duplicates Z: 8 3.581 1.882 0.167 0.125 0.857 0.429 CB 1.150 Z: 6 2.868 1.478 0.031 0.548 0.800 0.600 CB 1.004 6 residues pruned to eliminate duplicates Z: 7 2.409 1.614 0.294 0.107 0.667 0.167 CB 1.164 7 residues pruned to eliminate duplicates Z: 11 2.975 1.604 0.128 0.134 0.700 0.200 CB 1.171 9 residues pruned to eliminate duplicates Z: 6 3.001 1.518 0.397 0.219 0.800 0.400 CA 1.100 5 residues pruned to eliminate duplicates Z: 6 3.020 1.384 0.747 0.324 0.800 0.400 CA 0.848 6 residues pruned to eliminate duplicates Z: 14 10.748 1.990 0.387 0.440 0.846 0.538 CA 1.359 15 residues pruned to eliminate duplicates Z: 7 5.414 1.578 0.445 0.360 0.833 0.500 N 1.352 7 residues pruned to eliminate duplicates Z: 14 11.280 1.997 0.342 0.441 0.846 0.615 CA 1.465 14 residues pruned to eliminate duplicates Z: 18 9.735 1.895 0.225 0.352 0.882 0.353 CA 1.353 18 residues pruned to eliminate duplicates Z: 14 10.191 2.018 0.215 0.439 0.923 0.538 CA 1.330 14 residues pruned to eliminate duplicates Z: 20 9.432 1.894 0.199 0.397 0.842 0.368 CA 1.261 14 residues pruned to eliminate duplicates Z: 6 3.635 1.910 -0.266 0.451 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 17 9.806 1.930 0.321 0.344 0.812 0.500 CA 1.402 17 residues pruned to eliminate duplicates Z: 15 9.370 1.963 0.338 0.399 0.786 0.429 CA 1.349 15 residues pruned to eliminate duplicates Z: 10 3.935 1.703 0.244 0.129 0.889 0.333 CA 1.108 10 residues pruned to eliminate duplicates Z: 15 11.267 1.972 0.338 0.390 0.929 0.429 CA 1.381 15 residues pruned to eliminate duplicates Z: 7 4.318 1.562 0.205 0.492 1.000 0.667 CA 0.944 6 residues pruned to eliminate duplicates Z: 7 4.863 1.671 0.212 0.508 0.833 0.667 CA 1.166 7 residues pruned to eliminate duplicates Z: 6 3.496 1.419 0.329 0.356 1.000 0.400 O 0.969 5 residues pruned to eliminate duplicates Z: 7 7.479 1.790 0.502 0.645 1.000 0.500 CB 0.992 8 residues pruned to eliminate duplicates Z: 8 3.316 1.685 0.216 0.400 0.714 0.143 CB 0.952 8 residues pruned to eliminate duplicates Z: 7 4.688 1.792 0.480 0.480 0.833 0.500 CB 0.884 7 residues pruned to eliminate duplicates Z: 6 6.012 1.877 0.498 0.645 1.000 0.200 CA 0.834 6 residues pruned to eliminate duplicates Z: 12 8.672 1.823 0.566 0.482 0.909 0.364 CB 1.026 15 residues pruned to eliminate duplicates Z: 7 5.533 1.852 0.523 0.490 1.000 0.500 CA 0.809 7 residues pruned to eliminate duplicates Z: 11 6.027 1.813 0.321 0.402 0.900 0.300 CB 0.980 11 residues pruned to eliminate duplicates Z: 10 3.828 1.787 0.229 0.363 0.667 0.333 CA 1.010 10 residues pruned to eliminate duplicates Z: 12 8.466 1.762 0.344 0.468 0.909 0.455 CA 1.224 13 residues pruned to eliminate duplicates Z: 13 6.703 1.952 0.464 0.157 0.833 0.333 CA 1.238 13 residues pruned to eliminate duplicates Z: 16 6.628 1.758 0.621 0.198 0.867 0.400 CB 0.992 16 residues pruned to eliminate duplicates Z: 14 10.002 1.813 0.569 0.404 0.846 0.385 CA 1.275 14 residues pruned to eliminate duplicates Z: 11 6.054 1.662 0.125 0.466 0.900 0.500 CB 1.177 11 residues pruned to eliminate duplicates Z: 13 7.803 1.904 0.236 0.336 0.833 0.333 CB 1.374 13 residues pruned to eliminate duplicates Z: 12 5.881 1.979 0.256 0.189 0.818 0.364 CB 1.265 12 residues pruned to eliminate duplicates Z: 24 15.137 1.834 0.498 0.535 0.913 0.565 CB 1.215 27 residues pruned to eliminate duplicates Z: 8 5.362 1.539 0.151 0.609 1.000 0.857 CB 1.031 8 residues pruned to eliminate duplicates Z: 46 17.388 1.849 0.447 0.391 0.800 0.533 CB 1.358 50 residues pruned to eliminate duplicates Z: 8 6.384 1.707 0.476 0.370 1.000 0.714 CA 1.101 8 residues pruned to eliminate duplicates Z: 29 16.919 1.927 0.656 0.357 0.857 0.536 CB 1.365 31 residues pruned to eliminate duplicates Z: 6 2.927 1.795 -0.048 0.389 1.000 0.600 CB 0.861 6 residues pruned to eliminate duplicates Z: 31 12.614 1.905 0.388 0.374 0.767 0.533 CA 1.300 31 residues pruned to eliminate duplicates Z: 21 13.028 1.940 0.517 0.340 0.900 0.600 CB 1.310 21 residues pruned to eliminate duplicates Z: 30 12.259 1.911 0.510 0.334 0.828 0.586 CB 1.144 30 residues pruned to eliminate duplicates Z: 21 10.847 1.855 0.501 0.311 0.750 0.500 CA 1.432 21 residues pruned to eliminate duplicates Z: 17 12.720 2.027 0.198 0.481 0.938 0.562 CA 1.425 17 residues pruned to eliminate duplicates Z: 33 13.089 1.865 0.392 0.403 0.875 0.438 CB 1.129 33 residues pruned to eliminate duplicates Z: 43 18.017 1.867 0.531 0.408 0.857 0.452 CB 1.250 43 residues pruned to eliminate duplicates Z: 16 11.709 2.034 0.346 0.393 0.800 0.533 CB 1.546 16 residues pruned to eliminate duplicates Z: 30 13.416 1.941 0.465 0.345 0.759 0.414 CB 1.367 30 residues pruned to eliminate duplicates Z: 18 10.634 1.900 0.415 0.405 0.765 0.412 CB 1.385 23 residues pruned to eliminate duplicates Z: 19 11.685 1.907 0.319 0.397 0.889 0.500 CB 1.373 21 residues pruned to eliminate duplicates Z: 6 2.704 1.722 0.457 0.280 0.600 0.400 CB 1.031 6 residues pruned to eliminate duplicates Z: 44 18.548 1.904 0.453 0.399 0.837 0.581 CB 1.359 43 residues pruned to eliminate duplicates Z: 6 7.098 1.879 0.511 0.447 1.000 0.600 CB 1.181 6 residues pruned to eliminate duplicates Z: 12 10.599 1.832 0.443 0.509 1.000 0.455 CB 1.198 12 residues pruned to eliminate duplicates Z: 7 2.940 1.647 0.271 0.277 0.833 0.000 CA 0.886 Z: 7 4.575 1.745 0.258 0.289 0.833 0.167 CA 1.294 7 residues pruned to eliminate duplicates Z: 16 11.590 1.991 0.373 0.464 0.867 0.667 CB 1.310 16 residues pruned to eliminate duplicates Z: 18 15.010 2.004 0.311 0.472 0.941 0.647 CB 1.515 18 residues pruned to eliminate duplicates Z: 14 14.110 2.116 0.510 0.420 0.923 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 19 13.544 2.038 0.452 0.380 0.833 0.556 CB 1.471 19 residues pruned to eliminate duplicates Z: 25 14.907 1.928 0.433 0.412 0.917 0.625 CB 1.317 25 residues pruned to eliminate duplicates Z: 17 14.529 2.080 0.351 0.551 0.938 0.688 CB 1.311 16 residues pruned to eliminate duplicates Z: 7 2.895 1.308 0.797 0.295 0.667 0.500 N 0.949 7 residues pruned to eliminate duplicates Z: 9 4.674 1.849 0.406 0.396 0.750 0.375 CB 0.946 9 residues pruned to eliminate duplicates Z: 85 45.229 2.142 0.640 0.545 0.917 0.548 CB 1.466 85 residues pruned to eliminate duplicates Z: 84 47.975 2.138 0.711 0.557 0.916 0.578 CB 1.487 84 residues pruned to eliminate duplicates Z: 74 51.371 2.209 0.662 0.567 0.973 0.575 CB 1.578 74 residues pruned to eliminate duplicates Z: 73 47.984 2.182 0.703 0.558 0.958 0.653 CB 1.501 73 residues pruned to eliminate duplicates Z: 75 46.812 2.184 0.619 0.568 0.932 0.608 CB 1.545 75 residues pruned to eliminate duplicates Z: 84 46.675 2.177 0.610 0.554 0.940 0.602 CB 1.477 84 residues pruned to eliminate duplicates Z: 77 47.935 2.170 0.674 0.552 0.961 0.592 CB 1.498 77 residues pruned to eliminate duplicates Z: 23 25.245 2.205 0.669 0.630 0.955 0.727 CA 1.356 23 residues pruned to eliminate duplicates Z: 74 47.971 2.209 0.636 0.563 0.945 0.562 CB 1.547 73 residues pruned to eliminate duplicates Z: 23 33.728 2.256 0.520 0.839 1.000 0.864 CB 1.565 23 residues pruned to eliminate duplicates Z: 73 43.118 2.196 0.538 0.539 0.944 0.542 CB 1.533 73 residues pruned to eliminate duplicates Z: 73 49.961 2.220 0.657 0.585 0.958 0.486 CB 1.539 73 residues pruned to eliminate duplicates Z: 75 47.248 2.204 0.663 0.557 0.919 0.473 CB 1.543 75 residues pruned to eliminate duplicates Z: 39 34.143 2.197 0.663 0.633 0.921 0.553 CA 1.453 39 residues pruned to eliminate duplicates Z: 55 39.999 2.224 0.576 0.584 0.944 0.481 CA 1.518 55 residues pruned to eliminate duplicates Z: 57 45.649 2.234 0.684 0.614 0.964 0.500 CA 1.510 57 residues pruned to eliminate duplicates Z: 36 37.365 2.185 0.807 0.642 0.943 0.571 CA 1.485 36 residues pruned to eliminate duplicates Z: 30 40.985 2.256 0.822 0.742 1.000 0.655 CA 1.492 30 residues pruned to eliminate duplicates Z: 51 38.640 2.080 0.856 0.582 0.900 0.560 CA 1.454 51 residues pruned to eliminate duplicates Z: 30 39.944 2.245 0.872 0.743 0.966 0.586 CA 1.470 30 residues pruned to eliminate duplicates Z: 48 33.064 2.173 0.648 0.558 0.851 0.468 CA 1.495 48 residues pruned to eliminate duplicates Z: 44 33.807 2.144 0.651 0.632 0.907 0.488 CA 1.418 44 residues pruned to eliminate duplicates Z: 58 39.570 2.138 0.717 0.618 0.877 0.456 CB 1.455 58 residues pruned to eliminate duplicates Z: 76 47.319 2.179 0.699 0.562 0.920 0.560 CB 1.511 76 residues pruned to eliminate duplicates Z: 60 44.924 2.200 0.674 0.576 0.949 0.576 CB 1.555 60 residues pruned to eliminate duplicates Z: 74 43.924 2.174 0.651 0.567 0.877 0.438 CB 1.532 74 residues pruned to eliminate duplicates Z: 40 42.386 2.160 0.981 0.635 0.974 0.590 CA 1.434 40 residues pruned to eliminate duplicates Z: 86 50.068 2.156 0.741 0.548 0.953 0.506 CB 1.449 85 residues pruned to eliminate duplicates Z: 14 29.687 2.291 1.011 0.830 0.923 0.538 CB 1.456 14 residues pruned to eliminate duplicates Z: 52 36.865 2.146 0.802 0.532 0.843 0.549 CB 1.534 52 residues pruned to eliminate duplicates Z: 40 37.153 2.193 0.797 0.638 0.872 0.513 CA 1.521 40 residues pruned to eliminate duplicates Z: 43 34.956 2.161 0.749 0.570 0.929 0.476 CB 1.436 43 residues pruned to eliminate duplicates Z: 51 39.539 2.208 0.624 0.584 0.880 0.480 CA 1.635 51 residues pruned to eliminate duplicates Z: 41 35.291 2.192 0.637 0.646 0.925 0.650 CA 1.468 41 residues pruned to eliminate duplicates Z: 48 40.545 2.157 0.720 0.620 0.979 0.574 CA 1.455 48 residues pruned to eliminate duplicates Z: 70 44.035 2.156 0.576 0.523 0.942 0.565 CB 1.619 70 residues pruned to eliminate duplicates Z: 25 21.783 2.157 0.547 0.486 0.917 0.375 CA 1.475 25 residues pruned to eliminate duplicates Z: 75 49.676 2.209 0.655 0.570 0.946 0.554 CB 1.561 84 residues pruned to eliminate duplicates Z: 13 12.675 2.056 0.202 0.775 0.917 0.500 CB 1.267 13 residues pruned to eliminate duplicates Z: 73 46.200 2.209 0.625 0.560 0.903 0.500 CB 1.585 73 residues pruned to eliminate duplicates Z: 40 28.123 2.129 0.695 0.437 0.923 0.410 CB 1.443 40 residues pruned to eliminate duplicates Z: 50 26.556 2.066 0.639 0.443 0.878 0.449 CB 1.354 50 residues pruned to eliminate duplicates Z: 66 46.224 2.179 0.729 0.550 0.954 0.462 CB 1.520 66 residues pruned to eliminate duplicates Z: 73 46.432 2.168 0.746 0.545 0.931 0.486 CB 1.486 73 residues pruned to eliminate duplicates Z: 75 49.591 2.186 0.643 0.578 0.946 0.608 CB 1.574 75 residues pruned to eliminate duplicates Z: 48 28.804 2.141 0.606 0.452 0.894 0.511 CB 1.437 48 residues pruned to eliminate duplicates Z: 7 3.866 1.561 1.362 0.227 0.667 0.500 CA 0.883 7 residues pruned to eliminate duplicates Z: 73 43.189 2.194 0.642 0.563 0.861 0.472 CB 1.544 73 residues pruned to eliminate duplicates Z: 50 42.077 2.163 0.721 0.624 0.959 0.571 CB 1.497 50 residues pruned to eliminate duplicates Z: 31 26.890 2.206 0.748 0.394 0.933 0.500 CB 1.525 31 residues pruned to eliminate duplicates Z: 34 16.909 1.994 0.550 0.299 0.879 0.455 CB 1.357 33 residues pruned to eliminate duplicates Z: 6 4.029 1.419 1.200 0.421 0.800 0.600 C 0.783 6 residues pruned to eliminate duplicates Z: 25 21.257 2.084 0.881 0.392 0.875 0.458 CB 1.419 26 residues pruned to eliminate duplicates Z: 7 4.721 1.834 0.081 0.484 1.000 0.833 CB 0.988 7 residues pruned to eliminate duplicates Z: 23 18.575 2.074 0.901 0.405 0.818 0.636 CB 1.357 22 residues pruned to eliminate duplicates Z: 12 10.510 1.723 0.826 0.595 0.818 0.727 CA 1.124 12 residues pruned to eliminate duplicates Z: 45 29.395 2.109 0.620 0.460 0.932 0.432 CB 1.450 45 residues pruned to eliminate duplicates Z: 41 27.375 2.121 0.616 0.477 0.900 0.400 CB 1.436 41 residues pruned to eliminate duplicates Z: 37 20.253 2.022 0.670 0.390 0.861 0.528 CB 1.304 37 residues pruned to eliminate duplicates Z: 12 16.785 1.713 0.925 0.848 1.000 0.727 CB 1.139 12 residues pruned to eliminate duplicates Z: 24 19.172 2.106 0.490 0.471 0.913 0.652 CB 1.437 24 residues pruned to eliminate duplicates Z: 7 17.122 2.152 0.715 0.829 1.000 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 12 15.766 1.893 0.585 0.690 0.909 0.636 CB 1.464 10 residues pruned to eliminate duplicates Z: 11 7.242 1.802 0.480 0.478 0.800 0.500 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 8.843 1.877 0.517 0.596 1.000 0.800 N 1.267 Z: 6 7.967 2.024 0.340 0.454 1.000 0.600 CA 1.377 4 residues pruned to eliminate duplicates Z: 6 3.393 1.455 0.831 0.347 0.600 0.200 N 1.121 4 residues pruned to eliminate duplicates Z: 6 2.389 1.376 0.249 0.268 0.800 0.400 CA 1.013 4 residues pruned to eliminate duplicates Z: 20 21.565 2.010 0.370 0.798 1.000 0.684 CA 1.385 20 residues pruned to eliminate duplicates Z: 45 31.991 2.050 0.532 0.656 0.955 0.614 CB 1.391 45 residues pruned to eliminate duplicates Z: 74 30.431 2.040 0.490 0.463 0.863 0.562 CB 1.410 74 residues pruned to eliminate duplicates Z: 41 34.900 2.128 0.567 0.685 0.950 0.725 CA 1.470 41 residues pruned to eliminate duplicates Z: 38 31.025 2.038 0.604 0.671 0.919 0.568 CB 1.450 38 residues pruned to eliminate duplicates Z: 36 34.106 2.059 0.594 0.731 0.971 0.514 CB 1.469 36 residues pruned to eliminate duplicates Z: 66 38.860 2.120 0.541 0.590 0.877 0.569 CA 1.543 66 residues pruned to eliminate duplicates Z: 34 29.877 2.084 0.705 0.608 0.939 0.515 CA 1.407 34 residues pruned to eliminate duplicates Z: 32 27.699 2.012 0.724 0.654 0.871 0.516 CA 1.427 32 residues pruned to eliminate duplicates Z: 39 25.627 1.983 0.631 0.581 0.868 0.474 CA 1.370 39 residues pruned to eliminate duplicates Z: 68 41.859 2.113 0.605 0.568 0.910 0.493 CA 1.550 68 residues pruned to eliminate duplicates Z: 43 34.954 2.097 0.677 0.659 0.905 0.524 CA 1.463 43 residues pruned to eliminate duplicates Z: 29 31.534 2.088 0.700 0.692 0.929 0.679 CA 1.516 29 residues pruned to eliminate duplicates Z: 37 33.511 2.083 0.770 0.658 0.944 0.500 CA 1.385 37 residues pruned to eliminate duplicates Z: 42 37.139 2.121 0.640 0.695 0.902 0.585 CA 1.546 42 residues pruned to eliminate duplicates Z: 25 28.464 2.098 0.717 0.711 0.917 0.542 CA 1.453 25 residues pruned to eliminate duplicates Z: 61 31.887 2.037 0.646 0.474 0.883 0.417 CA 1.427 61 residues pruned to eliminate duplicates Z: 42 37.826 2.111 0.624 0.684 0.951 0.561 CA 1.530 43 residues pruned to eliminate duplicates Z: 17 28.862 2.101 0.876 0.860 0.938 0.438 CA 1.435 17 residues pruned to eliminate duplicates Z: 51 38.215 2.069 0.722 0.646 0.920 0.540 CA 1.438 49 residues pruned to eliminate duplicates Z: 24 23.587 1.965 0.601 0.752 0.957 0.435 CA 1.306 24 residues pruned to eliminate duplicates Z: 46 27.792 2.004 0.572 0.556 0.911 0.556 CB 1.367 36 residues pruned to eliminate duplicates Z: 15 19.175 2.115 0.659 0.678 0.857 0.643 CB 1.446 15 residues pruned to eliminate duplicates Z: 15 18.960 2.111 0.586 0.604 1.000 0.429 CB 1.372 15 residues pruned to eliminate duplicates Z: 49 36.951 2.088 0.654 0.630 0.896 0.583 CA 1.525 49 residues pruned to eliminate duplicates Z: 21 25.878 2.101 0.729 0.631 1.000 0.550 CB 1.409 21 residues pruned to eliminate duplicates Z: 20 24.794 2.124 0.772 0.593 0.947 0.737 CB 1.459 20 residues pruned to eliminate duplicates Z: 43 33.978 2.080 0.581 0.657 0.929 0.405 CB 1.484 43 residues pruned to eliminate duplicates Z: 56 33.388 2.045 0.447 0.541 0.945 0.527 CA 1.546 56 residues pruned to eliminate duplicates Z: 16 16.917 2.047 0.514 0.582 0.933 0.267 CB 1.395 16 residues pruned to eliminate duplicates Z: 73 42.655 2.076 0.551 0.590 0.944 0.556 CA 1.516 73 residues pruned to eliminate duplicates Z: 61 36.796 2.072 0.601 0.573 0.900 0.517 CA 1.483 61 residues pruned to eliminate duplicates Z: 49 38.959 2.111 0.648 0.662 0.938 0.542 CA 1.483 49 residues pruned to eliminate duplicates Z: 37 29.554 2.098 0.589 0.483 0.944 0.444 CA 1.591 37 residues pruned to eliminate duplicates Z: 74 38.856 2.068 0.632 0.534 0.877 0.548 CA 1.486 74 residues pruned to eliminate duplicates Z: 33 17.185 1.999 0.511 0.405 0.844 0.438 CA 1.317 33 residues pruned to eliminate duplicates Z: 19 25.877 2.055 0.793 0.629 0.944 0.500 CA 1.552 19 residues pruned to eliminate duplicates Z: 73 42.951 2.105 0.633 0.561 0.931 0.556 CA 1.492 73 residues pruned to eliminate duplicates Z: 50 36.604 2.081 0.600 0.639 0.939 0.490 CA 1.468 50 residues pruned to eliminate duplicates Z: 28 19.655 2.059 0.524 0.375 0.889 0.444 CA 1.549 28 residues pruned to eliminate duplicates Z: 66 46.112 2.120 0.691 0.583 0.954 0.523 CA 1.545 66 residues pruned to eliminate duplicates Z: 74 40.907 2.080 0.562 0.537 0.932 0.479 CB 1.526 74 residues pruned to eliminate duplicates Z: 34 18.511 2.017 0.461 0.367 0.848 0.394 CB 1.487 34 residues pruned to eliminate duplicates Z: 25 18.834 2.009 0.670 0.348 0.875 0.417 CA 1.545 25 residues pruned to eliminate duplicates Z: 35 16.569 1.988 0.451 0.335 0.794 0.412 CA 1.485 35 residues pruned to eliminate duplicates Z: 45 32.162 2.115 0.592 0.492 0.932 0.455 CA 1.558 45 residues pruned to eliminate duplicates Z: 73 44.089 2.110 0.687 0.578 0.917 0.569 CA 1.477 73 residues pruned to eliminate duplicates Z: 19 18.264 2.052 0.566 0.370 1.000 0.389 CA 1.539 19 residues pruned to eliminate duplicates Z: 25 20.131 2.106 0.732 0.401 0.875 0.583 CA 1.429 25 residues pruned to eliminate duplicates Z: 25 16.193 2.069 0.422 0.379 0.875 0.375 CA 1.461 25 residues pruned to eliminate duplicates Z: 74 40.053 2.088 0.541 0.564 0.918 0.521 CA 1.491 74 residues pruned to eliminate duplicates Z: 30 21.577 2.081 0.703 0.421 0.897 0.552 CA 1.369 30 residues pruned to eliminate duplicates Z: 11 7.383 1.854 0.414 0.574 0.800 0.400 CA 1.036 11 residues pruned to eliminate duplicates Z: 21 16.344 2.102 0.417 0.458 0.900 0.500 CA 1.423 21 residues pruned to eliminate duplicates Z: 23 16.607 2.106 0.588 0.412 0.773 0.409 CA 1.502 24 residues pruned to eliminate duplicates Z: 11 10.527 1.553 0.820 0.745 1.000 0.600 CB 0.946 11 residues pruned to eliminate duplicates Z: 35 15.158 2.023 0.358 0.360 0.824 0.441 CA 1.336 31 residues pruned to eliminate duplicates Z: 9 13.258 1.920 0.380 0.850 1.000 0.750 CA 1.310 9 residues pruned to eliminate duplicates Z: 22 12.725 2.048 0.247 0.452 0.857 0.524 CA 1.334 22 residues pruned to eliminate duplicates Z: 44 33.362 2.124 0.581 0.527 1.000 0.535 CA 1.475 44 residues pruned to eliminate duplicates Z: 22 14.508 2.029 0.424 0.443 0.810 0.333 CA 1.435 25 residues pruned to eliminate duplicates Z: 13 11.750 1.762 0.468 0.699 0.917 0.417 CB 1.193 11 residues pruned to eliminate duplicates Z: 12 6.004 1.646 0.561 0.531 0.636 0.273 CA 1.074 12 residues pruned to eliminate duplicates Z: 77 37.109 2.089 0.558 0.535 0.868 0.513 CA 1.456 77 residues pruned to eliminate duplicates Z: 78 34.189 2.021 0.558 0.474 0.883 0.403 CA 1.439 78 residues pruned to eliminate duplicates Z: 6 2.864 1.752 -0.116 0.363 1.000 0.200 CB 0.959 6 residues pruned to eliminate duplicates Z: 8 2.685 1.732 0.211 0.195 0.714 0.143 CB 0.973 8 residues pruned to eliminate duplicates Z: 63 37.537 2.044 0.594 0.607 0.919 0.645 CA 1.438 35 residues pruned to eliminate duplicates Z: 10 13.485 1.841 0.753 0.862 1.000 0.667 CA 1.023 10 residues pruned to eliminate duplicates Z: 63 36.619 2.036 0.622 0.600 0.919 0.613 CA 1.393 63 residues pruned to eliminate duplicates Z: 64 37.131 2.024 0.483 0.592 1.000 0.619 CA 1.427 64 residues pruned to eliminate duplicates Z: 60 33.609 2.047 0.542 0.581 0.932 0.593 CA 1.375 60 residues pruned to eliminate duplicates Z: 47 31.055 2.045 0.639 0.484 0.957 0.565 CA 1.452 47 residues pruned to eliminate duplicates Z: 64 36.792 2.015 0.591 0.556 0.937 0.651 CA 1.461 59 residues pruned to eliminate duplicates 6 1.979 1.757 0.307 0.359 0.800 0.600 CA 0.561 ? Z: 6 4.245 1.565 1.265 0.286 0.800 0.400 CA 0.852 6 residues pruned to eliminate duplicates Z: 30 20.611 2.101 0.541 0.355 0.931 0.586 CA 1.485 30 residues pruned to eliminate duplicates Z: 44 26.735 2.046 0.623 0.434 0.953 0.535 CA 1.379 44 residues pruned to eliminate duplicates Z: 50 30.126 2.059 0.493 0.495 0.959 0.633 CA 1.467 50 residues pruned to eliminate duplicates Z: 52 33.697 2.063 0.469 0.530 0.980 0.647 CB 1.542 50 residues pruned to eliminate duplicates Z: 6 4.885 1.632 0.523 0.491 1.000 0.600 CB 0.887 Z: 62 27.121 1.913 0.616 0.474 0.852 0.475 CB 1.354 62 residues pruned to eliminate duplicates Z: 61 26.565 1.943 0.578 0.455 0.867 0.550 CA 1.352 61 residues pruned to eliminate duplicates Z: 40 24.986 2.095 0.638 0.409 0.923 0.590 CA 1.390 40 residues pruned to eliminate duplicates Z: 13 11.363 1.881 0.502 0.506 0.833 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 42 25.227 2.080 0.420 0.481 0.927 0.659 CA 1.468 42 residues pruned to eliminate duplicates Z: 43 27.630 2.090 0.484 0.504 0.929 0.690 CA 1.475 43 residues pruned to eliminate duplicates Z: 23 22.538 2.096 0.484 0.610 0.955 0.773 CA 1.458 12 residues pruned to eliminate duplicates Z: 21 18.879 1.984 0.055 0.923 1.000 0.900 CA 1.417 21 residues pruned to eliminate duplicates Z: 36 27.355 2.103 0.546 0.546 0.857 0.714 CB 1.587 36 residues pruned to eliminate duplicates Z: 29 21.731 2.019 0.302 0.697 0.964 0.786 CB 1.354 29 residues pruned to eliminate duplicates Z: 55 30.438 1.964 0.516 0.561 0.907 0.685 CA 1.444 47 residues pruned to eliminate duplicates Z: 22 25.599 2.010 0.426 0.862 0.952 0.952 CA 1.502 22 residues pruned to eliminate duplicates Z: 44 25.675 2.068 0.582 0.449 0.930 0.674 CB 1.355 44 residues pruned to eliminate duplicates Z: 14 13.418 1.996 0.478 0.623 0.846 0.769 CB 1.328 14 residues pruned to eliminate duplicates Z: 24 22.597 2.014 0.532 0.626 0.957 0.739 CB 1.419 24 residues pruned to eliminate duplicates Z: 67 30.401 1.934 0.562 0.472 0.924 0.561 CA 1.379 67 residues pruned to eliminate duplicates Z: 33 28.371 2.039 0.444 0.682 0.969 0.688 CB 1.487 33 residues pruned to eliminate duplicates Z: 53 31.818 2.056 0.561 0.483 0.923 0.615 CB 1.515 53 residues pruned to eliminate duplicates Z: 47 35.681 2.052 0.620 0.630 0.913 0.652 CB 1.535 54 residues pruned to eliminate duplicates Z: 28 20.617 1.841 0.526 0.644 0.889 0.519 CB 1.389 28 residues pruned to eliminate duplicates Z: 47 33.490 2.062 0.617 0.588 0.913 0.587 CB 1.490 47 residues pruned to eliminate duplicates Z: 45 30.608 1.995 0.561 0.692 0.955 0.682 CB 1.302 45 residues pruned to eliminate duplicates Z: 48 31.525 2.064 0.546 0.560 0.915 0.574 CB 1.487 48 residues pruned to eliminate duplicates Z: 33 33.291 2.019 0.737 0.684 0.969 0.719 CB 1.463 33 residues pruned to eliminate duplicates Z: 9 3.104 1.633 0.646 0.062 0.750 0.250 CB 0.968 9 residues pruned to eliminate duplicates Z: 30 25.265 1.950 0.668 0.667 0.897 0.517 CB 1.379 30 residues pruned to eliminate duplicates Z: 45 31.041 1.919 0.692 0.609 0.955 0.500 CB 1.361 37 residues pruned to eliminate duplicates Z: 22 34.862 2.056 0.849 0.820 1.000 0.857 CB 1.516 22 residues pruned to eliminate duplicates Z: 13 7.907 1.537 0.956 0.324 0.833 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 44 33.858 2.029 0.833 0.628 0.907 0.628 CB 1.358 44 residues pruned to eliminate duplicates Z: 41 37.637 1.982 0.850 0.731 0.975 0.650 CB 1.352 33 residues pruned to eliminate duplicates Z: 12 14.238 1.719 0.526 0.909 1.000 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 66 37.826 2.002 0.561 0.606 0.954 0.677 CA 1.424 66 residues pruned to eliminate duplicates Z: 27 7.701 1.697 0.423 0.275 0.808 0.385 CB 0.999 22 residues pruned to eliminate duplicates Z: 7 5.611 1.851 0.339 0.444 1.000 0.333 CA 0.979 7 residues pruned to eliminate duplicates Z: 35 15.931 1.890 0.359 0.445 0.882 0.618 CB 1.276 35 residues pruned to eliminate duplicates Z: 35 17.172 1.942 0.315 0.460 0.912 0.618 CA 1.317 35 residues pruned to eliminate duplicates Z: 36 17.133 1.944 0.292 0.463 0.914 0.657 CB 1.309 36 residues pruned to eliminate duplicates Z: 28 13.423 1.937 0.386 0.372 0.852 0.630 CB 1.295 28 residues pruned to eliminate duplicates Z: 39 19.407 1.924 0.409 0.460 0.921 0.658 CA 1.313 45 residues pruned to eliminate duplicates Z: 6 6.066 1.663 0.427 0.365 1.000 0.400 N 1.321 6 residues pruned to eliminate duplicates Z: 35 14.622 1.925 0.216 0.445 0.971 0.706 CB 1.168 35 residues pruned to eliminate duplicates Z: 36 16.012 1.918 0.194 0.411 0.943 0.686 CA 1.377 37 residues pruned to eliminate duplicates Z: 6 2.561 1.487 0.519 0.261 0.600 0.400 N 1.111 6 residues pruned to eliminate duplicates Z: 37 16.209 1.931 0.303 0.451 0.889 0.667 CA 1.271 37 residues pruned to eliminate duplicates Z: 38 18.515 1.931 0.397 0.438 0.946 0.676 CA 1.272 38 residues pruned to eliminate duplicates Z: 36 19.872 1.934 0.368 0.451 1.000 0.543 CA 1.335 38 residues pruned to eliminate duplicates Z: 6 2.743 1.407 0.090 0.395 1.000 0.600 N 0.893 Z: 7 5.453 1.567 0.692 0.405 0.833 0.667 CB 1.114 Z: 7 4.795 1.487 0.733 0.404 0.833 0.500 C 1.008 Z: 11 8.949 1.578 0.876 0.459 0.800 0.300 C 1.246 11 residues pruned to eliminate duplicates Z: 22 20.058 2.121 0.572 0.432 0.857 0.619 CB 1.644 39 residues pruned to eliminate duplicates Z: 6 5.066 1.651 0.721 0.460 0.800 0.600 CB 1.039 Z: 6 7.363 1.580 0.697 0.414 1.000 0.600 O 1.344 6 residues pruned to eliminate duplicates Z: 50 21.671 2.013 0.364 0.413 0.898 0.571 CB 1.375 50 residues pruned to eliminate duplicates Z: 28 17.786 1.992 0.472 0.420 0.926 0.519 CB 1.371 28 residues pruned to eliminate duplicates Z: 23 9.903 1.858 0.149 0.426 0.864 0.500 CA 1.237 23 residues pruned to eliminate duplicates Z: 26 16.960 1.993 0.343 0.512 0.920 0.600 CB 1.362 26 residues pruned to eliminate duplicates Z: 37 17.649 1.962 0.385 0.436 0.833 0.611 CB 1.388 37 residues pruned to eliminate duplicates Z: 54 20.494 1.996 0.422 0.369 0.849 0.491 CB 1.344 54 residues pruned to eliminate duplicates Z: 37 21.549 2.041 0.449 0.455 0.833 0.583 CB 1.526 37 residues pruned to eliminate duplicates Z: 35 17.752 1.997 0.433 0.393 0.882 0.559 CB 1.351 35 residues pruned to eliminate duplicates Z: 53 22.844 1.999 0.390 0.406 0.865 0.615 CB 1.454 53 residues pruned to eliminate duplicates Z: 11 11.235 2.009 0.553 0.545 0.900 0.800 CA 1.211 11 residues pruned to eliminate duplicates Z: 52 19.857 1.925 0.584 0.395 0.843 0.510 CB 1.209 52 residues pruned to eliminate duplicates Z: 10 11.232 1.983 0.584 0.583 0.889 0.889 CB 1.239 10 residues pruned to eliminate duplicates Z: 24 17.655 1.998 0.473 0.492 0.913 0.652 CB 1.381 24 residues pruned to eliminate duplicates Z: 60 23.926 1.987 0.406 0.409 0.831 0.492 CB 1.477 60 residues pruned to eliminate duplicates Z: 13 9.535 1.982 0.523 0.373 0.750 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 35 15.843 1.995 0.415 0.363 0.824 0.471 CB 1.355 35 residues pruned to eliminate duplicates Z: 37 17.450 2.006 0.349 0.376 0.889 0.528 CB 1.381 37 residues pruned to eliminate duplicates Z: 21 15.071 1.960 0.344 0.443 0.950 0.650 CB 1.427 21 residues pruned to eliminate duplicates Z: 74 25.047 1.953 0.420 0.367 0.836 0.479 CB 1.459 74 residues pruned to eliminate duplicates Z: 15 10.605 1.782 0.664 0.361 0.929 0.571 CB 1.196 15 residues pruned to eliminate duplicates Z: 27 12.906 1.993 0.300 0.387 0.846 0.538 CB 1.302 27 residues pruned to eliminate duplicates Z: 27 13.282 1.990 0.462 0.346 0.808 0.538 CB 1.311 27 residues pruned to eliminate duplicates Z: 12 5.932 1.947 0.031 0.297 0.818 0.273 CB 1.367 12 residues pruned to eliminate duplicates Z: 26 11.599 2.006 0.287 0.342 0.840 0.440 CB 1.271 26 residues pruned to eliminate duplicates Z: 17 10.916 2.046 0.329 0.424 0.812 0.500 CB 1.337 17 residues pruned to eliminate duplicates Z: 31 16.661 1.970 0.471 0.371 0.867 0.433 CA 1.390 31 residues pruned to eliminate duplicates Z: 19 10.874 1.947 0.538 0.329 0.833 0.611 CB 1.239 19 residues pruned to eliminate duplicates Z: 12 8.503 1.810 0.520 0.490 0.818 0.545 CA 1.150 12 residues pruned to eliminate duplicates Z: 13 10.581 2.022 0.533 0.412 0.833 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 16 11.566 1.988 0.506 0.437 0.867 0.533 CA 1.228 16 residues pruned to eliminate duplicates Z: 18 11.317 1.940 0.480 0.390 0.765 0.529 CB 1.404 18 residues pruned to eliminate duplicates Z: 26 15.352 1.995 0.517 0.343 0.920 0.520 CB 1.308 26 residues pruned to eliminate duplicates Z: 22 12.292 1.929 0.428 0.339 0.857 0.333 CB 1.354 22 residues pruned to eliminate duplicates Z: 12 4.134 1.720 0.524 0.348 0.909 0.182 CB 0.617 12 residues pruned to eliminate duplicates Z: 37 18.504 1.986 0.411 0.392 0.889 0.528 CA 1.389 37 residues pruned to eliminate duplicates Z: 23 9.003 1.912 0.313 0.328 0.727 0.364 CB 1.270 23 residues pruned to eliminate duplicates Z: 7 4.003 2.047 0.121 0.304 0.667 0.333 CB 1.328 7 residues pruned to eliminate duplicates Z: 7 4.451 1.979 0.368 0.299 0.667 0.500 CA 1.261 7 residues pruned to eliminate duplicates Z: 22 12.176 1.971 0.513 0.332 0.810 0.476 CA 1.323 22 residues pruned to eliminate duplicates Z: 16 9.064 1.882 0.406 0.344 0.733 0.467 CB 1.430 16 residues pruned to eliminate duplicates Z: 10 2.365 1.580 0.289 0.105 0.667 0.444 CB 0.959 10 residues pruned to eliminate duplicates Z: 9 5.521 1.908 0.166 0.294 0.875 0.375 CA 1.263 9 residues pruned to eliminate duplicates 6 1.096 1.522 0.067 0.177 0.600 0.200 CB 0.742 ? Z: 20 11.895 1.892 0.443 0.387 0.842 0.421 CB 1.338 20 residues pruned to eliminate duplicates Z: 23 10.585 1.902 0.498 0.323 0.773 0.500 CA 1.245 23 residues pruned to eliminate duplicates Z: 21 10.570 1.831 0.603 0.388 0.750 0.500 CB 1.209 21 residues pruned to eliminate duplicates Z: 26 15.163 2.032 0.352 0.415 0.880 0.480 CA 1.371 26 residues pruned to eliminate duplicates Z: 13 11.498 2.044 0.754 0.388 0.833 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 27 15.919 2.080 0.505 0.354 0.846 0.577 CA 1.381 27 residues pruned to eliminate duplicates Z: 27 14.464 2.039 0.460 0.357 0.808 0.423 CA 1.376 27 residues pruned to eliminate duplicates Z: 12 9.368 1.954 0.379 0.194 1.000 0.455 CA 1.511 12 residues pruned to eliminate duplicates Z: 16 7.843 1.822 0.450 0.234 0.867 0.467 CA 1.205 16 residues pruned to eliminate duplicates Z: 25 16.209 2.027 0.476 0.396 0.917 0.542 CA 1.347 25 residues pruned to eliminate duplicates Z: 28 17.533 2.080 0.461 0.393 0.852 0.481 CA 1.459 28 residues pruned to eliminate duplicates Z: 27 17.920 2.051 0.480 0.442 0.885 0.500 CA 1.389 27 residues pruned to eliminate duplicates Z: 27 17.830 2.067 0.514 0.409 0.846 0.538 CA 1.452 27 residues pruned to eliminate duplicates Z: 30 16.052 1.994 0.612 0.354 0.828 0.517 CA 1.313 30 residues pruned to eliminate duplicates Z: 26 14.696 2.046 0.432 0.369 0.800 0.360 CA 1.442 26 residues pruned to eliminate duplicates Z: 16 12.540 2.100 0.480 0.393 0.800 0.333 CA 1.458 16 residues pruned to eliminate duplicates Z: 26 18.245 2.053 0.562 0.374 0.920 0.360 CA 1.416 26 residues pruned to eliminate duplicates Z: 27 15.930 2.063 0.549 0.381 0.808 0.500 CB 1.374 27 residues pruned to eliminate duplicates Z: 12 10.671 2.087 0.765 0.323 0.818 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 14 12.327 2.102 0.666 0.437 0.769 0.385 CB 1.355 14 residues pruned to eliminate duplicates Z: 29 16.676 2.043 0.569 0.374 0.857 0.357 CA 1.312 29 residues pruned to eliminate duplicates Z: 28 16.364 2.046 0.597 0.326 0.815 0.444 CA 1.432 28 residues pruned to eliminate duplicates Z: 14 14.192 2.096 0.579 0.454 0.846 0.385 CA 1.473 14 residues pruned to eliminate duplicates Z: 27 18.006 2.083 0.485 0.391 0.846 0.423 CA 1.515 27 residues pruned to eliminate duplicates Z: 13 11.936 2.062 0.666 0.387 0.750 0.333 CA 1.508 13 residues pruned to eliminate duplicates Z: 25 16.081 2.047 0.519 0.383 0.833 0.458 CA 1.435 25 residues pruned to eliminate duplicates Z: 10 2.523 1.842 0.134 0.203 0.556 0.222 CB 1.031 10 residues pruned to eliminate duplicates Z: 25 14.502 2.044 0.410 0.343 0.792 0.458 CB 1.539 25 residues pruned to eliminate duplicates Z: 17 8.215 2.056 0.554 0.277 0.625 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 7 4.293 2.068 0.104 0.248 0.667 0.333 N 1.539 7 residues pruned to eliminate duplicates Z: 37 15.205 1.998 0.399 0.380 0.778 0.417 CB 1.325 37 residues pruned to eliminate duplicates Z: 10 3.395 1.883 0.435 0.217 0.444 0.111 CB 1.314 10 residues pruned to eliminate duplicates Z: 44 22.246 2.045 0.295 0.484 0.837 0.488 CB 1.555 44 residues pruned to eliminate duplicates Z: 25 12.009 1.992 0.521 0.295 0.708 0.458 CB 1.436 25 residues pruned to eliminate duplicates Z: 13 6.592 1.889 0.416 0.198 0.750 0.417 N 1.360 13 residues pruned to eliminate duplicates Z: 44 20.917 2.001 0.446 0.458 0.767 0.488 CB 1.499 44 residues pruned to eliminate duplicates Z: 26 24.313 1.938 0.504 0.637 0.920 0.640 N 1.595 26 residues pruned to eliminate duplicates Z: 41 24.092 2.029 0.355 0.548 0.825 0.525 CB 1.602 41 residues pruned to eliminate duplicates Z: 11 5.995 1.563 0.410 0.393 0.800 0.400 N 1.204 11 residues pruned to eliminate duplicates Z: 24 22.101 2.010 0.423 0.653 0.870 0.652 CB 1.608 24 residues pruned to eliminate duplicates Z: 17 17.218 2.054 0.206 0.637 1.000 0.750 CB 1.528 17 residues pruned to eliminate duplicates Z: 39 20.579 2.023 0.404 0.406 0.842 0.579 CA 1.540 39 residues pruned to eliminate duplicates Z: 18 17.113 2.093 0.156 0.624 0.882 0.647 CB 1.729 18 residues pruned to eliminate duplicates Z: 18 17.619 2.029 0.158 0.632 1.000 0.588 CB 1.607 18 residues pruned to eliminate duplicates Z: 36 20.367 1.998 0.448 0.575 0.800 0.600 CB 1.384 36 residues pruned to eliminate duplicates Z: 51 29.614 2.112 0.512 0.512 0.860 0.540 CB 1.506 51 residues pruned to eliminate duplicates Z: 22 17.013 2.031 0.358 0.592 0.857 0.476 CB 1.439 22 residues pruned to eliminate duplicates Z: 33 19.257 1.996 0.365 0.555 0.812 0.500 CB 1.457 33 residues pruned to eliminate duplicates Z: 54 26.662 1.993 0.441 0.515 0.868 0.585 CB 1.447 54 residues pruned to eliminate duplicates Z: 16 19.093 2.066 0.248 0.702 1.000 0.667 CB 1.591 16 residues pruned to eliminate duplicates Z: 20 18.804 2.088 0.284 0.655 0.947 0.632 CB 1.471 20 residues pruned to eliminate duplicates Z: 80 36.473 2.088 0.501 0.503 0.861 0.582 CB 1.516 80 residues pruned to eliminate duplicates Z: 21 23.307 2.044 0.512 0.627 1.000 0.500 CB 1.497 21 residues pruned to eliminate duplicates Z: 29 23.130 1.993 0.563 0.628 0.857 0.500 CB 1.452 29 residues pruned to eliminate duplicates Z: 21 15.442 2.024 0.401 0.610 0.800 0.600 CB 1.372 21 residues pruned to eliminate duplicates Z: 58 33.972 2.059 0.570 0.568 0.877 0.544 CB 1.486 58 residues pruned to eliminate duplicates Z: 30 24.182 2.030 0.521 0.603 0.897 0.552 CB 1.471 30 residues pruned to eliminate duplicates Z: 28 26.661 2.069 0.545 0.631 0.926 0.593 CB 1.534 28 residues pruned to eliminate duplicates Z: 53 39.156 2.068 0.682 0.583 0.885 0.558 CB 1.630 53 residues pruned to eliminate duplicates Z: 76 35.881 2.099 0.498 0.454 0.867 0.413 CB 1.594 76 residues pruned to eliminate duplicates Z: 33 19.047 2.024 0.356 0.591 0.812 0.406 CB 1.384 33 residues pruned to eliminate duplicates Z: 30 20.829 2.003 0.396 0.629 0.793 0.414 CB 1.545 30 residues pruned to eliminate duplicates Z: 61 32.735 2.082 0.467 0.491 0.867 0.500 CB 1.611 61 residues pruned to eliminate duplicates Z: 36 27.592 2.012 0.515 0.593 0.886 0.457 CB 1.580 36 residues pruned to eliminate duplicates Z: 65 36.064 2.038 0.538 0.549 0.906 0.547 CB 1.514 65 residues pruned to eliminate duplicates Z: 32 21.947 2.080 0.565 0.432 0.839 0.516 CB 1.550 32 residues pruned to eliminate duplicates Z: 13 13.891 2.059 0.769 0.626 0.833 0.500 CB 1.173 24 residues pruned to eliminate duplicates Z: 9 6.812 1.816 0.824 0.448 0.750 0.375 CB 1.022 9 residues pruned to eliminate duplicates Z: 29 19.945 2.051 0.659 0.399 0.857 0.464 CB 1.437 29 residues pruned to eliminate duplicates Z: 28 22.099 2.125 0.619 0.443 0.926 0.556 CB 1.416 28 residues pruned to eliminate duplicates Z: 31 18.487 2.049 0.738 0.339 0.767 0.467 CB 1.474 31 residues pruned to eliminate duplicates Z: 25 22.452 2.150 0.757 0.393 0.917 0.542 CB 1.482 25 residues pruned to eliminate duplicates Z: 49 25.816 2.110 0.540 0.465 0.854 0.438 CB 1.391 49 residues pruned to eliminate duplicates Z: 24 21.125 2.119 0.650 0.382 0.957 0.522 CB 1.494 24 residues pruned to eliminate duplicates Z: 93 38.416 2.071 0.556 0.444 0.891 0.489 CB 1.477 93 residues pruned to eliminate duplicates Z: 24 17.749 2.175 0.655 0.276 0.870 0.478 CB 1.523 24 residues pruned to eliminate duplicates Z: 17 17.752 2.177 0.634 0.396 0.875 0.625 CB 1.591 17 residues pruned to eliminate duplicates Z: 31 23.006 2.087 0.717 0.440 0.900 0.500 CB 1.386 31 residues pruned to eliminate duplicates Z: 29 22.158 2.090 0.638 0.416 0.893 0.429 CA 1.496 29 residues pruned to eliminate duplicates Z: 25 19.160 2.141 0.705 0.271 0.917 0.417 CA 1.516 25 residues pruned to eliminate duplicates Z: 25 21.257 2.169 0.635 0.410 0.833 0.458 CA 1.613 25 residues pruned to eliminate duplicates Z: 28 18.512 1.998 0.661 0.361 0.852 0.407 CB 1.465 28 residues pruned to eliminate duplicates Z: 23 17.886 2.151 0.710 0.305 0.864 0.364 CA 1.491 23 residues pruned to eliminate duplicates Z: 24 22.974 2.185 0.837 0.301 0.913 0.522 CA 1.632 24 residues pruned to eliminate duplicates Z: 27 22.681 2.157 0.650 0.421 0.885 0.462 CB 1.535 27 residues pruned to eliminate duplicates Z: 27 24.829 2.159 0.773 0.380 0.923 0.385 CA 1.567 27 residues pruned to eliminate duplicates Z: 11 18.739 2.065 0.664 0.653 0.900 0.700 CB 1.662 17 residues pruned to eliminate duplicates Z: 7 10.787 1.975 0.410 0.823 0.833 0.167 CA 1.434 7 residues pruned to eliminate duplicates Z: 19 23.757 2.161 0.715 0.515 0.944 0.556 CA 1.577 19 residues pruned to eliminate duplicates Z: 30 21.823 2.039 0.827 0.353 0.897 0.414 CB 1.423 30 residues pruned to eliminate duplicates Z: 12 16.942 2.006 0.746 0.617 0.909 0.455 CB 1.436 12 residues pruned to eliminate duplicates Z: 13 8.108 1.641 0.597 0.467 0.833 0.417 CB 1.108 7 residues pruned to eliminate duplicates 668 residues left after pruning, divided into chains as follows: A: 6 B: 12 C: 6 D: 7 E: 13 F: 24 G: 62 H: 17 I: 12 J: 9 K: 42 L: 99 M: 11 N: 76 O: 63 P: 36 Q: 153 R: 11 S: 9 CC for partial structure against native data = 24.38 % ------------------------------------------------------------------------------ Global autotracing cycle 28 = 0.300, Contrast = 0.395, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6690 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1264 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 15.232 2.110 0.537 0.514 0.917 0.667 CB 1.459 B: 12 14.437 2.032 0.548 0.631 1.000 0.545 CB 1.224 C: 51 23.442 2.005 0.479 0.407 0.880 0.560 CB 1.401 D: 21 35.304 2.190 0.651 0.924 1.000 0.650 CB 1.533 E: 16 12.261 1.951 0.477 0.422 0.867 0.667 CA 1.376 F: 22 37.053 2.235 0.541 0.903 1.000 0.857 CB 1.672 21 residues pruned to eliminate duplicates G: 22 44.062 2.239 0.882 0.908 1.000 0.619 CB 1.621 22 residues pruned to eliminate duplicates H: 22 40.256 2.249 0.747 0.907 1.000 0.810 CB 1.589 22 residues pruned to eliminate duplicates I: 22 31.486 1.954 0.780 0.890 1.000 0.857 CB 1.421 J: 22 42.662 2.256 0.719 0.905 1.000 0.905 CB 1.708 22 residues pruned to eliminate duplicates K: 21 44.303 2.312 0.803 0.932 1.000 0.950 CB 1.659 21 residues pruned to eliminate duplicates L: 21 47.393 2.326 0.884 0.922 1.000 0.950 CB 1.701 21 residues pruned to eliminate duplicates M: 16 20.291 2.084 0.349 0.883 0.933 0.800 CB 1.444 N: 13 13.270 2.006 0.456 0.764 0.833 0.583 CA 1.245 O: 10 8.928 1.990 0.407 0.367 0.778 0.333 CB 1.576 P: 12 21.364 1.966 0.674 0.906 1.000 0.909 CB 1.392 13 residues pruned to eliminate duplicates Q: 8 10.699 1.907 0.374 0.766 0.857 0.429 CA 1.422 R: 14 16.162 2.013 0.186 0.899 0.846 0.692 CB 1.585 14 residues pruned to eliminate duplicates S: 21 42.110 2.289 0.716 0.911 1.000 0.900 CB 1.699 21 residues pruned to eliminate duplicates T: 21 43.790 2.311 0.747 0.927 1.000 0.900 CB 1.700 21 residues pruned to eliminate duplicates U: 24 12.889 1.819 0.423 0.463 0.957 0.652 CB 1.127 18 residues pruned to eliminate duplicates V: 12 15.940 2.062 0.390 0.903 1.000 0.818 CA 1.195 W: 12 18.390 2.038 0.224 0.922 1.000 1.000 CA 1.563 12 residues pruned to eliminate duplicates X: 15 20.730 2.093 0.633 0.881 1.000 0.571 CA 1.174 12 residues pruned to eliminate duplicates Y: 23 22.825 2.134 0.734 0.396 0.909 0.545 CA 1.614 Z: 17 13.702 1.931 0.559 0.804 0.750 0.438 CA 1.164 16 residues pruned to eliminate duplicates Z: 17 23.976 2.019 0.466 0.895 1.000 0.750 CB 1.452 16 residues pruned to eliminate duplicates Z: 20 20.355 2.229 0.833 0.408 0.895 0.632 CB 1.406 Z: 63 32.998 2.021 0.498 0.590 0.903 0.694 CA 1.406 47 residues pruned to eliminate duplicates Z: 10 9.131 1.818 0.355 0.491 0.889 0.556 CA 1.403 Z: 11 16.674 2.244 0.393 0.784 1.000 0.500 CB 1.313 Z: 25 21.837 2.162 0.745 0.325 0.917 0.417 CA 1.562 Z: 17 14.743 2.081 0.734 0.362 0.812 0.500 CB 1.459 17 residues pruned to eliminate duplicates Z: 22 9.530 1.788 0.436 0.374 0.762 0.381 CB 1.216 15 residues pruned to eliminate duplicates Z: 13 18.746 2.207 0.478 0.911 0.833 0.583 CB 1.410 13 residues pruned to eliminate duplicates Z: 23 24.818 1.977 0.250 0.924 1.000 1.000 CB 1.503 23 residues pruned to eliminate duplicates Z: 13 12.400 1.972 0.259 0.795 0.917 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 21 31.437 2.032 0.620 0.920 1.000 1.000 CB 1.503 21 residues pruned to eliminate duplicates Z: 10 8.496 1.801 0.291 0.477 0.889 0.444 CA 1.402 10 residues pruned to eliminate duplicates Z: 15 10.512 1.952 0.339 0.361 0.929 0.571 CA 1.345 Z: 16 25.146 2.015 0.606 0.877 1.000 0.667 CB 1.458 17 residues pruned to eliminate duplicates Z: 29 16.973 2.059 0.230 0.474 0.893 0.571 CA 1.456 13 residues pruned to eliminate duplicates Z: 33 21.032 2.080 0.445 0.438 0.844 0.469 CB 1.564 Z: 7 10.677 1.737 0.500 0.898 1.000 0.833 CB 1.197 Z: 19 22.966 2.222 0.615 0.530 0.889 0.556 CB 1.648 16 residues pruned to eliminate duplicates Z: 22 28.032 2.012 0.408 0.915 1.000 0.952 CB 1.525 22 residues pruned to eliminate duplicates Z: 29 19.120 2.095 0.571 0.456 0.857 0.500 CB 1.341 29 residues pruned to eliminate duplicates Z: 19 19.704 2.077 0.266 0.820 0.889 0.778 CB 1.505 19 residues pruned to eliminate duplicates Z: 11 8.539 1.897 0.409 0.404 0.800 0.600 CB 1.396 Z: 15 12.671 2.141 -0.026 0.861 0.857 0.714 CB 1.392 15 residues pruned to eliminate duplicates Z: 11 13.741 1.836 0.668 0.769 0.800 0.600 CB 1.397 8 residues pruned to eliminate duplicates Z: 18 13.229 1.952 0.408 0.488 0.882 0.588 CB 1.339 18 residues pruned to eliminate duplicates Z: 45 20.270 1.932 0.290 0.428 0.932 0.523 CB 1.418 32 residues pruned to eliminate duplicates Z: 24 11.279 1.875 0.339 0.321 0.783 0.478 CB 1.458 14 residues pruned to eliminate duplicates Z: 66 44.785 2.193 0.614 0.571 0.923 0.554 CB 1.587 50 residues pruned to eliminate duplicates Z: 13 16.761 2.000 0.637 0.515 0.917 0.667 CA 1.589 13 residues pruned to eliminate duplicates Z: 35 19.305 1.983 0.419 0.430 0.882 0.529 CA 1.433 35 residues pruned to eliminate duplicates Z: 23 13.101 1.919 0.357 0.508 0.909 0.591 CB 1.170 23 residues pruned to eliminate duplicates Z: 45 30.215 2.080 0.629 0.498 0.909 0.591 CA 1.482 44 residues pruned to eliminate duplicates Z: 43 34.816 2.099 0.563 0.640 0.976 0.595 CA 1.471 31 residues pruned to eliminate duplicates Z: 22 44.397 2.258 0.843 0.895 1.000 0.571 CB 1.669 22 residues pruned to eliminate duplicates Z: 6 3.038 1.793 -0.102 0.625 0.800 0.400 CB 0.937 Z: 14 19.269 2.202 0.420 0.864 0.923 0.769 CB 1.357 14 residues pruned to eliminate duplicates Z: 11 15.484 2.179 0.942 0.486 0.900 0.600 CB 1.305 12 residues pruned to eliminate duplicates Z: 27 25.915 2.068 0.450 0.553 0.923 0.577 CA 1.745 12 residues pruned to eliminate duplicates Z: 54 33.043 2.003 0.559 0.572 0.943 0.547 CA 1.437 50 residues pruned to eliminate duplicates Z: 9 7.336 1.477 0.513 0.811 1.000 0.750 CA 0.885 9 residues pruned to eliminate duplicates Z: 15 18.070 2.125 0.305 0.845 0.929 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 21 33.926 2.241 0.612 0.878 0.950 0.400 CB 1.603 21 residues pruned to eliminate duplicates Z: 16 19.341 2.105 0.244 0.903 1.000 0.800 CB 1.358 16 residues pruned to eliminate duplicates Z: 8 5.374 1.901 -0.137 0.597 0.857 0.429 CB 1.316 Z: 28 27.135 2.033 0.694 0.638 0.926 0.519 CA 1.440 26 residues pruned to eliminate duplicates Z: 10 10.255 1.743 0.511 0.810 0.778 0.778 CB 1.274 10 residues pruned to eliminate duplicates Z: 7 4.288 1.816 0.653 0.776 0.500 0.500 CB 0.914 7 residues pruned to eliminate duplicates Z: 37 28.306 2.110 0.610 0.541 0.972 0.556 CB 1.372 32 residues pruned to eliminate duplicates Z: 11 9.292 1.927 0.349 0.557 0.800 0.500 CA 1.337 11 residues pruned to eliminate duplicates Z: 62 31.865 1.985 0.498 0.530 0.951 0.590 CA 1.400 16 residues pruned to eliminate duplicates Z: 11 9.739 1.708 0.156 0.604 1.000 0.700 N 1.413 11 residues pruned to eliminate duplicates Z: 9 13.089 1.926 0.473 0.812 0.875 0.875 CB 1.421 9 residues pruned to eliminate duplicates Z: 28 21.182 2.055 0.597 0.458 0.963 0.556 CB 1.347 28 residues pruned to eliminate duplicates Z: 9 10.200 1.947 0.099 0.569 1.000 0.625 CB 1.577 8 residues pruned to eliminate duplicates Z: 16 20.091 2.039 0.349 0.882 1.000 0.800 CA 1.365 16 residues pruned to eliminate duplicates Z: 8 3.730 1.384 0.264 0.416 0.857 0.429 N 1.026 8 residues pruned to eliminate duplicates Z: 13 14.002 2.062 0.629 0.500 0.833 0.667 CA 1.445 13 residues pruned to eliminate duplicates Z: 10 12.828 2.110 0.654 0.412 0.778 0.333 CA 1.727 10 residues pruned to eliminate duplicates Z: 13 13.075 1.909 0.589 0.465 0.917 0.667 CB 1.407 Z: 6 6.032 1.919 -0.251 0.796 1.000 1.000 CA 1.447 Z: 23 19.920 2.104 0.323 0.607 0.864 0.727 CB 1.597 23 residues pruned to eliminate duplicates Z: 13 21.128 2.033 0.585 0.842 1.000 0.500 CB 1.410 13 residues pruned to eliminate duplicates Z: 29 13.455 1.870 0.413 0.419 0.857 0.500 CB 1.222 24 residues pruned to eliminate duplicates Z: 22 18.171 1.917 0.254 0.871 0.952 0.762 CB 1.263 22 residues pruned to eliminate duplicates Z: 7 15.816 2.197 0.533 0.651 1.000 0.500 CB 1.666 7 residues pruned to eliminate duplicates Z: 10 10.362 1.878 0.363 0.603 1.000 0.556 CB 1.223 9 residues pruned to eliminate duplicates Z: 56 19.781 1.928 0.416 0.331 0.836 0.436 CB 1.406 56 residues pruned to eliminate duplicates Z: 21 45.358 2.315 0.849 0.895 1.000 0.750 CB 1.699 21 residues pruned to eliminate duplicates Z: 9 2.178 1.591 0.061 0.307 0.625 0.500 CB 0.904 Z: 10 11.156 2.157 0.175 0.813 0.889 0.667 CB 1.257 10 residues pruned to eliminate duplicates Z: 22 12.559 1.957 0.391 0.495 0.857 0.619 CB 1.180 19 residues pruned to eliminate duplicates Z: 26 15.057 1.904 0.291 0.441 0.960 0.640 CB 1.356 Z: 8 3.279 1.567 0.306 0.212 0.714 0.429 C 1.192 Z: 13 19.149 2.260 0.329 0.880 1.000 0.750 CB 1.333 13 residues pruned to eliminate duplicates Z: 20 39.319 2.242 0.734 0.916 1.000 0.947 CB 1.638 20 residues pruned to eliminate duplicates Z: 9 8.808 1.946 0.569 0.421 0.875 0.750 CB 1.265 9 residues pruned to eliminate duplicates Z: 21 44.573 2.323 0.772 0.916 1.000 0.600 CB 1.710 21 residues pruned to eliminate duplicates Z: 8 8.615 1.698 0.561 0.636 0.857 0.857 CB 1.262 Z: 17 18.160 1.964 0.302 0.875 1.000 0.688 CA 1.291 17 residues pruned to eliminate duplicates Z: 20 31.781 1.994 0.884 0.908 1.000 0.737 CB 1.379 20 residues pruned to eliminate duplicates Z: 10 9.066 1.855 0.382 0.458 0.778 0.667 CB 1.582 11 residues pruned to eliminate duplicates Z: 12 8.829 1.957 0.175 0.443 0.818 0.455 CB 1.500 Z: 8 11.799 2.101 0.782 0.415 0.857 0.286 CB 1.519 8 residues pruned to eliminate duplicates Z: 21 40.206 2.300 0.939 0.879 0.950 0.700 CB 1.539 21 residues pruned to eliminate duplicates Z: 40 21.050 1.948 0.349 0.483 0.923 0.641 CB 1.414 42 residues pruned to eliminate duplicates Z: 34 27.103 2.062 0.466 0.589 0.939 0.576 CB 1.525 34 residues pruned to eliminate duplicates Z: 20 20.412 2.138 0.598 0.462 0.895 0.579 CA 1.593 20 residues pruned to eliminate duplicates Z: 25 15.047 1.931 0.534 0.424 0.833 0.500 CB 1.346 25 residues pruned to eliminate duplicates Z: 18 22.204 2.037 0.546 0.878 0.941 0.706 CA 1.318 18 residues pruned to eliminate duplicates Z: 19 7.078 1.790 0.143 0.285 0.944 0.389 CB 1.099 19 residues pruned to eliminate duplicates Z: 27 18.903 2.104 0.625 0.350 0.846 0.462 CB 1.507 26 residues pruned to eliminate duplicates Z: 17 15.884 1.817 0.416 0.842 1.000 0.875 CA 1.151 17 residues pruned to eliminate duplicates Z: 45 16.904 1.874 0.350 0.359 0.818 0.523 CB 1.433 36 residues pruned to eliminate duplicates Z: 21 11.082 1.845 0.435 0.362 0.850 0.400 CB 1.278 12 residues pruned to eliminate duplicates Z: 36 27.117 2.039 0.649 0.601 0.943 0.571 CB 1.313 36 residues pruned to eliminate duplicates Z: 20 33.898 2.038 0.816 0.937 1.000 0.684 CB 1.462 20 residues pruned to eliminate duplicates Z: 15 8.278 1.957 0.454 0.312 0.786 0.429 CA 1.219 Z: 8 9.003 1.931 0.429 0.349 1.000 0.286 CB 1.452 8 residues pruned to eliminate duplicates Z: 64 36.767 2.024 0.488 0.579 0.984 0.746 CA 1.448 74 residues pruned to eliminate duplicates Z: 8 16.950 2.226 0.805 0.852 1.000 0.714 CB 1.179 8 residues pruned to eliminate duplicates Z: 51 33.404 1.974 0.538 0.672 0.960 0.660 CB 1.382 51 residues pruned to eliminate duplicates Z: 27 15.619 1.897 0.255 0.423 0.962 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 23 27.667 1.996 0.368 0.906 1.000 0.864 CB 1.537 23 residues pruned to eliminate duplicates Z: 34 25.326 2.094 0.454 0.495 0.939 0.545 CA 1.549 26 residues pruned to eliminate duplicates Z: 44 21.096 2.016 0.380 0.416 0.860 0.558 CB 1.467 44 residues pruned to eliminate duplicates Z: 51 47.548 2.226 0.683 0.640 1.000 0.540 CA 1.575 51 residues pruned to eliminate duplicates Z: 26 19.599 2.069 0.698 0.408 0.880 0.520 CA 1.397 10 residues pruned to eliminate duplicates Z: 14 20.547 2.161 0.376 0.909 1.000 0.846 CB 1.361 14 residues pruned to eliminate duplicates Z: 76 52.775 2.199 0.747 0.571 0.960 0.547 CB 1.542 80 residues pruned to eliminate duplicates Z: 6 4.212 1.926 -0.064 0.541 1.000 0.600 CB 1.004 6 residues pruned to eliminate duplicates Z: 10 13.377 2.124 0.038 0.889 1.000 0.889 CB 1.457 10 residues pruned to eliminate duplicates Z: 17 11.873 1.932 0.394 0.436 0.812 0.500 N 1.450 17 residues pruned to eliminate duplicates Z: 6 7.917 1.844 0.262 0.826 1.000 0.600 CA 1.147 6 residues pruned to eliminate duplicates Z: 47 21.684 1.991 0.443 0.409 0.848 0.478 CB 1.444 47 residues pruned to eliminate duplicates Z: 15 14.539 1.939 0.760 0.464 0.857 0.714 CB 1.379 14 residues pruned to eliminate duplicates Z: 10 10.353 1.787 0.450 0.797 0.778 0.667 CB 1.320 10 residues pruned to eliminate duplicates Z: 9 3.974 1.758 -0.097 0.488 0.750 0.500 CB 1.195 9 residues pruned to eliminate duplicates Z: 28 16.890 2.036 0.234 0.471 0.963 0.667 CA 1.384 28 residues pruned to eliminate duplicates Z: 8 5.269 1.948 0.429 0.227 0.857 0.571 CA 1.148 8 residues pruned to eliminate duplicates Z: 6 3.991 1.739 0.209 0.651 0.800 0.800 N 0.923 6 residues pruned to eliminate duplicates Z: 35 15.496 1.832 0.385 0.424 0.853 0.588 CB 1.329 35 residues pruned to eliminate duplicates Z: 16 7.776 1.852 0.074 0.411 0.867 0.533 CB 1.278 16 residues pruned to eliminate duplicates Z: 32 20.068 2.039 0.615 0.451 0.839 0.516 CA 1.373 32 residues pruned to eliminate duplicates Z: 22 11.960 1.848 0.412 0.383 0.905 0.476 CB 1.252 22 residues pruned to eliminate duplicates Z: 9 6.051 1.661 -0.049 0.637 0.875 0.875 CA 1.361 Z: 8 5.370 1.772 -0.174 0.591 1.000 0.571 CB 1.271 8 residues pruned to eliminate duplicates Z: 8 13.552 2.079 0.739 0.570 0.857 0.571 CB 1.545 8 residues pruned to eliminate duplicates Z: 23 21.373 2.092 0.674 0.466 0.864 0.455 CB 1.559 23 residues pruned to eliminate duplicates Z: 22 41.623 2.141 0.870 0.904 1.000 0.810 CB 1.616 22 residues pruned to eliminate duplicates Z: 37 22.285 2.013 0.530 0.482 0.861 0.583 CB 1.425 38 residues pruned to eliminate duplicates Z: 10 18.144 1.916 0.723 0.899 1.000 0.444 CA 1.310 10 residues pruned to eliminate duplicates Z: 6 3.493 1.424 0.654 0.474 0.800 0.400 N 0.851 Z: 10 3.130 1.619 0.023 0.388 0.778 0.444 CB 0.912 10 residues pruned to eliminate duplicates Z: 28 19.728 1.994 0.433 0.474 0.963 0.704 CB 1.416 28 residues pruned to eliminate duplicates 6 1.441 1.511 0.127 0.358 0.600 0.400 N 0.735 ? Z: 16 13.674 2.037 0.124 0.771 0.933 0.667 CB 1.300 16 residues pruned to eliminate duplicates Z: 21 37.245 2.159 0.702 0.902 1.000 0.850 CB 1.617 21 residues pruned to eliminate duplicates Z: 13 10.126 1.978 0.463 0.398 1.000 0.583 CA 1.125 13 residues pruned to eliminate duplicates Z: 9 11.073 1.880 0.484 0.558 0.875 0.375 CB 1.516 9 residues pruned to eliminate duplicates Z: 15 23.884 2.286 0.434 0.814 0.857 0.500 CB 1.728 15 residues pruned to eliminate duplicates Z: 8 6.433 1.859 0.342 0.450 1.000 0.714 CB 1.026 Z: 29 15.122 1.919 0.516 0.388 0.821 0.536 CB 1.346 29 residues pruned to eliminate duplicates Z: 11 9.438 1.884 0.501 0.439 0.800 0.400 CB 1.406 11 residues pruned to eliminate duplicates Z: 26 13.514 1.993 0.365 0.358 0.840 0.480 CB 1.379 26 residues pruned to eliminate duplicates Z: 18 12.413 1.745 0.551 0.446 0.824 0.471 CA 1.428 13 residues pruned to eliminate duplicates Z: 9 8.688 1.640 0.441 0.616 0.875 0.625 N 1.331 9 residues pruned to eliminate duplicates Z: 17 11.476 2.061 0.547 0.278 0.812 0.500 CA 1.425 17 residues pruned to eliminate duplicates Z: 55 23.764 1.970 0.294 0.469 0.926 0.556 CB 1.413 53 residues pruned to eliminate duplicates Z: 45 17.313 1.919 0.392 0.337 0.886 0.545 CB 1.317 45 residues pruned to eliminate duplicates Z: 12 17.628 2.067 0.620 0.770 1.000 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 9 11.971 1.984 0.832 0.428 0.875 0.500 CB 1.434 9 residues pruned to eliminate duplicates Z: 8 5.134 1.691 -0.318 0.660 1.000 0.714 O 1.449 8 residues pruned to eliminate duplicates Z: 51 32.217 2.023 0.628 0.498 0.900 0.540 CA 1.540 56 residues pruned to eliminate duplicates Z: 13 14.179 2.095 0.572 0.492 0.833 0.667 CB 1.503 13 residues pruned to eliminate duplicates Z: 31 22.041 2.086 0.695 0.404 0.900 0.467 CB 1.398 31 residues pruned to eliminate duplicates Z: 14 12.422 1.934 0.410 0.555 0.769 0.615 CB 1.556 14 residues pruned to eliminate duplicates Z: 22 44.708 2.221 0.919 0.931 1.000 0.905 CB 1.600 22 residues pruned to eliminate duplicates Z: 9 9.524 1.656 0.489 0.641 1.000 0.500 CB 1.197 9 residues pruned to eliminate duplicates Z: 11 18.437 1.917 0.819 0.868 1.000 0.900 CB 1.222 11 residues pruned to eliminate duplicates Z: 16 22.109 2.152 0.556 0.692 0.933 0.600 CB 1.533 16 residues pruned to eliminate duplicates Z: 14 21.079 2.034 0.322 0.879 1.000 0.923 CA 1.577 14 residues pruned to eliminate duplicates Z: 14 4.334 1.571 0.653 0.312 0.615 0.385 CB 0.927 14 residues pruned to eliminate duplicates Z: 15 15.098 1.907 0.672 0.520 0.929 0.714 CB 1.335 15 residues pruned to eliminate duplicates Z: 13 6.770 1.981 0.168 0.313 0.667 0.500 CA 1.559 13 residues pruned to eliminate duplicates Z: 22 43.502 2.253 0.844 0.923 1.000 0.667 CB 1.606 22 residues pruned to eliminate duplicates Z: 9 9.188 2.042 0.235 0.516 0.875 0.750 CA 1.449 9 residues pruned to eliminate duplicates Z: 14 12.043 1.910 0.449 0.455 0.846 0.538 CA 1.493 14 residues pruned to eliminate duplicates Z: 10 10.203 1.654 0.264 0.866 1.000 1.000 CA 1.191 10 residues pruned to eliminate duplicates Z: 20 8.978 1.910 0.353 0.363 0.737 0.526 CA 1.254 16 residues pruned to eliminate duplicates Z: 14 8.614 1.722 0.414 0.376 0.846 0.385 CB 1.325 14 residues pruned to eliminate duplicates Z: 38 16.868 1.925 0.277 0.407 0.973 0.541 CB 1.277 38 residues pruned to eliminate duplicates Z: 13 7.919 1.861 0.401 0.355 0.750 0.500 CB 1.369 13 residues pruned to eliminate duplicates Z: 26 12.921 1.859 0.346 0.386 0.920 0.520 CA 1.267 26 residues pruned to eliminate duplicates Z: 9 4.481 1.690 0.514 0.261 0.750 0.500 CA 1.084 Z: 23 29.426 1.896 0.834 0.862 1.000 0.727 CB 1.324 22 residues pruned to eliminate duplicates Z: 16 23.820 2.053 0.372 0.863 1.000 0.867 CB 1.602 16 residues pruned to eliminate duplicates Z: 61 26.478 1.982 0.426 0.427 0.933 0.533 CA 1.398 61 residues pruned to eliminate duplicates Z: 64 38.560 2.033 0.636 0.583 0.937 0.730 CA 1.441 25 residues pruned to eliminate duplicates Z: 9 12.340 1.985 0.764 0.493 0.875 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 28 17.141 2.077 0.496 0.379 0.852 0.444 CA 1.419 28 residues pruned to eliminate duplicates Z: 29 15.490 2.061 0.460 0.379 0.786 0.571 CA 1.408 29 residues pruned to eliminate duplicates Z: 9 10.792 1.827 0.562 0.709 1.000 0.750 CB 1.106 8 residues pruned to eliminate duplicates Z: 35 20.655 1.992 0.439 0.471 0.912 0.706 CB 1.395 35 residues pruned to eliminate duplicates Z: 13 23.748 2.236 0.512 0.870 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates Z: 19 21.015 2.005 0.324 0.925 1.000 0.944 CB 1.309 17 residues pruned to eliminate duplicates Z: 63 23.531 1.941 0.341 0.402 0.903 0.500 CA 1.409 63 residues pruned to eliminate duplicates Z: 50 25.794 2.010 0.346 0.477 0.959 0.592 CB 1.453 50 residues pruned to eliminate duplicates Z: 7 12.707 1.979 0.443 0.819 1.000 0.500 CB 1.378 7 residues pruned to eliminate duplicates Z: 12 9.070 1.947 0.584 0.297 0.818 0.545 CA 1.359 12 residues pruned to eliminate duplicates Z: 15 9.168 1.739 0.426 0.311 0.929 0.429 CB 1.312 13 residues pruned to eliminate duplicates Z: 10 7.181 1.939 0.250 0.448 0.778 0.333 CB 1.339 9 residues pruned to eliminate duplicates Z: 43 17.188 1.917 0.358 0.415 0.857 0.452 CB 1.299 43 residues pruned to eliminate duplicates Z: 6 2.612 1.904 -0.199 0.558 0.800 0.800 CB 0.905 Z: 20 10.582 1.870 0.280 0.414 0.789 0.316 CB 1.406 20 residues pruned to eliminate duplicates Z: 8 6.158 1.644 0.528 0.618 0.714 0.571 N 1.161 Z: 9 4.432 1.413 0.590 0.470 0.750 0.500 CA 0.958 9 residues pruned to eliminate duplicates Z: 9 3.694 1.539 0.097 0.525 0.875 0.625 CB 0.863 Z: 11 7.887 1.866 0.334 0.546 0.900 0.600 CB 1.064 11 residues pruned to eliminate duplicates Z: 6 5.754 1.698 0.425 0.404 1.000 0.800 CB 1.177 Z: 20 8.159 1.714 0.278 0.318 0.842 0.526 CB 1.240 10 residues pruned to eliminate duplicates Z: 22 46.129 2.241 1.134 0.904 1.000 0.619 CB 1.500 22 residues pruned to eliminate duplicates Z: 50 36.469 2.176 0.527 0.640 0.898 0.510 CA 1.531 50 residues pruned to eliminate duplicates Z: 9 3.810 1.423 0.411 0.439 0.750 0.500 CA 0.953 Z: 41 16.454 1.947 0.365 0.342 0.850 0.450 CA 1.368 41 residues pruned to eliminate duplicates Z: 20 10.174 1.879 0.361 0.381 0.789 0.368 CA 1.312 17 residues pruned to eliminate duplicates Z: 6 4.057 1.823 0.577 0.296 0.800 0.400 CB 0.991 6 residues pruned to eliminate duplicates Z: 19 14.704 2.064 0.340 0.476 0.889 0.444 CB 1.444 19 residues pruned to eliminate duplicates Z: 26 13.371 1.904 0.435 0.355 0.880 0.520 CB 1.301 26 residues pruned to eliminate duplicates Z: 22 22.912 1.923 0.525 0.909 1.000 0.810 CB 1.209 22 residues pruned to eliminate duplicates Z: 7 2.456 1.566 0.515 0.245 0.667 0.333 CB 0.852 7 residues pruned to eliminate duplicates Z: 6 7.097 2.071 0.216 0.626 0.800 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 8 3.609 1.638 0.036 0.268 1.000 0.857 CB 1.047 8 residues pruned to eliminate duplicates Z: 16 8.189 1.892 0.215 0.362 0.867 0.533 CA 1.231 16 residues pruned to eliminate duplicates Z: 53 36.214 2.000 0.630 0.671 0.981 0.635 CB 1.341 41 residues pruned to eliminate duplicates Z: 10 8.642 1.768 0.444 0.521 0.889 0.556 N 1.243 10 residues pruned to eliminate duplicates Z: 6 2.832 1.709 -0.385 0.661 0.800 0.800 O 1.298 Z: 22 28.521 1.980 0.518 0.930 1.000 0.762 CB 1.448 22 residues pruned to eliminate duplicates Z: 26 11.469 1.903 0.436 0.356 0.880 0.480 CB 1.114 26 residues pruned to eliminate duplicates Z: 6 9.062 1.756 0.183 0.842 1.000 0.600 CB 1.454 9 residues pruned to eliminate duplicates Z: 9 6.291 1.531 0.638 0.488 0.750 0.500 CB 1.196 Z: 32 22.227 2.048 0.657 0.431 0.903 0.516 CA 1.399 32 residues pruned to eliminate duplicates Z: 44 33.054 2.054 0.567 0.663 0.953 0.628 CA 1.413 44 residues pruned to eliminate duplicates Z: 19 13.436 2.053 0.247 0.603 0.778 0.556 CA 1.442 19 residues pruned to eliminate duplicates Z: 54 26.047 1.983 0.346 0.460 0.962 0.509 CA 1.450 54 residues pruned to eliminate duplicates Z: 8 12.147 2.076 0.540 0.580 1.000 0.714 CA 1.329 8 residues pruned to eliminate duplicates Z: 10 7.375 1.960 0.435 0.411 0.778 0.556 N 1.233 10 residues pruned to eliminate duplicates Z: 13 18.887 2.006 0.736 0.842 0.917 0.583 CB 1.273 13 residues pruned to eliminate duplicates Z: 13 5.005 1.711 0.193 0.496 0.833 0.500 CB 0.853 9 residues pruned to eliminate duplicates Z: 19 11.470 1.980 0.540 0.396 0.944 0.611 CA 1.047 19 residues pruned to eliminate duplicates Z: 7 9.318 1.833 0.405 0.783 1.000 0.833 CB 1.151 Z: 30 12.460 1.785 0.241 0.372 0.931 0.552 CB 1.287 30 residues pruned to eliminate duplicates Z: 11 8.903 1.756 0.408 0.776 1.000 0.800 CA 0.892 11 residues pruned to eliminate duplicates Z: 12 7.988 1.731 0.588 0.447 0.909 0.818 CB 1.017 12 residues pruned to eliminate duplicates Z: 15 11.916 1.896 0.432 0.451 0.929 0.429 CB 1.329 15 residues pruned to eliminate duplicates Z: 6 5.228 1.911 0.420 0.391 0.800 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 8 5.231 1.922 0.295 0.337 0.857 0.429 CB 1.107 8 residues pruned to eliminate duplicates Z: 21 18.259 1.947 0.390 0.554 0.950 0.600 CA 1.506 21 residues pruned to eliminate duplicates Z: 43 26.790 1.987 0.668 0.449 0.881 0.500 CA 1.492 43 residues pruned to eliminate duplicates Z: 7 4.852 1.756 0.172 0.682 0.833 0.333 CA 0.977 7 residues pruned to eliminate duplicates Z: 24 20.298 2.142 0.769 0.368 0.957 0.565 CB 1.345 24 residues pruned to eliminate duplicates Z: 6 9.758 1.960 0.834 0.629 0.800 0.800 CA 1.345 6 residues pruned to eliminate duplicates Z: 36 17.665 2.025 0.436 0.383 0.800 0.486 CB 1.454 36 residues pruned to eliminate duplicates Z: 8 6.477 1.858 0.375 0.510 0.714 0.571 N 1.328 8 residues pruned to eliminate duplicates Z: 25 25.762 2.217 0.713 0.475 0.917 0.667 CB 1.549 25 residues pruned to eliminate duplicates Z: 8 2.823 1.941 -0.155 0.207 0.857 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 7 6.966 1.806 0.124 0.563 1.000 1.000 CB 1.318 7 residues pruned to eliminate duplicates Z: 6 4.227 1.527 0.281 0.592 0.800 0.600 CA 1.106 Z: 9 11.430 1.872 0.135 0.672 1.000 0.750 C 1.623 9 residues pruned to eliminate duplicates Z: 6 8.458 1.771 0.572 0.556 1.000 0.800 CA 1.287 6 residues pruned to eliminate duplicates Z: 17 16.356 1.970 0.331 0.763 0.938 0.750 CA 1.317 17 residues pruned to eliminate duplicates Z: 13 15.288 1.954 0.453 0.882 1.000 0.750 CB 1.125 13 residues pruned to eliminate duplicates Z: 6 4.397 1.520 0.207 0.565 1.000 0.400 CB 1.006 Z: 52 21.234 1.938 0.366 0.373 0.902 0.510 CB 1.427 52 residues pruned to eliminate duplicates Z: 18 7.204 1.697 0.280 0.404 0.765 0.353 CB 1.164 18 residues pruned to eliminate duplicates Z: 9 14.377 1.863 0.950 0.847 1.000 0.375 CA 1.039 9 residues pruned to eliminate duplicates Z: 11 11.700 2.137 0.560 0.466 0.900 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 30 24.266 2.010 0.374 0.689 0.966 0.690 CA 1.421 30 residues pruned to eliminate duplicates Z: 81 41.428 2.146 0.522 0.522 0.938 0.550 CB 1.479 81 residues pruned to eliminate duplicates Z: 7 4.340 1.833 -0.015 0.338 0.833 0.500 CB 1.405 7 residues pruned to eliminate duplicates Z: 7 5.560 1.400 0.531 0.572 0.833 0.667 CB 1.185 Z: 27 11.484 1.930 0.294 0.349 0.808 0.538 CB 1.316 27 residues pruned to eliminate duplicates Z: 28 16.981 1.901 0.357 0.441 0.926 0.593 CB 1.454 30 residues pruned to eliminate duplicates Z: 15 18.555 2.096 0.473 0.857 0.929 0.500 CB 1.275 15 residues pruned to eliminate duplicates Z: 73 35.377 2.043 0.552 0.521 0.889 0.542 CA 1.448 74 residues pruned to eliminate duplicates Z: 22 11.597 1.788 0.384 0.479 0.905 0.619 CB 1.154 19 residues pruned to eliminate duplicates Z: 8 11.133 1.919 0.294 0.838 1.000 0.857 CA 1.266 8 residues pruned to eliminate duplicates Z: 6 5.036 1.505 0.428 0.563 0.800 0.400 C 1.232 Z: 6 5.342 1.666 -0.154 0.653 1.000 0.800 C 1.469 Z: 8 10.571 1.944 0.481 0.774 0.857 0.571 CA 1.271 8 residues pruned to eliminate duplicates Z: 9 13.835 1.897 0.400 0.855 1.000 0.875 CA 1.359 9 residues pruned to eliminate duplicates Z: 6 4.256 1.623 0.401 0.554 0.800 0.400 O 0.992 Z: 10 6.161 1.766 0.530 0.365 0.667 0.444 CA 1.318 10 residues pruned to eliminate duplicates Z: 60 34.329 2.157 0.592 0.477 0.864 0.441 CB 1.541 60 residues pruned to eliminate duplicates Z: 6 5.213 1.646 -0.210 0.692 1.000 0.600 C 1.505 Z: 11 10.587 1.962 0.309 0.639 0.800 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 11 10.730 1.968 0.521 0.529 0.900 0.800 CA 1.224 11 residues pruned to eliminate duplicates Z: 16 14.500 2.040 0.480 0.500 0.933 0.733 CA 1.328 16 residues pruned to eliminate duplicates Z: 8 2.317 1.843 -0.444 0.428 0.857 0.571 CB 1.075 8 residues pruned to eliminate duplicates Z: 53 25.182 1.958 0.345 0.500 0.923 0.615 CB 1.438 53 residues pruned to eliminate duplicates Z: 13 7.511 1.847 0.363 0.465 0.750 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 7 4.733 1.621 0.032 0.551 1.000 0.667 CB 1.099 Z: 11 8.468 1.566 0.449 0.678 0.900 0.400 CA 1.113 11 residues pruned to eliminate duplicates Z: 11 11.223 1.736 0.508 0.782 1.000 0.800 CA 1.058 11 residues pruned to eliminate duplicates Z: 14 8.859 1.810 0.490 0.545 0.923 0.692 CB 0.945 14 residues pruned to eliminate duplicates Z: 48 16.581 1.886 0.316 0.395 0.830 0.511 CB 1.313 48 residues pruned to eliminate duplicates Z: 57 22.258 1.927 0.369 0.432 0.911 0.554 CB 1.329 57 residues pruned to eliminate duplicates Z: 28 23.773 2.143 0.637 0.469 0.926 0.593 CB 1.453 28 residues pruned to eliminate duplicates Z: 27 12.585 1.788 0.409 0.364 0.846 0.346 CB 1.340 27 residues pruned to eliminate duplicates Z: 9 5.786 1.659 0.399 0.504 0.875 0.625 CB 1.004 9 residues pruned to eliminate duplicates Z: 6 5.395 1.834 0.109 0.670 1.000 0.800 CB 1.014 Z: 14 12.279 1.989 0.582 0.592 0.846 0.615 CB 1.171 14 residues pruned to eliminate duplicates Z: 29 18.827 2.005 0.415 0.521 0.929 0.607 CA 1.322 29 residues pruned to eliminate duplicates Z: 21 11.502 1.958 0.340 0.490 0.750 0.600 CB 1.320 21 residues pruned to eliminate duplicates Z: 35 21.618 1.886 0.542 0.543 0.853 0.471 CB 1.433 35 residues pruned to eliminate duplicates Z: 16 14.005 2.028 0.365 0.488 1.000 0.600 CB 1.323 16 residues pruned to eliminate duplicates Z: 18 9.411 1.631 0.606 0.381 0.824 0.529 CA 1.201 6 residues pruned to eliminate duplicates Z: 18 26.398 2.052 0.453 0.888 1.000 0.588 CB 1.548 18 residues pruned to eliminate duplicates Z: 11 3.702 1.465 0.143 0.265 0.900 0.400 CB 1.015 Z: 17 24.323 1.966 0.785 0.863 1.000 0.562 CA 1.271 17 residues pruned to eliminate duplicates Z: 11 22.603 2.150 0.625 0.786 1.000 1.000 CB 1.590 11 residues pruned to eliminate duplicates Z: 9 3.028 1.324 0.591 0.398 0.875 0.500 CB 0.647 Z: 23 15.446 2.033 0.564 0.435 0.727 0.636 CB 1.524 23 residues pruned to eliminate duplicates Z: 14 7.291 1.853 0.365 0.464 0.692 0.462 CB 1.198 14 residues pruned to eliminate duplicates Z: 6 9.620 1.486 0.687 0.801 1.000 0.800 CA 1.320 Z: 11 7.428 1.962 0.397 0.496 0.900 0.800 CA 0.956 11 residues pruned to eliminate duplicates Z: 11 8.671 1.977 0.297 0.430 0.800 0.500 CB 1.437 11 residues pruned to eliminate duplicates Z: 27 17.542 1.932 0.588 0.474 0.885 0.615 CA 1.302 27 residues pruned to eliminate duplicates Z: 26 27.885 2.163 0.684 0.598 0.920 0.480 CA 1.515 26 residues pruned to eliminate duplicates Z: 9 6.180 1.664 0.293 0.614 0.750 0.500 CA 1.215 11 residues pruned to eliminate duplicates Z: 8 13.446 2.196 0.722 0.381 0.857 0.571 CB 1.779 8 residues pruned to eliminate duplicates Z: 12 6.980 1.859 0.137 0.346 0.909 0.636 CB 1.295 12 residues pruned to eliminate duplicates Z: 9 17.097 1.755 0.935 0.835 1.000 0.750 CA 1.334 9 residues pruned to eliminate duplicates Z: 8 11.815 1.926 0.337 0.846 0.857 0.571 CA 1.503 8 residues pruned to eliminate duplicates Z: 29 11.620 1.887 0.270 0.367 0.893 0.536 CB 1.183 29 residues pruned to eliminate duplicates Z: 26 9.171 1.771 0.219 0.465 0.840 0.640 CB 1.049 26 residues pruned to eliminate duplicates Z: 18 10.099 1.811 0.373 0.443 0.824 0.471 CB 1.269 18 residues pruned to eliminate duplicates Z: 6 4.117 1.881 -0.039 0.445 0.800 0.400 CA 1.347 6 residues pruned to eliminate duplicates 6 1.019 1.310 0.700 0.465 0.800 0.600 CB 0.265 ? Z: 12 8.575 1.658 0.803 0.411 0.818 0.545 N 1.161 12 residues pruned to eliminate duplicates Z: 53 21.863 1.937 0.264 0.440 0.885 0.577 CB 1.489 53 residues pruned to eliminate duplicates Z: 9 2.790 1.548 0.151 0.591 0.750 0.625 CB 0.677 9 residues pruned to eliminate duplicates Z: 42 33.748 2.063 0.616 0.656 0.902 0.585 CB 1.515 42 residues pruned to eliminate duplicates Z: 13 7.989 1.805 0.444 0.308 0.917 0.417 CA 1.194 13 residues pruned to eliminate duplicates Z: 10 7.728 1.846 0.197 0.515 1.000 0.667 CA 1.148 10 residues pruned to eliminate duplicates Z: 29 16.196 1.954 0.477 0.406 0.857 0.464 CA 1.366 29 residues pruned to eliminate duplicates Z: 9 3.112 1.786 0.133 0.404 0.625 0.375 CB 0.962 9 residues pruned to eliminate duplicates Z: 31 14.699 1.935 0.207 0.400 0.933 0.600 CA 1.368 31 residues pruned to eliminate duplicates Z: 16 16.912 1.914 0.750 0.792 0.867 0.400 CA 1.164 16 residues pruned to eliminate duplicates Z: 11 4.153 1.543 0.587 0.208 0.800 0.300 CB 0.946 11 residues pruned to eliminate duplicates Z: 7 2.794 1.509 0.113 0.317 0.667 0.333 CB 1.246 Z: 6 4.803 1.700 0.820 0.658 0.800 0.800 N 0.749 Z: 19 21.478 1.959 0.602 0.892 0.944 0.667 CA 1.227 19 residues pruned to eliminate duplicates Z: 20 27.287 2.021 0.485 0.905 1.000 0.842 CB 1.485 Z: 8 9.707 1.791 0.192 0.850 1.000 0.571 CA 1.273 8 residues pruned to eliminate duplicates 6 1.313 1.368 0.191 0.436 0.800 0.400 CB 0.481 ? Z: 28 20.312 2.129 0.619 0.385 0.889 0.444 CB 1.441 28 residues pruned to eliminate duplicates Z: 8 5.076 1.554 0.219 0.504 0.857 0.571 CA 1.176 7 residues pruned to eliminate duplicates Z: 20 20.852 2.165 0.893 0.364 0.842 0.474 CB 1.604 20 residues pruned to eliminate duplicates Z: 6 3.938 1.508 0.272 0.547 0.800 0.800 CA 1.096 Z: 6 2.834 1.525 0.619 0.690 0.800 0.800 CB 0.540 Z: 48 20.285 1.941 0.465 0.396 0.830 0.574 CB 1.399 48 residues pruned to eliminate duplicates Z: 55 19.943 1.984 0.297 0.409 0.815 0.537 CB 1.424 55 residues pruned to eliminate duplicates Z: 14 11.052 1.763 0.415 0.535 0.923 0.846 CA 1.286 13 residues pruned to eliminate duplicates Z: 55 33.713 1.950 0.619 0.564 0.963 0.685 CA 1.418 55 residues pruned to eliminate duplicates Z: 6 2.328 1.575 0.184 0.292 0.600 0.600 O 1.175 6 residues pruned to eliminate duplicates Z: 6 2.801 1.330 0.205 0.577 0.800 0.600 N 0.908 Z: 9 9.367 1.573 0.598 0.895 1.000 0.750 CA 0.944 9 residues pruned to eliminate duplicates Z: 8 7.842 1.628 0.427 0.890 0.857 0.429 CA 1.071 8 residues pruned to eliminate duplicates Z: 17 10.203 1.655 0.508 0.461 0.875 0.688 CA 1.216 17 residues pruned to eliminate duplicates Z: 27 13.214 1.910 0.187 0.410 0.962 0.615 CA 1.305 27 residues pruned to eliminate duplicates Z: 11 11.674 1.804 0.530 0.576 0.900 0.700 CB 1.382 Z: 31 39.271 2.236 0.625 0.755 1.000 0.767 CA 1.572 31 residues pruned to eliminate duplicates Z: 53 23.437 1.973 0.443 0.396 0.865 0.558 CB 1.472 53 residues pruned to eliminate duplicates Z: 21 14.077 1.898 0.369 0.536 0.950 0.650 CB 1.231 21 residues pruned to eliminate duplicates Z: 23 12.223 1.928 0.378 0.416 0.864 0.545 CB 1.240 23 residues pruned to eliminate duplicates Z: 18 25.620 2.043 0.665 0.911 0.941 0.706 CB 1.375 18 residues pruned to eliminate duplicates Z: 11 9.053 1.706 0.465 0.611 0.900 0.600 CB 1.146 11 residues pruned to eliminate duplicates Z: 21 22.345 1.905 0.455 0.834 0.950 0.550 CA 1.421 21 residues pruned to eliminate duplicates Z: 13 14.321 2.070 0.781 0.475 0.833 0.583 CA 1.379 13 residues pruned to eliminate duplicates Z: 19 26.222 2.087 0.535 0.913 0.944 0.833 CB 1.445 19 residues pruned to eliminate duplicates Z: 8 3.373 1.573 0.184 0.327 0.857 0.571 CB 0.965 Z: 62 24.653 1.980 0.367 0.413 0.902 0.492 CA 1.416 62 residues pruned to eliminate duplicates Z: 6 9.215 1.823 0.902 0.622 0.800 0.800 CA 1.324 8 residues pruned to eliminate duplicates Z: 29 21.377 2.093 0.668 0.490 0.893 0.607 CB 1.309 29 residues pruned to eliminate duplicates Z: 8 7.700 1.958 0.226 0.406 0.857 0.571 CB 1.562 8 residues pruned to eliminate duplicates Z: 10 3.211 1.445 0.472 0.378 0.667 0.333 CB 0.860 10 residues pruned to eliminate duplicates Z: 10 7.245 1.671 0.454 0.480 0.778 0.667 CB 1.305 6 1.432 1.170 0.116 0.609 0.800 0.600 N 0.553 ? Z: 13 6.085 1.893 0.345 0.229 0.750 0.417 CB 1.262 13 residues pruned to eliminate duplicates Z: 27 17.856 2.011 0.622 0.362 0.846 0.500 CA 1.472 27 residues pruned to eliminate duplicates Z: 12 14.887 2.017 0.535 0.505 1.000 0.636 CB 1.443 22 residues pruned to eliminate duplicates Z: 25 20.419 2.012 0.497 0.565 0.917 0.583 CA 1.418 25 residues pruned to eliminate duplicates Z: 42 20.204 1.973 0.379 0.447 0.854 0.537 CB 1.434 42 residues pruned to eliminate duplicates Z: 24 30.494 2.244 0.627 0.676 1.000 0.739 CA 1.482 24 residues pruned to eliminate duplicates Z: 13 8.994 1.947 -0.010 0.440 0.917 0.583 CA 1.563 13 residues pruned to eliminate duplicates Z: 10 3.225 1.490 0.727 0.294 0.667 0.333 CB 0.789 Z: 14 4.831 1.613 0.080 0.320 0.769 0.615 CA 1.219 14 residues pruned to eliminate duplicates Z: 12 5.155 1.743 0.266 0.367 0.818 0.455 CB 0.992 Z: 7 4.753 1.471 0.362 0.570 0.833 0.333 N 1.086 Z: 60 21.520 1.947 0.260 0.426 0.881 0.610 CB 1.400 60 residues pruned to eliminate duplicates Z: 10 10.122 1.920 0.539 0.400 0.889 0.444 CB 1.427 10 residues pruned to eliminate duplicates Z: 42 28.747 2.057 0.590 0.585 0.878 0.512 CA 1.440 42 residues pruned to eliminate duplicates Z: 7 6.542 1.960 0.418 0.465 0.833 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 38 17.665 1.892 0.376 0.449 0.919 0.622 CB 1.279 38 residues pruned to eliminate duplicates Z: 10 9.876 1.868 0.633 0.859 0.889 0.444 CB 0.893 10 residues pruned to eliminate duplicates Z: 6 2.681 1.609 0.289 0.295 0.600 0.400 CB 1.212 Z: 15 9.964 1.940 0.178 0.472 0.857 0.500 CA 1.398 15 residues pruned to eliminate duplicates Z: 25 13.695 1.874 0.494 0.363 0.875 0.625 CA 1.322 24 residues pruned to eliminate duplicates Z: 11 4.801 1.565 0.359 0.363 0.700 0.500 CA 1.182 11 residues pruned to eliminate duplicates Z: 7 2.167 1.371 0.129 0.244 0.833 0.500 CA 0.922 Z: 6 2.698 1.343 0.902 0.351 0.800 0.400 C 0.693 Z: 27 18.046 1.984 0.662 0.403 0.846 0.423 CA 1.405 27 residues pruned to eliminate duplicates Z: 6 4.146 1.490 0.096 0.668 1.000 0.800 CB 0.972 Z: 8 5.774 1.857 0.230 0.374 0.857 0.571 CB 1.275 8 residues pruned to eliminate duplicates Z: 12 13.868 2.019 0.294 0.755 0.909 0.727 CB 1.402 12 residues pruned to eliminate duplicates 7 1.729 1.526 0.153 0.469 0.833 0.500 CB 0.497 ? Z: 21 17.206 2.049 0.553 0.526 0.850 0.700 CB 1.387 21 residues pruned to eliminate duplicates Z: 7 2.169 1.445 0.814 0.143 0.833 0.500 CB 0.630 Z: 19 18.718 1.827 0.508 0.909 1.000 0.889 CA 1.137 19 residues pruned to eliminate duplicates Z: 17 19.596 2.071 0.221 0.878 1.000 0.750 CB 1.406 17 residues pruned to eliminate duplicates Z: 9 5.413 1.640 0.427 0.599 0.875 0.625 N 0.851 Z: 54 20.290 1.931 0.341 0.421 0.849 0.585 CB 1.377 54 residues pruned to eliminate duplicates Z: 15 16.883 2.031 0.235 0.888 0.929 0.786 CB 1.396 15 residues pruned to eliminate duplicates Z: 8 4.082 1.680 0.197 0.504 0.571 0.571 O 1.338 8 residues pruned to eliminate duplicates Z: 6 4.321 1.515 0.069 0.848 1.000 0.400 CA 0.884 6 residues pruned to eliminate duplicates Z: 6 8.545 1.985 0.038 0.743 1.000 0.800 CA 1.492 Z: 12 7.769 1.652 0.243 0.830 1.000 0.818 CA 0.858 12 residues pruned to eliminate duplicates Z: 7 8.375 1.774 0.277 0.650 1.000 0.667 CB 1.313 8 residues pruned to eliminate duplicates Z: 6 2.246 1.197 0.392 0.233 1.000 0.400 C 0.823 Z: 9 6.423 1.621 0.507 0.545 1.000 0.625 CB 0.890 Z: 7 11.648 1.861 0.641 0.856 1.000 0.833 CA 1.148 7 residues pruned to eliminate duplicates Z: 28 10.977 1.930 0.281 0.327 0.778 0.519 CB 1.329 28 residues pruned to eliminate duplicates Z: 75 47.077 2.165 0.633 0.550 0.932 0.527 CB 1.581 75 residues pruned to eliminate duplicates Z: 10 5.040 1.622 0.738 0.390 0.778 0.556 CB 0.861 6 residues pruned to eliminate duplicates Z: 6 2.894 1.747 -0.003 0.488 0.800 0.800 CB 0.940 Z: 9 2.697 1.399 0.327 0.184 0.750 0.375 O 1.001 9 residues pruned to eliminate duplicates Z: 20 13.629 2.023 0.311 0.536 0.895 0.684 CA 1.272 20 residues pruned to eliminate duplicates Z: 26 20.357 2.148 0.669 0.356 0.920 0.560 CB 1.442 26 residues pruned to eliminate duplicates Z: 14 11.268 1.657 0.693 0.428 0.846 0.769 CB 1.419 14 residues pruned to eliminate duplicates Z: 7 3.007 1.686 0.618 0.391 0.667 0.500 CB 0.758 Z: 23 18.094 1.918 0.380 0.587 0.955 0.818 CA 1.404 23 residues pruned to eliminate duplicates Z: 12 6.425 1.691 0.407 0.328 0.909 0.364 CB 1.081 12 residues pruned to eliminate duplicates Z: 7 3.987 1.503 0.479 0.239 0.833 0.500 CB 1.189 Z: 11 8.508 1.962 0.703 0.237 0.900 0.400 CA 1.215 11 residues pruned to eliminate duplicates Z: 10 5.818 1.628 0.363 0.729 0.778 0.556 CB 0.914 7 residues pruned to eliminate duplicates Z: 8 5.118 1.784 0.300 0.429 0.714 0.571 CB 1.256 6 residues pruned to eliminate duplicates Z: 13 8.424 1.972 0.535 0.418 0.833 0.750 CB 1.050 13 residues pruned to eliminate duplicates Z: 24 6.964 1.715 0.100 0.301 0.783 0.522 CB 1.227 24 residues pruned to eliminate duplicates Z: 6 4.750 1.830 -0.310 0.714 1.000 0.800 C 1.386 6 residues pruned to eliminate duplicates Z: 6 3.939 1.618 0.118 0.564 0.800 0.400 N 1.144 Z: 6 6.445 1.831 0.767 0.523 0.800 0.800 CB 1.089 7 residues pruned to eliminate duplicates Z: 19 19.030 1.998 0.507 0.593 0.944 0.611 CA 1.444 19 residues pruned to eliminate duplicates Z: 17 20.259 1.994 0.468 0.737 0.938 0.688 CB 1.492 17 residues pruned to eliminate duplicates Z: 26 15.770 2.028 0.328 0.509 0.840 0.640 CA 1.382 26 residues pruned to eliminate duplicates Z: 11 11.100 1.716 0.512 0.860 1.000 0.800 CA 0.995 11 residues pruned to eliminate duplicates Z: 23 20.623 1.953 0.510 0.632 0.955 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 6 3.544 1.625 0.629 0.281 0.800 0.400 CB 0.959 6 1.606 1.137 0.226 0.286 1.000 0.400 O 0.656 ? Z: 13 11.635 2.022 0.100 0.760 1.000 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 12 8.486 1.825 0.487 0.348 0.909 0.636 CA 1.223 12 residues pruned to eliminate duplicates Z: 7 6.674 1.637 0.602 0.722 1.000 0.500 CB 0.850 7 residues pruned to eliminate duplicates Z: 29 17.448 2.019 0.657 0.359 0.786 0.429 CB 1.460 29 residues pruned to eliminate duplicates Z: 65 25.459 1.938 0.404 0.419 0.906 0.531 CA 1.404 65 residues pruned to eliminate duplicates Z: 15 11.643 1.841 0.496 0.491 0.929 0.714 CB 1.228 15 residues pruned to eliminate duplicates Z: 8 10.800 1.725 0.440 0.698 1.000 0.857 CB 1.372 8 residues pruned to eliminate duplicates Z: 23 12.862 1.827 0.388 0.574 0.909 0.500 CA 1.107 23 residues pruned to eliminate duplicates Z: 10 9.652 1.853 0.324 0.608 0.889 0.556 CA 1.332 10 residues pruned to eliminate duplicates Z: 9 4.758 1.648 0.586 0.291 0.625 0.250 C 1.301 Z: 10 5.225 1.397 0.698 0.367 0.889 0.667 CA 0.952 Z: 23 17.314 1.876 0.663 0.574 0.864 0.364 CA 1.275 23 residues pruned to eliminate duplicates Z: 22 9.427 1.892 0.181 0.299 0.857 0.619 CA 1.345 22 residues pruned to eliminate duplicates Z: 41 31.453 2.008 0.627 0.621 0.950 0.525 CA 1.429 41 residues pruned to eliminate duplicates Z: 61 25.871 1.973 0.310 0.455 0.967 0.467 CA 1.401 61 residues pruned to eliminate duplicates Z: 63 29.875 2.021 0.476 0.508 0.903 0.548 CA 1.397 63 residues pruned to eliminate duplicates Z: 19 8.917 1.940 0.280 0.362 0.722 0.611 CA 1.360 19 residues pruned to eliminate duplicates Z: 21 17.050 1.925 0.455 0.556 0.900 0.650 CB 1.431 21 residues pruned to eliminate duplicates Z: 14 8.639 1.823 0.355 0.547 0.846 0.692 CA 1.095 14 residues pruned to eliminate duplicates Z: 6 6.632 1.644 0.297 0.739 1.000 0.600 N 1.123 Z: 6 2.145 1.118 0.186 0.430 1.000 0.800 O 0.778 Z: 9 9.750 1.912 0.254 0.761 0.875 0.750 CB 1.302 9 residues pruned to eliminate duplicates Z: 21 12.527 1.833 0.475 0.476 0.900 0.550 CB 1.180 21 residues pruned to eliminate duplicates Z: 22 15.658 1.825 0.590 0.587 0.905 0.524 CB 1.197 22 residues pruned to eliminate duplicates Z: 7 2.309 1.231 0.379 0.242 0.833 0.500 CA 0.898 Z: 6 3.136 1.699 0.079 0.294 0.800 0.600 CA 1.206 Z: 18 21.893 1.911 0.775 0.889 0.941 0.529 CB 1.197 18 residues pruned to eliminate duplicates Z: 49 19.338 1.948 0.311 0.377 0.896 0.583 CA 1.391 49 residues pruned to eliminate duplicates Z: 11 6.666 1.499 0.202 0.624 1.000 0.600 CA 1.041 11 residues pruned to eliminate duplicates Z: 13 15.686 1.930 0.682 0.797 0.833 0.750 CA 1.290 13 residues pruned to eliminate duplicates Z: 9 5.027 1.581 0.365 0.425 0.875 0.875 CB 1.018 Z: 41 18.441 2.006 0.446 0.377 0.850 0.550 CA 1.348 42 residues pruned to eliminate duplicates Z: 6 4.599 1.606 0.589 0.469 1.000 1.000 CA 0.832 5 residues pruned to eliminate duplicates Z: 27 10.574 1.825 0.323 0.359 0.846 0.462 CB 1.182 27 residues pruned to eliminate duplicates Z: 6 2.103 1.489 0.222 0.212 1.000 0.800 CB 0.726 Z: 71 39.548 2.090 0.712 0.487 0.900 0.543 CA 1.486 133 residues pruned to eliminate duplicates Z: 15 16.791 1.921 0.721 0.497 0.929 0.714 CA 1.466 14 residues pruned to eliminate duplicates Z: 16 11.709 1.983 0.361 0.463 0.800 0.467 CA 1.455 16 residues pruned to eliminate duplicates Z: 6 3.190 1.582 0.065 0.627 0.800 0.800 N 0.940 Z: 7 2.500 1.411 0.659 0.501 0.833 0.333 CB 0.523 6 0.484 1.494 0.483 0.538 0.400 0.400 CB 0.235 ? Z: 18 23.030 1.917 0.787 0.868 1.000 0.647 CA 1.192 18 residues pruned to eliminate duplicates Z: 8 6.505 1.711 0.214 0.387 1.000 0.571 CA 1.334 8 residues pruned to eliminate duplicates Z: 47 40.989 2.214 0.587 0.647 0.957 0.565 CB 1.567 47 residues pruned to eliminate duplicates Z: 6 3.758 1.377 0.468 0.499 0.800 0.600 N 1.041 Z: 60 24.867 1.952 0.340 0.438 0.932 0.508 CB 1.416 60 residues pruned to eliminate duplicates Z: 7 2.059 1.540 0.135 0.536 0.833 0.667 CB 0.557 Z: 9 3.524 1.440 0.125 0.412 0.750 0.500 CB 1.124 9 residues pruned to eliminate duplicates Z: 6 3.517 1.173 0.801 0.529 0.800 0.600 N 0.904 5 residues pruned to eliminate duplicates Z: 10 8.528 1.724 0.271 0.505 0.889 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 7 5.646 1.786 0.189 0.548 0.833 0.667 N 1.243 Z: 10 4.477 2.021 0.237 0.288 0.778 0.444 CA 0.974 10 residues pruned to eliminate duplicates Z: 7 9.850 1.826 0.428 0.700 0.833 0.833 CB 1.542 7 residues pruned to eliminate duplicates Z: 22 34.032 1.999 0.759 0.948 1.000 0.810 CB 1.458 22 residues pruned to eliminate duplicates Z: 13 3.426 1.563 0.280 0.284 0.667 0.583 CB 0.946 13 residues pruned to eliminate duplicates Z: 23 16.337 2.093 0.626 0.379 0.818 0.409 CA 1.423 23 residues pruned to eliminate duplicates Z: 20 13.120 1.839 0.352 0.435 0.947 0.474 CA 1.367 20 residues pruned to eliminate duplicates 6 1.909 1.424 -0.023 0.396 0.800 0.400 CB 0.855 ? Z: 14 16.766 2.016 0.762 0.618 1.000 0.846 CB 1.172 14 residues pruned to eliminate duplicates Z: 7 9.124 1.765 0.374 0.757 1.000 0.833 CB 1.222 7 residues pruned to eliminate duplicates Z: 6 2.788 1.651 -0.049 0.459 0.800 0.400 CB 1.035 6 residues pruned to eliminate duplicates Z: 11 30.249 2.236 1.017 0.790 1.000 0.800 CA 1.644 11 residues pruned to eliminate duplicates Z: 17 10.043 1.853 0.240 0.442 0.875 0.500 CA 1.325 17 residues pruned to eliminate duplicates Z: 14 8.648 1.904 0.352 0.416 0.846 0.615 CA 1.201 14 residues pruned to eliminate duplicates Z: 7 2.445 1.247 0.320 0.452 0.667 0.500 CA 0.954 Z: 6 2.215 1.418 0.623 0.167 0.800 0.400 N 0.807 Z: 27 16.086 1.956 0.338 0.491 0.923 0.615 CB 1.318 27 residues pruned to eliminate duplicates Z: 43 37.504 2.228 0.458 0.725 1.000 0.643 CA 1.454 43 residues pruned to eliminate duplicates Z: 7 2.744 1.483 0.187 0.334 0.833 0.667 CB 0.916 Z: 10 4.560 1.763 0.522 0.598 0.778 0.778 CB 0.664 10 residues pruned to eliminate duplicates Z: 26 9.436 1.772 0.281 0.405 0.880 0.640 CB 1.045 26 residues pruned to eliminate duplicates Z: 9 3.601 1.566 0.022 0.394 0.750 0.625 CB 1.187 7 residues pruned to eliminate duplicates Z: 8 4.283 1.280 0.505 0.477 0.857 0.429 N 1.003 Z: 6 2.298 1.269 0.519 0.270 0.800 0.600 CB 0.865 Z: 14 12.669 1.934 0.566 0.462 0.923 0.692 CA 1.307 14 residues pruned to eliminate duplicates Z: 20 8.898 1.798 0.133 0.397 0.842 0.316 CA 1.327 20 residues pruned to eliminate duplicates Z: 7 3.924 1.397 0.800 0.535 0.833 0.500 N 0.739 4 residues pruned to eliminate duplicates Z: 9 7.978 1.725 0.678 0.554 0.625 0.500 CB 1.480 9 residues pruned to eliminate duplicates Z: 23 24.728 2.116 0.671 0.547 0.909 0.636 CA 1.567 Z: 11 10.606 1.752 0.607 0.765 0.900 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 14 24.502 1.962 0.838 0.839 1.000 0.846 CA 1.407 14 residues pruned to eliminate duplicates Z: 28 18.746 2.067 0.411 0.555 0.852 0.519 CB 1.376 28 residues pruned to eliminate duplicates Z: 19 10.066 1.740 0.444 0.400 0.889 0.333 CB 1.181 18 residues pruned to eliminate duplicates Z: 6 3.436 1.385 0.259 0.527 0.800 0.600 CA 1.072 Z: 10 6.928 1.517 0.381 0.832 1.000 0.333 CB 0.827 Z: 9 3.208 1.371 0.675 0.386 0.875 0.500 CB 0.637 Z: 6 4.885 1.434 0.269 0.600 1.000 0.600 CA 1.091 Z: 11 8.307 1.627 0.271 0.697 1.000 0.700 CA 1.062 11 residues pruned to eliminate duplicates Z: 11 7.852 1.800 0.508 0.381 0.900 0.700 CB 1.153 11 residues pruned to eliminate duplicates Z: 6 3.486 1.799 0.042 0.734 1.000 0.800 CB 0.673 Z: 14 12.916 2.076 0.566 0.311 0.846 0.615 CB 1.606 14 residues pruned to eliminate duplicates Z: 7 2.704 1.265 0.005 0.448 1.000 0.667 CB 0.917 Z: 18 12.647 1.999 0.384 0.463 0.824 0.412 CA 1.398 17 residues pruned to eliminate duplicates Z: 11 6.889 2.041 0.127 0.354 0.800 0.700 CA 1.387 11 residues pruned to eliminate duplicates Z: 77 42.820 2.178 0.623 0.560 0.908 0.605 CB 1.444 77 residues pruned to eliminate duplicates Z: 9 11.243 1.806 0.688 0.486 0.875 0.625 CA 1.510 9 residues pruned to eliminate duplicates Z: 13 15.792 2.081 0.492 0.515 1.000 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 22 15.422 2.030 0.513 0.412 0.762 0.524 CB 1.577 22 residues pruned to eliminate duplicates 6 0.848 1.302 -0.053 0.432 0.800 0.600 CB 0.412 ? Z: 8 2.447 1.558 0.688 0.209 0.429 0.143 C 1.158 8 residues pruned to eliminate duplicates Z: 8 3.009 1.584 0.399 0.265 0.857 0.286 CB 0.783 Z: 10 13.836 1.907 0.574 0.720 0.889 0.556 CB 1.417 10 residues pruned to eliminate duplicates Z: 6 3.006 1.493 0.714 0.482 0.800 0.600 CB 0.668 Z: 7 4.600 1.848 -0.077 0.358 0.833 0.667 CB 1.540 7 residues pruned to eliminate duplicates Z: 13 7.281 1.610 0.548 0.459 0.750 0.250 CB 1.172 13 residues pruned to eliminate duplicates Z: 6 2.143 1.361 -0.041 0.537 1.000 0.800 N 0.708 6 residues pruned to eliminate duplicates Z: 6 2.537 1.386 -0.147 0.564 1.000 0.600 C 0.902 Z: 6 4.152 1.606 0.223 0.408 0.800 0.600 O 1.301 6 residues pruned to eliminate duplicates Z: 12 12.035 1.956 0.461 0.426 0.909 0.636 CA 1.508 12 residues pruned to eliminate duplicates Z: 12 13.390 1.895 0.339 0.795 0.909 0.545 CA 1.351 12 residues pruned to eliminate duplicates Z: 10 8.928 1.646 0.550 0.775 0.889 0.667 CB 1.029 10 residues pruned to eliminate duplicates Z: 14 7.103 1.822 0.261 0.440 0.846 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 15 13.453 1.986 0.366 0.584 0.929 0.714 CB 1.317 15 residues pruned to eliminate duplicates Z: 33 26.223 2.102 0.641 0.429 0.938 0.469 CB 1.542 33 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.448 1.081 0.748 0.264 0.600 0.400 CA 0.747 ? Z: 7 4.412 1.483 0.592 0.447 0.833 0.333 C 0.966 7 residues pruned to eliminate duplicates Z: 12 10.874 1.825 0.449 0.462 0.909 0.818 CA 1.418 12 residues pruned to eliminate duplicates Z: 23 10.757 1.578 0.479 0.436 0.864 0.545 CA 1.215 20 residues pruned to eliminate duplicates Z: 6 4.125 1.571 0.834 0.310 0.800 0.800 N 0.988 6 residues pruned to eliminate duplicates Z: 14 8.718 1.928 0.497 0.233 0.846 0.385 CA 1.351 11 residues pruned to eliminate duplicates Z: 11 9.803 2.015 0.586 0.311 0.800 0.300 CA 1.494 11 residues pruned to eliminate duplicates Z: 15 10.830 2.100 0.572 0.375 0.857 0.571 CA 1.168 15 residues pruned to eliminate duplicates Z: 16 11.854 1.994 0.785 0.353 0.733 0.400 CA 1.374 16 residues pruned to eliminate duplicates Z: 15 12.750 2.055 0.448 0.408 0.929 0.571 CA 1.360 18 residues pruned to eliminate duplicates Z: 8 8.723 1.905 0.159 0.685 0.857 0.429 CB 1.470 8 residues pruned to eliminate duplicates Z: 21 10.300 1.886 0.345 0.460 0.800 0.450 CB 1.182 21 residues pruned to eliminate duplicates Z: 19 11.321 1.903 0.435 0.470 0.833 0.556 CB 1.208 19 residues pruned to eliminate duplicates Z: 21 12.310 1.899 0.297 0.465 0.950 0.450 CB 1.219 21 residues pruned to eliminate duplicates Z: 6 5.166 1.967 0.081 0.557 0.800 0.600 CB 1.285 6 residues pruned to eliminate duplicates Z: 21 11.252 1.865 0.407 0.460 0.850 0.600 CB 1.175 21 residues pruned to eliminate duplicates Z: 7 4.676 1.880 -0.078 0.549 0.833 0.667 CB 1.261 7 residues pruned to eliminate duplicates Z: 17 9.708 1.807 0.585 0.482 0.875 0.688 CB 0.987 16 residues pruned to eliminate duplicates Z: 7 6.783 1.955 0.358 0.333 1.000 0.500 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 6.028 1.928 0.295 0.228 1.000 0.429 CA 1.253 8 residues pruned to eliminate duplicates Z: 9 4.726 1.809 0.143 0.194 1.000 0.625 CA 1.164 9 residues pruned to eliminate duplicates Z: 11 3.881 1.684 0.173 0.166 0.800 0.300 CA 1.167 11 residues pruned to eliminate duplicates Z: 10 4.940 1.770 0.193 0.201 0.889 0.333 CB 1.252 10 residues pruned to eliminate duplicates Z: 62 26.718 1.975 0.406 0.452 0.934 0.508 CB 1.384 61 residues pruned to eliminate duplicates Z: 6 6.034 1.760 0.791 0.387 1.000 0.400 CA 0.965 6 residues pruned to eliminate duplicates Z: 14 7.603 1.804 0.313 0.211 0.923 0.385 CA 1.357 14 residues pruned to eliminate duplicates Z: 13 6.835 1.817 0.486 0.229 0.917 0.333 CA 1.094 13 residues pruned to eliminate duplicates Z: 56 24.131 1.985 0.364 0.422 0.909 0.636 CA 1.433 56 residues pruned to eliminate duplicates Z: 62 28.558 1.990 0.452 0.437 0.934 0.508 CA 1.446 62 residues pruned to eliminate duplicates Z: 6 4.910 1.718 0.386 0.343 1.000 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 31 15.931 1.906 0.277 0.429 0.900 0.567 CA 1.430 31 residues pruned to eliminate duplicates Z: 63 23.964 1.959 0.347 0.404 0.935 0.548 CA 1.364 62 residues pruned to eliminate duplicates Z: 6 4.749 1.797 0.107 0.565 0.800 0.400 CB 1.253 6 residues pruned to eliminate duplicates Z: 62 26.391 2.001 0.382 0.431 0.918 0.508 CA 1.429 62 residues pruned to eliminate duplicates Z: 52 27.074 2.035 0.315 0.496 0.941 0.667 CA 1.512 52 residues pruned to eliminate duplicates Z: 31 18.953 1.930 0.355 0.429 1.000 0.633 CB 1.424 31 residues pruned to eliminate duplicates Z: 42 19.393 1.926 0.271 0.433 0.927 0.537 CB 1.431 42 residues pruned to eliminate duplicates Z: 60 25.614 1.949 0.349 0.435 0.949 0.508 CB 1.429 60 residues pruned to eliminate duplicates Z: 16 13.841 2.089 0.159 0.491 1.000 0.667 CA 1.490 16 residues pruned to eliminate duplicates Z: 31 14.003 1.967 0.154 0.410 0.867 0.400 CB 1.427 31 residues pruned to eliminate duplicates Z: 60 26.609 2.010 0.311 0.458 0.949 0.508 CA 1.445 60 residues pruned to eliminate duplicates Z: 28 17.665 2.062 0.248 0.516 0.926 0.556 CA 1.404 28 residues pruned to eliminate duplicates Z: 54 24.472 2.007 0.262 0.458 0.925 0.585 CA 1.498 54 residues pruned to eliminate duplicates Z: 62 24.691 1.995 0.340 0.417 0.885 0.574 CA 1.456 62 residues pruned to eliminate duplicates Z: 41 23.758 2.007 0.296 0.508 0.975 0.575 CB 1.469 41 residues pruned to eliminate duplicates Z: 30 18.749 2.069 0.274 0.466 0.931 0.483 CA 1.468 30 residues pruned to eliminate duplicates Z: 62 26.221 1.990 0.325 0.431 0.934 0.475 CB 1.464 62 residues pruned to eliminate duplicates Z: 64 28.446 1.953 0.415 0.439 0.952 0.508 CB 1.450 63 residues pruned to eliminate duplicates Z: 6 3.553 1.656 0.509 0.370 1.000 0.400 CA 0.731 6 residues pruned to eliminate duplicates Z: 59 24.718 2.011 0.305 0.401 0.948 0.517 CA 1.447 59 residues pruned to eliminate duplicates Z: 50 25.384 2.029 0.384 0.444 0.918 0.592 CA 1.490 50 residues pruned to eliminate duplicates Z: 24 19.889 2.067 0.408 0.530 1.000 0.565 CA 1.383 24 residues pruned to eliminate duplicates Z: 31 18.117 1.985 0.292 0.474 0.900 0.500 CA 1.472 31 residues pruned to eliminate duplicates Z: 54 25.803 1.994 0.343 0.487 0.925 0.585 CA 1.451 54 residues pruned to eliminate duplicates Z: 63 25.304 1.966 0.351 0.411 0.935 0.484 CA 1.418 63 residues pruned to eliminate duplicates Z: 12 6.493 1.535 0.672 0.363 0.818 0.364 N 1.081 4 residues pruned to eliminate duplicates Z: 6 4.083 1.805 0.445 0.432 0.800 0.200 CA 0.939 6 residues pruned to eliminate duplicates Z: 45 24.240 1.948 0.424 0.449 0.932 0.523 CA 1.490 45 residues pruned to eliminate duplicates Z: 23 10.446 1.880 0.338 0.321 0.818 0.500 CB 1.318 21 residues pruned to eliminate duplicates 6 1.874 1.402 0.485 0.165 0.800 0.400 CA 0.756 ? Z: 6 2.649 1.313 0.553 0.455 1.000 0.800 N 0.608 6 residues pruned to eliminate duplicates Z: 15 11.851 2.008 0.375 0.423 0.929 0.571 CA 1.338 15 residues pruned to eliminate duplicates Z: 16 11.615 1.978 0.239 0.434 0.933 0.533 CA 1.404 16 residues pruned to eliminate duplicates Z: 18 11.189 2.031 0.375 0.416 0.765 0.412 CA 1.386 18 residues pruned to eliminate duplicates Z: 17 14.060 2.016 0.371 0.380 1.000 0.438 CA 1.446 19 residues pruned to eliminate duplicates Z: 16 12.075 2.011 0.391 0.393 0.867 0.533 CA 1.441 16 residues pruned to eliminate duplicates Z: 18 11.017 1.930 0.304 0.308 0.882 0.412 CB 1.490 18 residues pruned to eliminate duplicates Z: 20 12.310 1.971 0.369 0.382 0.842 0.368 CA 1.409 20 residues pruned to eliminate duplicates Z: 21 10.428 1.946 0.258 0.350 0.800 0.400 CA 1.401 21 residues pruned to eliminate duplicates Z: 19 11.841 1.930 0.332 0.409 0.889 0.444 CA 1.344 19 residues pruned to eliminate duplicates Z: 18 12.505 2.029 0.246 0.369 0.941 0.353 CA 1.467 18 residues pruned to eliminate duplicates Z: 21 12.949 1.947 0.360 0.376 0.850 0.400 CA 1.470 19 residues pruned to eliminate duplicates Z: 8 6.339 1.569 0.272 0.580 1.000 0.429 CA 1.111 8 residues pruned to eliminate duplicates Z: 6 6.849 1.624 0.832 0.324 1.000 0.400 CA 1.249 6 residues pruned to eliminate duplicates Z: 10 7.806 1.805 0.089 0.544 0.889 0.444 CA 1.426 10 residues pruned to eliminate duplicates Z: 10 11.101 1.851 0.214 0.629 1.000 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 8 7.474 1.705 0.648 0.578 1.000 0.429 CB 0.932 12 residues pruned to eliminate duplicates Z: 7 6.790 1.671 0.454 0.650 1.000 0.500 CA 0.992 7 residues pruned to eliminate duplicates Z: 8 3.974 1.760 0.267 0.437 0.714 0.429 CB 1.007 8 residues pruned to eliminate duplicates Z: 13 6.658 1.702 0.513 0.338 0.917 0.417 CB 0.971 9 residues pruned to eliminate duplicates Z: 6 4.354 1.845 0.713 0.372 0.800 0.400 CA 0.883 6 residues pruned to eliminate duplicates Z: 14 7.200 1.679 0.524 0.411 0.923 0.538 CB 0.928 14 residues pruned to eliminate duplicates Z: 12 5.151 1.808 0.503 0.128 0.727 0.273 CA 1.251 12 residues pruned to eliminate duplicates Z: 14 5.505 1.792 0.289 0.264 0.769 0.538 CB 1.125 14 residues pruned to eliminate duplicates Z: 11 5.185 1.791 0.390 0.274 0.700 0.300 CA 1.217 11 residues pruned to eliminate duplicates Z: 9 7.300 1.950 0.336 0.304 0.875 0.250 CB 1.408 9 residues pruned to eliminate duplicates Z: 16 8.530 1.670 0.603 0.339 0.800 0.333 CA 1.226 16 residues pruned to eliminate duplicates Z: 26 15.096 1.963 0.422 0.362 0.920 0.640 CA 1.363 26 residues pruned to eliminate duplicates Z: 31 12.382 1.895 0.430 0.281 0.833 0.500 CB 1.282 31 residues pruned to eliminate duplicates Z: 11 4.077 1.677 0.248 0.161 0.800 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 19 8.797 1.787 0.483 0.219 0.889 0.333 CA 1.224 21 residues pruned to eliminate duplicates Z: 34 14.121 1.869 0.401 0.347 0.848 0.576 CB 1.305 34 residues pruned to eliminate duplicates Z: 43 16.543 1.907 0.430 0.308 0.833 0.548 CB 1.390 43 residues pruned to eliminate duplicates Z: 28 14.448 1.924 0.313 0.406 0.889 0.481 CA 1.367 28 residues pruned to eliminate duplicates Z: 29 13.984 1.956 0.401 0.332 0.857 0.607 CA 1.353 29 residues pruned to eliminate duplicates Z: 8 10.782 2.118 0.409 0.573 0.857 0.714 CA 1.485 8 residues pruned to eliminate duplicates Z: 18 12.253 1.984 0.391 0.393 0.882 0.647 CA 1.366 18 residues pruned to eliminate duplicates Z: 33 13.446 1.879 0.416 0.360 0.750 0.562 CB 1.385 33 residues pruned to eliminate duplicates Z: 10 11.195 2.085 0.264 0.561 1.000 0.889 CA 1.334 10 residues pruned to eliminate duplicates Z: 31 15.971 1.951 0.433 0.335 0.867 0.567 CB 1.440 29 residues pruned to eliminate duplicates Z: 29 16.152 1.968 0.352 0.395 0.893 0.464 CB 1.436 29 residues pruned to eliminate duplicates Z: 14 11.839 2.035 0.558 0.425 0.769 0.615 CB 1.455 14 residues pruned to eliminate duplicates Z: 17 10.585 1.828 0.388 0.399 0.875 0.688 CA 1.326 17 residues pruned to eliminate duplicates Z: 28 13.769 1.937 0.309 0.358 0.889 0.667 CB 1.371 28 residues pruned to eliminate duplicates Z: 21 11.684 1.941 0.258 0.410 0.900 0.700 CA 1.305 21 residues pruned to eliminate duplicates Z: 31 10.851 1.771 0.377 0.354 0.767 0.300 CB 1.241 31 residues pruned to eliminate duplicates Z: 19 10.238 2.041 0.200 0.367 0.889 0.722 CA 1.278 19 residues pruned to eliminate duplicates Z: 31 15.291 1.936 0.333 0.380 0.867 0.433 CB 1.419 31 residues pruned to eliminate duplicates Z: 19 11.949 1.949 0.395 0.432 0.833 0.611 CB 1.333 23 residues pruned to eliminate duplicates 6 1.954 1.368 0.260 0.195 0.800 0.000 N 0.911 ? Z: 7 3.412 1.461 0.708 0.281 0.833 0.500 CB 0.858 7 residues pruned to eliminate duplicates Z: 22 12.044 1.969 0.195 0.390 0.905 0.524 CB 1.386 22 residues pruned to eliminate duplicates Z: 11 14.681 2.132 0.629 0.514 0.900 0.900 CB 1.465 11 residues pruned to eliminate duplicates Z: 13 16.484 2.131 0.602 0.475 0.917 0.833 CB 1.560 13 residues pruned to eliminate duplicates Z: 13 14.990 2.079 0.460 0.505 0.917 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 19 15.677 2.037 0.257 0.475 1.000 0.667 CB 1.480 19 residues pruned to eliminate duplicates Z: 12 12.559 2.150 0.426 0.549 0.909 0.909 CB 1.296 12 residues pruned to eliminate duplicates Z: 18 10.819 1.865 0.443 0.423 0.882 0.647 CB 1.197 18 residues pruned to eliminate duplicates Z: 18 14.468 1.918 0.461 0.506 0.941 0.647 CB 1.323 18 residues pruned to eliminate duplicates Z: 14 13.523 2.056 0.405 0.510 0.923 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 22 18.294 1.958 0.508 0.509 0.952 0.571 CB 1.408 22 residues pruned to eliminate duplicates Z: 6 2.941 1.584 -0.099 0.414 1.000 0.400 CA 1.008 Z: 11 10.646 1.877 0.571 0.385 0.800 0.600 CB 1.614 11 residues pruned to eliminate duplicates Z: 12 11.611 1.929 0.641 0.367 0.818 0.455 CB 1.558 12 residues pruned to eliminate duplicates Z: 29 17.232 1.987 0.476 0.400 0.857 0.571 CB 1.440 29 residues pruned to eliminate duplicates Z: 10 10.085 1.976 0.767 0.365 0.778 0.556 CB 1.430 10 residues pruned to eliminate duplicates Z: 32 12.138 1.977 0.401 0.299 0.710 0.516 CB 1.388 32 residues pruned to eliminate duplicates Z: 10 9.141 1.885 0.462 0.390 0.889 0.556 CA 1.398 10 residues pruned to eliminate duplicates Z: 13 9.185 1.968 0.461 0.353 0.833 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 10 11.372 2.087 0.787 0.362 0.778 0.556 CB 1.515 10 residues pruned to eliminate duplicates Z: 39 36.732 2.195 0.619 0.658 0.947 0.763 CA 1.528 39 residues pruned to eliminate duplicates Z: 40 30.385 2.073 0.650 0.568 0.923 0.462 CB 1.442 40 residues pruned to eliminate duplicates Z: 85 50.424 2.174 0.625 0.541 0.964 0.619 CB 1.551 85 residues pruned to eliminate duplicates Z: 50 39.410 2.198 0.684 0.577 0.939 0.612 CA 1.504 50 residues pruned to eliminate duplicates Z: 47 42.119 2.179 0.767 0.615 0.957 0.696 CA 1.513 47 residues pruned to eliminate duplicates Z: 84 50.627 2.199 0.710 0.530 0.928 0.530 CB 1.547 84 residues pruned to eliminate duplicates Z: 55 44.255 2.181 0.742 0.631 0.926 0.630 CA 1.514 55 residues pruned to eliminate duplicates Z: 37 31.062 2.090 0.750 0.607 0.917 0.694 CA 1.394 37 residues pruned to eliminate duplicates Z: 73 45.643 2.193 0.587 0.526 0.944 0.583 CB 1.595 73 residues pruned to eliminate duplicates Z: 46 35.204 2.120 0.668 0.607 0.956 0.756 CA 1.403 46 residues pruned to eliminate duplicates Z: 37 36.667 2.229 0.663 0.626 0.972 0.528 CA 1.506 37 residues pruned to eliminate duplicates Z: 86 48.909 2.168 0.657 0.543 0.941 0.565 CB 1.504 86 residues pruned to eliminate duplicates Z: 102 48.324 2.138 0.617 0.516 0.941 0.545 CB 1.455 102 residues pruned to eliminate duplicates Z: 86 51.255 2.167 0.704 0.541 0.929 0.600 CB 1.556 86 residues pruned to eliminate duplicates Z: 30 41.484 2.265 0.749 0.729 1.000 0.621 CA 1.582 30 residues pruned to eliminate duplicates Z: 31 27.163 2.045 0.706 0.536 0.933 0.400 CB 1.470 31 residues pruned to eliminate duplicates Z: 33 41.879 2.235 0.805 0.712 1.000 0.656 CA 1.514 33 residues pruned to eliminate duplicates Z: 35 39.903 2.252 0.859 0.642 0.941 0.647 CA 1.521 35 residues pruned to eliminate duplicates Z: 97 45.633 2.145 0.583 0.511 0.906 0.469 CB 1.497 97 residues pruned to eliminate duplicates Z: 56 36.114 2.165 0.622 0.570 0.855 0.455 CB 1.516 56 residues pruned to eliminate duplicates Z: 30 42.897 2.277 0.924 0.704 1.000 0.724 CA 1.510 30 residues pruned to eliminate duplicates Z: 29 43.892 2.284 0.824 0.720 1.000 0.571 CA 1.632 29 residues pruned to eliminate duplicates Z: 76 46.046 2.184 0.629 0.553 0.960 0.547 CB 1.478 76 residues pruned to eliminate duplicates Z: 84 50.401 2.147 0.724 0.566 0.916 0.530 CB 1.532 84 residues pruned to eliminate duplicates Z: 39 33.945 2.186 0.700 0.617 0.868 0.658 CA 1.527 39 residues pruned to eliminate duplicates Z: 83 48.885 2.219 0.706 0.533 0.878 0.500 CA 1.572 83 residues pruned to eliminate duplicates Z: 44 38.632 2.172 0.661 0.597 0.953 0.581 CA 1.562 44 residues pruned to eliminate duplicates Z: 45 40.022 2.241 0.576 0.677 0.977 0.523 CA 1.485 45 residues pruned to eliminate duplicates Z: 81 47.933 2.194 0.669 0.510 0.925 0.525 CB 1.566 81 residues pruned to eliminate duplicates Z: 41 38.582 2.219 0.638 0.618 1.000 0.650 CA 1.502 41 residues pruned to eliminate duplicates Z: 37 29.764 2.115 0.557 0.600 0.944 0.694 CA 1.450 37 residues pruned to eliminate duplicates Z: 38 39.561 2.240 0.743 0.650 0.946 0.568 CA 1.531 38 residues pruned to eliminate duplicates Z: 83 46.417 2.166 0.595 0.501 0.939 0.512 CB 1.578 83 residues pruned to eliminate duplicates Z: 52 44.807 2.256 0.605 0.635 0.980 0.588 CA 1.557 52 residues pruned to eliminate duplicates Z: 50 43.418 2.189 0.749 0.596 0.918 0.571 CA 1.609 50 residues pruned to eliminate duplicates Z: 77 48.485 2.209 0.689 0.541 0.908 0.592 CB 1.578 77 residues pruned to eliminate duplicates Z: 58 41.106 2.174 0.697 0.562 0.895 0.439 CA 1.553 58 residues pruned to eliminate duplicates Z: 42 25.363 2.146 0.528 0.409 0.927 0.512 CB 1.434 42 residues pruned to eliminate duplicates Z: 37 22.837 2.133 0.456 0.441 0.889 0.306 CB 1.465 37 residues pruned to eliminate duplicates Z: 78 43.959 2.176 0.636 0.534 0.883 0.610 CB 1.541 78 residues pruned to eliminate duplicates Z: 45 40.712 2.225 0.661 0.667 0.955 0.614 CA 1.491 45 residues pruned to eliminate duplicates Z: 46 24.402 2.037 0.655 0.409 0.889 0.511 CB 1.336 46 residues pruned to eliminate duplicates Z: 75 48.625 2.202 0.669 0.561 0.932 0.608 CB 1.554 75 residues pruned to eliminate duplicates Z: 86 45.601 2.167 0.597 0.524 0.929 0.494 CB 1.502 86 residues pruned to eliminate duplicates Z: 55 43.841 2.242 0.561 0.607 0.981 0.556 CB 1.570 55 residues pruned to eliminate duplicates Z: 55 23.968 2.072 0.573 0.422 0.796 0.370 CB 1.363 55 residues pruned to eliminate duplicates Z: 49 25.862 2.096 0.563 0.427 0.896 0.438 CB 1.373 49 residues pruned to eliminate duplicates Z: 31 22.406 2.208 0.629 0.405 0.833 0.433 CB 1.508 31 residues pruned to eliminate duplicates Z: 58 43.138 2.190 0.698 0.590 0.965 0.614 CA 1.461 58 residues pruned to eliminate duplicates Z: 72 40.771 2.143 0.604 0.546 0.901 0.535 CB 1.492 72 residues pruned to eliminate duplicates Z: 74 47.814 2.186 0.651 0.552 0.945 0.548 CA 1.559 74 residues pruned to eliminate duplicates Z: 35 22.869 2.096 0.606 0.385 0.882 0.588 CB 1.492 35 residues pruned to eliminate duplicates Z: 32 22.202 2.173 0.542 0.371 0.871 0.387 CB 1.569 32 residues pruned to eliminate duplicates Z: 24 14.518 2.131 0.601 0.278 0.870 0.348 CB 1.311 24 residues pruned to eliminate duplicates Z: 21 21.357 2.270 0.791 0.346 0.950 0.650 CB 1.461 21 residues pruned to eliminate duplicates Z: 77 50.189 2.218 0.639 0.566 0.934 0.579 CB 1.590 77 residues pruned to eliminate duplicates Z: 32 25.101 2.147 0.684 0.391 0.903 0.516 CB 1.549 32 residues pruned to eliminate duplicates Z: 98 52.967 2.185 0.673 0.530 0.938 0.536 CB 1.522 98 residues pruned to eliminate duplicates Z: 61 35.319 2.137 0.718 0.514 0.833 0.417 CB 1.469 61 residues pruned to eliminate duplicates Z: 24 18.502 2.068 0.672 0.402 0.826 0.391 CB 1.497 24 residues pruned to eliminate duplicates Z: 32 26.639 2.129 0.765 0.420 0.903 0.516 CB 1.532 32 residues pruned to eliminate duplicates Z: 79 48.399 2.165 0.751 0.537 0.923 0.538 CB 1.509 79 residues pruned to eliminate duplicates Z: 24 18.692 2.092 0.570 0.387 0.913 0.435 CB 1.466 24 residues pruned to eliminate duplicates Z: 45 27.252 2.104 0.744 0.456 0.864 0.455 CB 1.357 45 residues pruned to eliminate duplicates Z: 33 19.146 2.077 0.503 0.402 0.844 0.625 CB 1.425 33 residues pruned to eliminate duplicates Z: 30 29.662 2.216 0.727 0.441 0.931 0.586 CB 1.643 36 residues pruned to eliminate duplicates Z: 11 14.215 1.699 0.536 0.830 1.000 0.800 CA 1.296 11 residues pruned to eliminate duplicates Z: 32 23.256 2.137 0.716 0.402 0.871 0.419 CB 1.449 32 residues pruned to eliminate duplicates Z: 31 22.305 2.146 0.617 0.435 0.867 0.633 CB 1.449 31 residues pruned to eliminate duplicates Z: 9 7.858 1.922 0.359 0.280 0.875 0.500 CB 1.559 7 residues pruned to eliminate duplicates Z: 10 18.231 1.910 0.809 0.808 0.889 0.667 CA 1.513 15 residues pruned to eliminate duplicates Z: 8 6.455 1.908 0.424 0.686 0.714 0.429 CB 1.060 8 residues pruned to eliminate duplicates Z: 8 7.400 1.863 0.580 0.338 0.714 0.286 CB 1.588 8 residues pruned to eliminate duplicates Z: 8 5.739 1.841 0.582 0.189 0.714 0.429 C 1.515 Z: 9 5.683 1.741 0.579 0.337 0.625 0.125 CB 1.397 17 residues pruned to eliminate duplicates Z: 13 12.312 1.745 0.646 0.509 0.917 0.667 N 1.337 12 residues pruned to eliminate duplicates Z: 7 6.296 1.480 0.617 0.691 0.833 0.667 CA 1.083 7 residues pruned to eliminate duplicates Z: 13 14.861 1.928 0.507 0.506 1.000 0.500 N 1.468 13 residues pruned to eliminate duplicates Z: 19 10.338 1.792 0.528 0.400 0.833 0.389 CB 1.186 19 residues pruned to eliminate duplicates Z: 14 11.588 1.878 0.474 0.406 0.923 0.538 N 1.389 14 residues pruned to eliminate duplicates Z: 16 9.114 1.751 0.431 0.357 0.867 0.533 CB 1.264 16 residues pruned to eliminate duplicates Z: 19 8.767 1.760 0.493 0.399 0.722 0.556 CB 1.212 19 residues pruned to eliminate duplicates Z: 12 8.884 1.884 0.401 0.339 0.818 0.364 CB 1.478 12 residues pruned to eliminate duplicates Z: 41 25.486 2.026 0.531 0.489 0.950 0.575 CB 1.383 41 residues pruned to eliminate duplicates Z: 67 43.517 2.101 0.620 0.560 0.955 0.606 CA 1.556 67 residues pruned to eliminate duplicates Z: 79 39.083 2.079 0.541 0.552 0.897 0.577 CA 1.463 84 residues pruned to eliminate duplicates Z: 17 12.799 2.041 0.504 0.396 0.812 0.438 CB 1.433 17 residues pruned to eliminate duplicates Z: 46 30.490 2.033 0.535 0.628 0.933 0.578 CA 1.383 46 residues pruned to eliminate duplicates Z: 57 36.831 2.065 0.558 0.584 0.946 0.554 CB 1.491 57 residues pruned to eliminate duplicates Z: 9 9.791 2.190 0.444 0.426 0.750 0.500 CB 1.576 9 residues pruned to eliminate duplicates Z: 49 35.854 2.076 0.610 0.635 0.938 0.562 CB 1.455 49 residues pruned to eliminate duplicates Z: 73 38.002 2.087 0.619 0.541 0.903 0.528 CA 1.411 73 residues pruned to eliminate duplicates Z: 79 41.157 2.083 0.570 0.530 0.936 0.487 CA 1.479 79 residues pruned to eliminate duplicates Z: 18 11.463 1.930 0.506 0.376 0.824 0.353 CA 1.325 18 residues pruned to eliminate duplicates Z: 45 35.282 2.071 0.645 0.612 0.955 0.523 CA 1.471 45 residues pruned to eliminate duplicates Z: 73 42.676 2.092 0.673 0.543 0.903 0.583 CB 1.526 74 residues pruned to eliminate duplicates Z: 50 34.416 2.076 0.661 0.608 0.918 0.490 CB 1.402 50 residues pruned to eliminate duplicates Z: 74 41.142 2.077 0.624 0.555 0.918 0.466 CB 1.475 74 residues pruned to eliminate duplicates Z: 56 36.327 2.084 0.640 0.567 0.927 0.491 CB 1.449 56 residues pruned to eliminate duplicates Z: 37 29.159 2.065 0.652 0.549 0.944 0.556 CB 1.438 35 residues pruned to eliminate duplicates Z: 44 33.788 2.105 0.696 0.616 0.884 0.581 CA 1.463 45 residues pruned to eliminate duplicates Z: 45 34.473 2.045 0.730 0.612 0.932 0.455 CB 1.417 45 residues pruned to eliminate duplicates Z: 45 33.603 2.065 0.670 0.626 0.886 0.568 CB 1.471 45 residues pruned to eliminate duplicates Z: 55 36.768 2.035 0.599 0.606 0.944 0.537 CA 1.472 55 residues pruned to eliminate duplicates Z: 75 39.079 2.076 0.556 0.544 0.905 0.662 CB 1.488 75 residues pruned to eliminate duplicates Z: 51 35.567 2.026 0.752 0.579 0.900 0.560 CB 1.460 51 residues pruned to eliminate duplicates Z: 28 27.088 2.058 0.696 0.639 0.963 0.481 CB 1.362 28 residues pruned to eliminate duplicates Z: 35 34.185 2.102 0.601 0.723 0.971 0.559 CB 1.468 35 residues pruned to eliminate duplicates Z: 56 37.959 2.089 0.594 0.577 0.927 0.491 CB 1.539 56 residues pruned to eliminate duplicates Z: 31 30.797 2.071 0.662 0.671 1.000 0.467 CA 1.394 31 residues pruned to eliminate duplicates Z: 75 39.950 2.075 0.685 0.543 0.865 0.527 CA 1.473 75 residues pruned to eliminate duplicates Z: 73 40.761 2.105 0.606 0.561 0.889 0.556 CB 1.507 73 residues pruned to eliminate duplicates Z: 48 39.234 2.113 0.796 0.648 0.894 0.638 CB 1.470 48 residues pruned to eliminate duplicates Z: 55 38.950 2.073 0.726 0.571 0.926 0.556 CA 1.494 55 residues pruned to eliminate duplicates Z: 44 37.171 2.081 0.640 0.644 0.977 0.581 CB 1.487 44 residues pruned to eliminate duplicates Z: 68 42.161 2.106 0.626 0.554 0.940 0.463 CB 1.518 68 residues pruned to eliminate duplicates Z: 43 33.397 2.091 0.683 0.626 0.929 0.476 CA 1.401 43 residues pruned to eliminate duplicates Z: 47 34.831 2.064 0.732 0.627 0.913 0.565 CB 1.396 47 residues pruned to eliminate duplicates Z: 21 16.562 2.013 0.542 0.562 0.950 0.650 CB 1.182 21 residues pruned to eliminate duplicates Z: 19 18.361 2.002 0.752 0.596 0.944 0.667 CB 1.193 19 residues pruned to eliminate duplicates Z: 31 27.639 2.038 0.728 0.657 0.933 0.533 CA 1.326 31 residues pruned to eliminate duplicates Z: 74 41.792 2.079 0.627 0.555 0.904 0.466 CB 1.516 74 residues pruned to eliminate duplicates Z: 37 26.409 2.007 0.711 0.632 0.833 0.417 CA 1.360 37 residues pruned to eliminate duplicates Z: 44 35.219 2.100 0.648 0.618 0.930 0.558 CA 1.493 44 residues pruned to eliminate duplicates Z: 57 37.730 2.039 0.641 0.578 0.929 0.607 CA 1.505 57 residues pruned to eliminate duplicates Z: 45 30.279 2.068 0.567 0.510 0.955 0.614 CB 1.461 50 residues pruned to eliminate duplicates Z: 6 3.287 1.896 -0.002 0.389 0.800 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 44 29.473 2.102 0.635 0.487 0.884 0.558 CB 1.500 44 residues pruned to eliminate duplicates Z: 72 42.971 2.122 0.587 0.567 0.930 0.535 CA 1.527 73 residues pruned to eliminate duplicates Z: 6 4.894 1.551 0.925 0.245 1.000 0.400 CA 0.984 6 residues pruned to eliminate duplicates Z: 30 22.139 2.109 0.670 0.398 0.862 0.483 CA 1.507 29 residues pruned to eliminate duplicates Z: 10 14.036 2.065 0.322 0.667 1.000 0.556 CA 1.468 12 residues pruned to eliminate duplicates Z: 12 7.957 1.801 0.291 0.542 0.818 0.364 CA 1.211 12 residues pruned to eliminate duplicates Z: 75 42.966 2.095 0.630 0.546 0.946 0.514 CA 1.478 75 residues pruned to eliminate duplicates Z: 32 20.514 2.039 0.593 0.409 0.839 0.452 CA 1.488 32 residues pruned to eliminate duplicates Z: 25 15.986 2.079 0.539 0.409 0.792 0.333 CA 1.418 25 residues pruned to eliminate duplicates Z: 32 19.437 2.029 0.615 0.411 0.871 0.484 CA 1.343 32 residues pruned to eliminate duplicates Z: 24 15.752 2.065 0.506 0.435 0.783 0.435 CA 1.443 24 residues pruned to eliminate duplicates Z: 21 9.871 1.870 0.305 0.426 0.800 0.350 CA 1.221 13 residues pruned to eliminate duplicates Z: 11 11.481 1.880 0.607 0.664 0.900 0.400 CA 1.148 11 residues pruned to eliminate duplicates Z: 26 14.230 1.964 0.389 0.362 0.840 0.320 CA 1.441 26 residues pruned to eliminate duplicates Z: 31 20.375 2.028 0.549 0.461 0.900 0.567 CA 1.369 31 residues pruned to eliminate duplicates Z: 34 18.659 1.989 0.478 0.391 0.879 0.364 CA 1.412 34 residues pruned to eliminate duplicates Z: 45 33.267 2.083 0.541 0.593 0.909 0.682 CB 1.572 45 residues pruned to eliminate duplicates Z: 35 21.153 1.954 0.695 0.469 0.882 0.412 CA 1.281 35 residues pruned to eliminate duplicates Z: 52 28.670 1.989 0.676 0.469 0.922 0.608 CA 1.349 52 residues pruned to eliminate duplicates Z: 31 19.342 2.032 0.562 0.378 0.867 0.633 CA 1.461 31 residues pruned to eliminate duplicates Z: 53 29.688 2.043 0.452 0.513 0.923 0.692 CA 1.484 53 residues pruned to eliminate duplicates Z: 62 32.751 2.035 0.540 0.508 0.951 0.623 CA 1.396 62 residues pruned to eliminate duplicates Z: 64 32.488 1.987 0.630 0.488 0.937 0.524 CA 1.365 64 residues pruned to eliminate duplicates Z: 55 31.462 2.065 0.594 0.483 0.889 0.611 CA 1.489 55 residues pruned to eliminate duplicates Z: 30 17.553 2.006 0.255 0.557 0.897 0.621 CB 1.366 30 residues pruned to eliminate duplicates Z: 63 30.470 1.991 0.449 0.526 0.887 0.581 CA 1.473 59 residues pruned to eliminate duplicates Z: 6 4.153 1.425 0.712 0.336 0.800 0.800 N 1.137 Z: 6 5.525 1.463 0.926 0.413 1.000 0.600 CA 0.961 Z: 40 35.218 2.147 0.672 0.528 0.949 0.641 CB 1.611 46 residues pruned to eliminate duplicates Z: 61 26.136 1.927 0.525 0.468 0.933 0.550 CA 1.270 61 residues pruned to eliminate duplicates Z: 26 33.028 2.160 0.578 0.733 1.000 0.800 CA 1.571 Z: 30 22.920 2.021 0.454 0.611 0.931 0.586 CB 1.400 Z: 30 20.615 2.031 0.465 0.490 0.862 0.586 CA 1.508 30 residues pruned to eliminate duplicates Z: 61 30.852 1.989 0.588 0.485 0.917 0.483 CA 1.397 61 residues pruned to eliminate duplicates Z: 53 33.818 2.058 0.605 0.550 0.923 0.673 CA 1.465 109 residues pruned to eliminate duplicates Z: 29 26.142 2.125 0.383 0.659 0.929 0.786 CB 1.563 29 residues pruned to eliminate duplicates Z: 29 22.763 2.092 0.363 0.637 0.893 0.643 CB 1.486 29 residues pruned to eliminate duplicates Z: 33 27.343 2.133 0.545 0.500 0.938 0.656 CB 1.564 33 residues pruned to eliminate duplicates Z: 40 29.450 2.141 0.524 0.486 0.923 0.667 CA 1.587 40 residues pruned to eliminate duplicates Z: 65 30.482 1.948 0.631 0.453 0.922 0.625 CA 1.365 65 residues pruned to eliminate duplicates Z: 40 32.535 2.123 0.650 0.585 0.872 0.692 CB 1.573 40 residues pruned to eliminate duplicates Z: 40 31.429 2.093 0.570 0.582 0.949 0.667 CB 1.492 40 residues pruned to eliminate duplicates Z: 58 36.144 2.032 0.661 0.547 0.912 0.614 CA 1.485 58 residues pruned to eliminate duplicates Z: 28 28.975 2.087 0.669 0.694 0.926 0.704 CB 1.448 28 residues pruned to eliminate duplicates Z: 32 28.584 2.117 0.523 0.630 0.968 0.710 CB 1.456 32 residues pruned to eliminate duplicates Z: 50 30.210 2.017 0.552 0.483 0.939 0.612 CA 1.494 50 residues pruned to eliminate duplicates Z: 47 33.364 1.959 0.714 0.622 0.935 0.587 CB 1.396 47 residues pruned to eliminate duplicates Z: 34 28.674 2.041 0.636 0.640 0.939 0.697 CB 1.397 34 residues pruned to eliminate duplicates Z: 62 38.244 2.022 0.726 0.548 0.967 0.607 CB 1.384 62 residues pruned to eliminate duplicates Z: 64 40.903 2.050 0.668 0.593 0.937 0.698 CA 1.473 64 residues pruned to eliminate duplicates Z: 39 25.351 1.990 0.607 0.574 0.947 0.605 CB 1.263 39 residues pruned to eliminate duplicates Z: 63 35.942 1.987 0.772 0.573 0.968 0.565 CB 1.249 63 residues pruned to eliminate duplicates Z: 38 31.998 2.034 0.765 0.628 0.946 0.649 CB 1.373 38 residues pruned to eliminate duplicates Z: 34 35.496 2.055 0.783 0.689 0.970 0.818 CB 1.463 34 residues pruned to eliminate duplicates Z: 64 36.794 1.992 0.793 0.580 0.873 0.556 CB 1.377 64 residues pruned to eliminate duplicates Z: 65 36.698 2.029 0.592 0.549 0.953 0.594 CB 1.421 65 residues pruned to eliminate duplicates Z: 65 38.588 1.988 0.806 0.562 0.906 0.578 CB 1.396 65 residues pruned to eliminate duplicates Z: 63 35.349 2.008 0.658 0.550 0.935 0.629 CA 1.372 20 residues pruned to eliminate duplicates Z: 11 11.270 1.734 0.481 0.855 1.000 0.600 CA 1.024 11 residues pruned to eliminate duplicates Z: 64 40.368 2.026 0.756 0.589 0.952 0.603 CB 1.378 64 residues pruned to eliminate duplicates Z: 60 32.548 1.942 0.665 0.577 0.932 0.508 CB 1.305 60 residues pruned to eliminate duplicates Z: 60 43.816 2.027 0.881 0.643 0.966 0.627 CB 1.356 60 residues pruned to eliminate duplicates Z: 65 37.018 2.002 0.559 0.586 0.953 0.672 CA 1.433 65 residues pruned to eliminate duplicates Z: 62 35.691 1.996 0.645 0.558 0.934 0.557 CB 1.408 62 residues pruned to eliminate duplicates Z: 66 30.663 1.994 0.398 0.567 0.908 0.646 CB 1.408 66 residues pruned to eliminate duplicates Z: 20 15.191 1.922 0.453 0.633 0.947 0.421 CA 1.162 20 residues pruned to eliminate duplicates Z: 65 38.231 2.000 0.709 0.582 0.906 0.594 CB 1.427 65 residues pruned to eliminate duplicates Z: 65 37.284 2.028 0.583 0.567 0.953 0.609 CB 1.428 65 residues pruned to eliminate duplicates Z: 59 35.368 1.984 0.600 0.607 0.966 0.569 CB 1.369 59 residues pruned to eliminate duplicates Z: 12 8.377 2.128 0.222 0.417 0.909 0.455 CA 1.165 12 residues pruned to eliminate duplicates Z: 63 30.804 2.019 0.508 0.531 0.935 0.581 CA 1.332 50 residues pruned to eliminate duplicates Z: 6 4.907 1.706 0.235 0.337 1.000 0.400 CA 1.245 Z: 60 30.567 2.010 0.597 0.550 0.915 0.593 CA 1.290 60 residues pruned to eliminate duplicates Z: 39 14.709 1.903 0.335 0.414 0.868 0.553 CB 1.184 39 residues pruned to eliminate duplicates Z: 23 11.769 1.870 0.126 0.403 1.000 0.591 CA 1.319 23 residues pruned to eliminate duplicates Z: 35 17.125 1.944 0.236 0.441 1.000 0.588 CB 1.299 35 residues pruned to eliminate duplicates Z: 15 7.273 1.765 0.315 0.350 1.000 0.643 CB 0.985 15 residues pruned to eliminate duplicates Z: 28 14.457 1.849 0.237 0.427 1.000 0.481 CA 1.313 28 residues pruned to eliminate duplicates Z: 37 17.886 1.922 0.353 0.446 0.917 0.583 CA 1.321 37 residues pruned to eliminate duplicates Z: 27 14.642 1.977 0.189 0.392 1.000 0.577 CB 1.370 27 residues pruned to eliminate duplicates Z: 37 17.452 1.961 0.261 0.437 0.917 0.583 CA 1.370 37 residues pruned to eliminate duplicates Z: 35 16.726 1.921 0.317 0.425 0.971 0.618 CA 1.262 35 residues pruned to eliminate duplicates Z: 26 13.018 1.950 0.205 0.419 0.920 0.520 CB 1.310 26 residues pruned to eliminate duplicates Z: 36 15.485 1.913 0.225 0.457 0.914 0.514 CA 1.277 36 residues pruned to eliminate duplicates Z: 37 16.763 1.923 0.182 0.426 1.000 0.583 CB 1.328 39 residues pruned to eliminate duplicates Z: 7 6.500 1.892 0.114 0.472 1.000 0.667 CA 1.295 7 residues pruned to eliminate duplicates Z: 37 18.705 1.958 0.345 0.434 0.944 0.528 CA 1.343 36 residues pruned to eliminate duplicates Z: 6 5.674 1.667 0.936 0.419 1.000 0.800 CB 0.856 6 residues pruned to eliminate duplicates Z: 12 11.327 1.923 0.578 0.522 0.909 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 11.407 1.893 0.586 0.541 0.909 0.727 CA 1.210 12 residues pruned to eliminate duplicates Z: 14 11.888 1.862 0.542 0.531 0.923 0.615 CA 1.207 14 residues pruned to eliminate duplicates Z: 13 12.841 1.873 0.509 0.507 1.000 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 38 17.135 1.940 0.312 0.420 0.919 0.568 CA 1.310 38 residues pruned to eliminate duplicates Z: 13 11.987 1.921 0.548 0.494 0.917 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 10 9.682 1.899 0.691 0.492 0.778 0.667 CB 1.302 10 residues pruned to eliminate duplicates Z: 10 12.796 1.924 0.606 0.637 0.778 0.667 CB 1.561 10 residues pruned to eliminate duplicates Z: 9 10.972 1.963 0.402 0.596 0.875 0.750 CB 1.470 9 residues pruned to eliminate duplicates Z: 10 13.325 2.015 0.592 0.626 0.778 0.667 CB 1.581 10 residues pruned to eliminate duplicates Z: 44 18.367 2.000 0.313 0.360 0.814 0.488 CB 1.523 44 residues pruned to eliminate duplicates Z: 22 16.845 2.005 0.431 0.417 0.905 0.571 CB 1.544 21 residues pruned to eliminate duplicates Z: 6 2.048 1.367 0.441 0.268 0.600 0.200 N 1.009 6 residues pruned to eliminate duplicates Z: 72 21.781 1.960 0.386 0.310 0.817 0.521 CA 1.439 72 residues pruned to eliminate duplicates Z: 14 13.267 2.096 0.464 0.366 0.923 0.385 CB 1.500 14 residues pruned to eliminate duplicates Z: 25 15.467 1.977 0.469 0.349 0.833 0.500 CB 1.536 25 residues pruned to eliminate duplicates Z: 14 15.200 2.062 0.466 0.441 0.923 0.769 CB 1.605 14 residues pruned to eliminate duplicates Z: 28 13.562 1.964 0.438 0.405 0.815 0.593 CA 1.253 28 residues pruned to eliminate duplicates Z: 53 19.257 1.968 0.365 0.306 0.885 0.500 CB 1.394 53 residues pruned to eliminate duplicates Z: 49 24.548 2.020 0.338 0.438 0.938 0.542 CB 1.491 49 residues pruned to eliminate duplicates Z: 60 20.901 1.963 0.315 0.402 0.831 0.508 CB 1.407 60 residues pruned to eliminate duplicates Z: 36 20.013 2.027 0.451 0.399 0.857 0.543 CB 1.494 36 residues pruned to eliminate duplicates Z: 15 13.846 1.984 0.586 0.413 0.857 0.500 CA 1.502 15 residues pruned to eliminate duplicates Z: 50 22.724 2.030 0.435 0.379 0.857 0.510 CB 1.479 50 residues pruned to eliminate duplicates Z: 28 18.390 2.030 0.505 0.441 0.852 0.667 CA 1.446 28 residues pruned to eliminate duplicates Z: 27 17.920 1.978 0.557 0.481 0.923 0.615 CB 1.260 27 residues pruned to eliminate duplicates Z: 65 27.622 2.038 0.451 0.414 0.875 0.516 CB 1.459 65 residues pruned to eliminate duplicates Z: 46 23.039 1.972 0.489 0.455 0.844 0.667 CB 1.450 46 residues pruned to eliminate duplicates Z: 6 2.217 1.275 0.667 0.287 0.800 0.600 CA 0.741 6 residues pruned to eliminate duplicates Z: 27 17.405 2.027 0.472 0.433 0.846 0.615 CA 1.450 27 residues pruned to eliminate duplicates Z: 60 26.579 2.026 0.475 0.382 0.881 0.458 CB 1.489 60 residues pruned to eliminate duplicates Z: 20 13.241 1.932 0.444 0.420 0.842 0.526 CB 1.405 20 residues pruned to eliminate duplicates Z: 22 11.329 1.987 0.475 0.249 0.905 0.286 CB 1.245 22 residues pruned to eliminate duplicates Z: 33 21.394 2.030 0.571 0.452 0.875 0.594 CB 1.424 33 residues pruned to eliminate duplicates Z: 7 8.268 1.938 0.233 0.566 0.833 0.500 CB 1.591 7 residues pruned to eliminate duplicates Z: 34 16.892 2.010 0.368 0.371 0.879 0.545 CB 1.396 34 residues pruned to eliminate duplicates Z: 22 12.694 1.959 0.340 0.341 0.905 0.333 CB 1.386 22 residues pruned to eliminate duplicates Z: 37 17.511 1.968 0.426 0.373 0.861 0.500 CA 1.383 37 residues pruned to eliminate duplicates Z: 28 10.415 1.865 0.546 0.244 0.815 0.333 CB 1.146 28 residues pruned to eliminate duplicates Z: 51 21.689 1.991 0.446 0.409 0.840 0.540 CB 1.394 51 residues pruned to eliminate duplicates Z: 52 20.819 1.987 0.400 0.351 0.882 0.412 CB 1.397 52 residues pruned to eliminate duplicates Z: 12 10.305 2.017 0.358 0.449 0.818 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 54 22.215 1.966 0.486 0.378 0.849 0.509 CA 1.401 54 residues pruned to eliminate duplicates Z: 46 22.866 1.990 0.501 0.440 0.867 0.600 CB 1.402 46 residues pruned to eliminate duplicates Z: 32 15.873 1.975 0.361 0.408 0.903 0.645 CB 1.294 32 residues pruned to eliminate duplicates Z: 19 13.169 2.022 0.438 0.375 0.833 0.389 CA 1.465 19 residues pruned to eliminate duplicates Z: 48 22.414 2.018 0.447 0.428 0.872 0.553 CB 1.383 48 residues pruned to eliminate duplicates Z: 28 16.237 1.965 0.474 0.348 0.852 0.407 CB 1.493 28 residues pruned to eliminate duplicates Z: 16 9.504 1.974 0.373 0.437 0.733 0.600 CA 1.318 16 residues pruned to eliminate duplicates Z: 51 18.231 1.970 0.415 0.340 0.760 0.460 CB 1.449 51 residues pruned to eliminate duplicates Z: 28 11.897 1.958 0.301 0.301 0.778 0.444 CB 1.444 28 residues pruned to eliminate duplicates Z: 53 21.835 1.959 0.469 0.369 0.865 0.538 CB 1.400 53 residues pruned to eliminate duplicates Z: 37 18.943 2.060 0.461 0.375 0.806 0.500 CA 1.488 37 residues pruned to eliminate duplicates Z: 13 3.213 1.602 0.198 0.128 0.750 0.083 CB 1.025 13 residues pruned to eliminate duplicates Z: 36 15.440 1.939 0.398 0.337 0.857 0.400 CA 1.342 36 residues pruned to eliminate duplicates Z: 23 12.227 1.917 0.433 0.329 0.818 0.455 CA 1.399 23 residues pruned to eliminate duplicates 8 1.603 1.529 0.023 0.204 0.571 0.286 CB 0.963 ? Z: 28 11.734 1.968 0.413 0.287 0.778 0.444 CA 1.327 28 residues pruned to eliminate duplicates Z: 20 10.002 1.995 0.216 0.333 0.789 0.421 CB 1.439 20 residues pruned to eliminate duplicates Z: 19 10.983 1.975 0.432 0.406 0.722 0.500 CA 1.398 19 residues pruned to eliminate duplicates Z: 31 11.653 1.969 0.361 0.360 0.700 0.533 CA 1.318 31 residues pruned to eliminate duplicates Z: 11 6.346 2.008 0.279 0.284 0.800 0.500 CA 1.245 11 residues pruned to eliminate duplicates Z: 11 9.138 2.061 0.640 0.299 0.800 0.500 CA 1.337 11 residues pruned to eliminate duplicates Z: 12 8.630 1.949 0.660 0.287 0.727 0.545 CA 1.405 12 residues pruned to eliminate duplicates Z: 13 8.712 1.860 0.617 0.389 0.833 0.333 CA 1.129 13 residues pruned to eliminate duplicates Z: 14 11.132 1.937 0.394 0.410 0.923 0.692 CA 1.362 14 residues pruned to eliminate duplicates Z: 30 18.218 2.004 0.643 0.356 0.828 0.414 CA 1.450 28 residues pruned to eliminate duplicates Z: 7 5.119 1.712 1.319 0.382 0.833 0.333 CA 0.716 7 residues pruned to eliminate duplicates Z: 25 15.807 2.079 0.578 0.346 0.792 0.375 CA 1.469 27 residues pruned to eliminate duplicates Z: 6 2.674 1.593 0.493 0.428 1.000 0.200 CB 0.542 6 residues pruned to eliminate duplicates Z: 38 17.035 2.056 0.348 0.365 0.784 0.459 CA 1.491 38 residues pruned to eliminate duplicates Z: 30 17.796 2.006 0.416 0.419 0.862 0.517 CB 1.467 30 residues pruned to eliminate duplicates Z: 15 11.172 2.079 0.259 0.342 0.857 0.571 CB 1.581 15 residues pruned to eliminate duplicates Z: 15 12.258 2.023 0.404 0.368 0.857 0.429 CA 1.550 13 residues pruned to eliminate duplicates Z: 7 4.995 1.734 0.421 0.365 0.833 0.500 O 1.148 7 residues pruned to eliminate duplicates Z: 28 17.302 2.073 0.577 0.359 0.815 0.481 CA 1.454 28 residues pruned to eliminate duplicates Z: 24 9.924 1.798 0.273 0.301 0.913 0.478 CB 1.236 24 residues pruned to eliminate duplicates Z: 19 10.314 1.848 0.497 0.357 0.778 0.389 CA 1.318 19 residues pruned to eliminate duplicates Z: 14 13.752 2.080 0.533 0.437 0.846 0.462 CB 1.509 14 residues pruned to eliminate duplicates Z: 50 19.457 1.919 0.473 0.346 0.837 0.469 CB 1.389 50 residues pruned to eliminate duplicates Z: 15 11.605 2.033 0.487 0.318 0.857 0.500 CB 1.464 15 residues pruned to eliminate duplicates Z: 25 10.981 2.039 0.272 0.278 0.750 0.458 CB 1.481 25 residues pruned to eliminate duplicates Z: 21 12.720 2.089 0.329 0.304 0.800 0.500 CA 1.594 21 residues pruned to eliminate duplicates Z: 34 17.658 2.047 0.319 0.365 0.879 0.485 CA 1.498 34 residues pruned to eliminate duplicates Z: 28 11.013 1.986 0.534 0.222 0.667 0.407 CB 1.446 28 residues pruned to eliminate duplicates Z: 26 15.803 2.071 0.501 0.322 0.760 0.440 CA 1.628 25 residues pruned to eliminate duplicates Z: 19 17.533 2.008 0.333 0.714 0.889 0.556 CA 1.430 Z: 17 21.134 2.169 0.308 0.836 0.938 0.688 CB 1.488 19 residues pruned to eliminate duplicates Z: 16 21.611 2.140 0.268 0.894 1.000 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 18.230 2.155 0.408 0.826 0.857 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 31 21.160 2.049 0.446 0.522 0.800 0.467 CA 1.596 29 residues pruned to eliminate duplicates Z: 15 17.190 2.145 0.271 0.810 0.857 0.643 CB 1.502 15 residues pruned to eliminate duplicates Z: 22 20.705 2.055 0.531 0.583 0.905 0.571 CB 1.465 22 residues pruned to eliminate duplicates Z: 20 21.853 2.067 0.404 0.622 0.947 0.526 CA 1.625 22 residues pruned to eliminate duplicates Z: 17 18.801 2.062 0.333 0.828 0.938 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 27 24.384 2.035 0.518 0.627 0.923 0.577 CB 1.488 33 residues pruned to eliminate duplicates Z: 21 20.631 2.056 0.562 0.636 0.800 0.550 CB 1.581 21 residues pruned to eliminate duplicates Z: 26 23.842 2.067 0.590 0.648 0.840 0.520 CB 1.504 26 residues pruned to eliminate duplicates Z: 21 18.411 2.071 0.374 0.633 0.850 0.550 CA 1.503 21 residues pruned to eliminate duplicates Z: 53 27.773 2.050 0.440 0.495 0.827 0.577 CB 1.586 53 residues pruned to eliminate duplicates Z: 28 21.244 1.970 0.444 0.599 0.926 0.519 CB 1.413 28 residues pruned to eliminate duplicates Z: 53 28.469 2.021 0.446 0.480 0.865 0.500 CB 1.593 55 residues pruned to eliminate duplicates Z: 18 23.091 2.059 0.513 0.750 1.000 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 29 23.737 1.990 0.440 0.578 0.929 0.464 CB 1.565 29 residues pruned to eliminate duplicates Z: 7 10.994 1.906 0.210 0.708 1.000 0.500 CB 1.610 7 residues pruned to eliminate duplicates Z: 8 9.907 1.770 0.440 0.877 0.857 0.286 CB 1.245 8 residues pruned to eliminate duplicates Z: 48 21.100 1.928 0.580 0.362 0.809 0.511 CB 1.450 48 residues pruned to eliminate duplicates Z: 89 35.839 2.039 0.508 0.427 0.852 0.477 CA 1.572 95 residues pruned to eliminate duplicates Z: 6 3.845 1.669 0.158 0.321 1.000 0.600 CB 1.084 6 residues pruned to eliminate duplicates Z: 9 6.646 1.799 0.724 0.410 0.875 0.500 CB 0.951 9 residues pruned to eliminate duplicates Z: 9 6.734 1.772 0.697 0.494 0.875 0.375 CA 0.910 9 residues pruned to eliminate duplicates Z: 9 10.408 2.021 0.503 0.332 1.000 0.625 CB 1.457 9 residues pruned to eliminate duplicates Z: 20 11.046 1.893 0.632 0.155 0.895 0.316 CB 1.401 20 residues pruned to eliminate duplicates Z: 26 24.488 2.202 0.613 0.456 0.920 0.560 CB 1.569 26 residues pruned to eliminate duplicates Z: 32 20.088 2.063 0.680 0.393 0.806 0.484 CB 1.446 32 residues pruned to eliminate duplicates Z: 29 21.122 2.147 0.652 0.405 0.893 0.571 CB 1.393 29 residues pruned to eliminate duplicates Z: 29 22.287 2.149 0.581 0.406 0.893 0.571 CB 1.533 28 residues pruned to eliminate duplicates Z: 25 19.903 2.194 0.577 0.361 0.875 0.500 CB 1.559 25 residues pruned to eliminate duplicates Z: 28 25.403 2.174 0.741 0.420 0.926 0.556 CB 1.516 28 residues pruned to eliminate duplicates Z: 28 21.257 2.160 0.570 0.428 0.852 0.593 CB 1.525 28 residues pruned to eliminate duplicates Z: 26 18.595 2.108 0.661 0.355 0.840 0.480 CB 1.479 26 residues pruned to eliminate duplicates Z: 27 26.284 2.230 0.716 0.451 0.885 0.577 CB 1.601 28 residues pruned to eliminate duplicates Z: 6 4.233 1.393 0.742 0.343 1.000 0.200 CA 0.926 6 residues pruned to eliminate duplicates Z: 26 20.016 2.129 0.669 0.315 0.880 0.480 CB 1.570 26 residues pruned to eliminate duplicates Z: 28 23.265 2.171 0.638 0.414 0.926 0.444 CB 1.488 28 residues pruned to eliminate duplicates Z: 27 26.537 2.159 0.823 0.468 0.885 0.615 CA 1.544 27 residues pruned to eliminate duplicates Z: 27 23.108 2.183 0.745 0.371 0.923 0.500 CB 1.480 27 residues pruned to eliminate duplicates Z: 28 21.316 2.130 0.723 0.396 0.852 0.481 CA 1.464 28 residues pruned to eliminate duplicates Z: 29 26.208 2.117 0.735 0.431 0.929 0.464 CB 1.560 29 residues pruned to eliminate duplicates Z: 26 24.813 2.227 0.765 0.434 0.880 0.600 CA 1.536 26 residues pruned to eliminate duplicates Z: 27 23.233 2.204 0.724 0.406 0.846 0.462 CB 1.563 27 residues pruned to eliminate duplicates Z: 29 27.741 2.127 0.958 0.437 0.893 0.607 CB 1.505 29 residues pruned to eliminate duplicates Z: 11 10.332 1.881 0.888 0.617 0.800 0.400 CB 1.030 11 residues pruned to eliminate duplicates Z: 8 6.117 1.651 0.237 0.551 0.857 0.714 CA 1.257 Z: 8 6.581 1.732 0.160 0.611 1.000 0.714 CB 1.114 Z: 13 6.293 1.768 0.243 0.432 0.750 0.500 CB 1.182 29 residues pruned to eliminate duplicates 674 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 12 D: 16 E: 19 F: 65 G: 18 H: 11 I: 10 J: 42 K: 100 L: 20 M: 80 N: 63 O: 38 P: 155 Q: 11 CC for partial structure against native data = 24.76 % ------------------------------------------------------------------------------ Global autotracing cycle 29 = 0.300, Contrast = 0.395, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.552, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6642 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1275 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 31 17.845 2.047 0.438 0.340 0.900 0.533 CB 1.463 B: 14 15.784 1.932 0.719 0.498 0.846 0.615 CA 1.561 12 residues pruned to eliminate duplicates C: 27 13.640 1.769 0.514 0.440 0.923 0.538 CB 1.151 24 residues pruned to eliminate duplicates D: 22 36.829 2.244 0.647 0.908 0.952 0.810 CB 1.622 E: 44 22.072 1.960 0.398 0.470 0.884 0.535 CA 1.433 F: 9 12.215 1.853 0.777 0.789 0.750 0.625 CA 1.356 G: 22 43.736 2.200 0.899 0.908 1.000 0.905 CB 1.622 22 residues pruned to eliminate duplicates H: 13 11.915 1.862 0.478 0.447 0.917 0.500 CB 1.440 I: 31 13.214 1.863 0.418 0.335 0.833 0.567 CA 1.312 J: 21 37.928 2.252 0.695 0.916 1.000 0.950 CB 1.569 21 residues pruned to eliminate duplicates K: 21 42.272 2.276 0.829 0.917 1.000 0.800 CB 1.602 22 residues pruned to eliminate duplicates L: 22 42.777 2.240 0.738 0.936 1.000 0.905 CA 1.670 22 residues pruned to eliminate duplicates M: 18 16.027 2.046 0.079 0.906 0.941 0.941 CB 1.330 N: 21 45.525 2.278 0.906 0.894 1.000 0.900 CB 1.682 21 residues pruned to eliminate duplicates O: 22 38.965 2.201 0.660 0.935 1.000 1.000 CB 1.622 22 residues pruned to eliminate duplicates P: 21 44.378 2.301 0.865 0.918 1.000 0.800 CB 1.631 21 residues pruned to eliminate duplicates Q: 12 22.126 2.069 0.578 0.907 1.000 0.727 CA 1.452 R: 22 38.821 2.222 1.024 0.914 0.905 0.619 CB 1.472 22 residues pruned to eliminate duplicates S: 17 16.727 1.794 0.451 0.886 0.938 0.812 CB 1.237 T: 76 40.325 2.067 0.549 0.558 0.933 0.600 CA 1.472 29 residues pruned to eliminate duplicates U: 17 21.369 1.983 0.552 0.845 0.938 0.375 CB 1.376 V: 27 10.813 1.816 0.573 0.346 0.769 0.462 CB 1.140 W: 8 11.786 1.915 0.754 0.797 0.714 0.714 CB 1.432 9 residues pruned to eliminate duplicates X: 21 41.478 2.279 0.893 0.924 1.000 0.700 CB 1.510 21 residues pruned to eliminate duplicates Y: 30 20.688 2.143 0.537 0.417 0.931 0.621 CB 1.367 10 residues pruned to eliminate duplicates Z: 64 33.582 2.030 0.583 0.574 0.921 0.635 CB 1.332 18 residues pruned to eliminate duplicates Z: 25 12.105 1.948 0.363 0.413 0.792 0.542 CB 1.287 19 residues pruned to eliminate duplicates Z: 14 12.331 2.074 0.427 0.510 0.769 0.538 CB 1.487 14 residues pruned to eliminate duplicates Z: 9 10.480 1.796 0.385 0.640 1.000 0.750 CA 1.306 Z: 13 13.533 2.130 0.446 0.465 0.833 0.583 CB 1.576 13 residues pruned to eliminate duplicates Z: 11 13.132 1.967 0.595 0.815 0.900 0.500 CB 1.118 11 residues pruned to eliminate duplicates Z: 20 35.944 2.185 0.836 0.885 0.947 0.895 CB 1.566 20 residues pruned to eliminate duplicates Z: 11 20.218 2.094 0.386 0.912 1.000 0.900 CA 1.560 11 residues pruned to eliminate duplicates Z: 11 14.150 2.188 0.269 0.794 1.000 0.800 CB 1.246 Z: 12 15.381 2.055 0.302 0.782 1.000 0.727 CB 1.352 11 residues pruned to eliminate duplicates Z: 14 12.909 2.042 0.472 0.550 0.769 0.769 CB 1.474 14 residues pruned to eliminate duplicates Z: 11 20.013 2.159 0.603 0.872 0.900 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 29 14.747 2.010 0.466 0.385 0.786 0.536 CA 1.360 22 residues pruned to eliminate duplicates Z: 29 20.490 2.141 0.562 0.390 0.857 0.464 CB 1.518 Z: 9 5.869 1.788 0.490 0.708 0.625 0.375 CA 1.032 9 residues pruned to eliminate duplicates Z: 61 27.822 1.987 0.497 0.473 0.900 0.583 CA 1.379 34 residues pruned to eliminate duplicates Z: 14 22.459 2.211 0.568 0.913 1.000 0.538 CB 1.272 13 residues pruned to eliminate duplicates Z: 20 34.889 2.256 0.711 0.917 0.947 0.737 CB 1.545 20 residues pruned to eliminate duplicates Z: 19 11.490 1.948 0.608 0.268 0.889 0.389 CB 1.266 13 residues pruned to eliminate duplicates Z: 7 2.388 1.687 0.070 0.379 0.667 0.500 CB 0.921 Z: 11 9.846 2.061 0.114 0.557 0.900 0.500 CB 1.425 11 residues pruned to eliminate duplicates Z: 44 23.339 1.990 0.370 0.441 0.977 0.581 CA 1.422 44 residues pruned to eliminate duplicates Z: 64 40.703 2.086 0.519 0.601 0.968 0.524 CA 1.518 66 residues pruned to eliminate duplicates Z: 16 11.737 1.944 0.274 0.358 1.000 0.533 CA 1.425 Z: 26 17.882 2.028 0.704 0.378 0.880 0.600 CA 1.339 26 residues pruned to eliminate duplicates Z: 12 11.848 2.085 0.673 0.330 0.818 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 11 9.753 2.007 0.154 0.555 0.900 0.400 CA 1.403 11 residues pruned to eliminate duplicates Z: 18 13.716 1.969 0.877 0.417 0.824 0.529 CA 1.192 18 residues pruned to eliminate duplicates Z: 14 24.698 2.120 0.486 0.921 1.000 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 22 42.685 2.270 0.824 0.918 1.000 0.667 CB 1.586 22 residues pruned to eliminate duplicates Z: 30 16.987 1.976 0.374 0.404 0.931 0.448 CB 1.382 34 residues pruned to eliminate duplicates Z: 29 20.269 2.036 0.404 0.489 0.964 0.536 CA 1.406 29 residues pruned to eliminate duplicates Z: 27 16.843 2.063 0.354 0.450 0.885 0.462 CA 1.407 29 residues pruned to eliminate duplicates Z: 18 19.606 1.991 0.231 0.893 1.000 0.882 CA 1.393 18 residues pruned to eliminate duplicates Z: 6 4.006 1.805 -0.408 0.569 1.000 0.600 CA 1.567 Z: 12 13.782 1.939 0.671 0.648 0.818 0.727 CB 1.366 Z: 34 16.153 1.977 0.424 0.421 0.848 0.576 CB 1.277 34 residues pruned to eliminate duplicates Z: 8 5.736 1.841 0.070 0.656 0.714 0.429 CB 1.334 Z: 27 24.440 2.166 0.668 0.437 0.923 0.500 CB 1.533 28 residues pruned to eliminate duplicates Z: 13 8.049 1.871 0.163 0.542 0.833 0.500 CB 1.229 13 residues pruned to eliminate duplicates Z: 16 7.682 1.891 0.444 0.263 0.733 0.400 CA 1.298 16 residues pruned to eliminate duplicates Z: 22 34.355 2.050 0.927 0.893 1.000 0.571 CB 1.362 22 residues pruned to eliminate duplicates Z: 22 33.671 2.211 0.763 0.885 0.952 0.619 CB 1.428 21 residues pruned to eliminate duplicates Z: 24 18.806 1.995 0.487 0.469 0.913 0.522 CA 1.494 25 residues pruned to eliminate duplicates Z: 30 16.972 1.810 0.500 0.529 0.862 0.448 CA 1.309 30 residues pruned to eliminate duplicates Z: 30 18.645 2.016 0.371 0.489 0.897 0.483 CA 1.413 30 residues pruned to eliminate duplicates Z: 16 20.307 2.092 0.520 0.833 0.867 0.600 CB 1.426 17 residues pruned to eliminate duplicates Z: 9 11.269 1.923 0.227 0.623 1.000 0.500 CA 1.504 9 residues pruned to eliminate duplicates Z: 18 15.444 2.041 0.286 0.571 0.941 0.706 CB 1.416 18 residues pruned to eliminate duplicates Z: 10 11.103 2.017 0.230 0.635 1.000 0.556 CA 1.314 10 residues pruned to eliminate duplicates Z: 39 26.820 2.089 0.511 0.509 0.921 0.658 CB 1.484 39 residues pruned to eliminate duplicates Z: 21 21.987 2.018 0.253 0.902 1.000 0.850 CB 1.388 21 residues pruned to eliminate duplicates Z: 18 8.974 1.891 0.392 0.438 0.647 0.412 CB 1.362 17 residues pruned to eliminate duplicates Z: 8 13.544 1.862 0.589 0.822 1.000 0.571 CA 1.308 8 residues pruned to eliminate duplicates Z: 20 10.865 1.910 0.336 0.367 0.895 0.526 CB 1.258 16 residues pruned to eliminate duplicates Z: 55 22.724 1.938 0.303 0.394 0.944 0.574 CB 1.450 37 residues pruned to eliminate duplicates Z: 50 21.990 1.965 0.281 0.378 0.939 0.531 CA 1.513 47 residues pruned to eliminate duplicates Z: 64 26.906 1.975 0.312 0.458 0.952 0.619 CA 1.433 65 residues pruned to eliminate duplicates Z: 18 17.259 1.897 0.633 0.788 0.824 0.353 CA 1.273 18 residues pruned to eliminate duplicates Z: 10 14.752 2.203 0.374 0.858 1.000 0.778 CB 1.196 10 residues pruned to eliminate duplicates Z: 22 44.526 2.196 1.137 0.880 0.952 0.619 CB 1.575 23 residues pruned to eliminate duplicates Z: 14 9.082 1.871 0.506 0.483 0.846 0.538 CA 1.076 14 residues pruned to eliminate duplicates Z: 18 22.249 1.970 0.430 0.906 1.000 0.765 CB 1.362 18 residues pruned to eliminate duplicates Z: 8 8.497 1.923 0.263 0.805 0.857 0.429 CB 1.182 8 residues pruned to eliminate duplicates Z: 30 19.965 2.070 0.527 0.446 0.862 0.621 CB 1.439 34 residues pruned to eliminate duplicates Z: 13 16.568 2.092 0.298 0.864 0.917 0.833 CB 1.408 12 residues pruned to eliminate duplicates Z: 24 15.383 1.791 0.611 0.605 0.870 0.696 CA 1.156 24 residues pruned to eliminate duplicates Z: 8 9.134 1.851 0.782 0.703 1.000 1.000 CB 0.870 Z: 22 25.639 1.984 0.408 0.920 1.000 0.952 CB 1.410 22 residues pruned to eliminate duplicates Z: 6 4.404 1.855 0.373 0.299 0.800 0.400 C 1.211 Z: 32 14.741 1.839 0.536 0.335 0.806 0.548 CB 1.391 Z: 8 15.176 1.959 0.835 0.663 0.857 0.571 O 1.600 14 residues pruned to eliminate duplicates Z: 21 42.052 2.277 0.960 0.921 0.950 0.650 CB 1.560 21 residues pruned to eliminate duplicates Z: 10 13.141 1.954 0.716 0.527 0.889 0.556 CA 1.430 Z: 25 13.489 1.845 0.248 0.401 1.000 0.500 CB 1.327 Z: 26 17.490 1.915 0.369 0.442 0.960 0.640 CA 1.476 26 residues pruned to eliminate duplicates Z: 21 11.103 1.922 0.351 0.295 0.850 0.300 CA 1.416 17 residues pruned to eliminate duplicates Z: 19 7.660 1.726 0.125 0.343 1.000 0.611 CB 1.103 21 residues pruned to eliminate duplicates Z: 9 8.275 1.898 0.593 0.339 1.000 0.375 CA 1.153 8 residues pruned to eliminate duplicates Z: 27 13.986 1.992 0.219 0.490 0.885 0.615 CB 1.289 10 residues pruned to eliminate duplicates Z: 26 18.972 2.124 0.499 0.489 0.880 0.680 CB 1.370 26 residues pruned to eliminate duplicates Z: 11 20.878 2.105 0.898 0.870 1.000 0.800 CB 1.206 11 residues pruned to eliminate duplicates Z: 6 8.375 1.744 0.259 0.851 1.000 0.600 CB 1.262 Z: 20 47.911 2.320 1.095 0.941 1.000 0.684 CB 1.569 20 residues pruned to eliminate duplicates Z: 17 21.571 1.916 0.831 0.794 0.938 0.875 CA 1.267 17 residues pruned to eliminate duplicates Z: 18 17.550 2.012 0.253 0.860 0.882 0.706 CB 1.407 18 residues pruned to eliminate duplicates Z: 34 26.403 2.107 0.621 0.500 0.909 0.667 CA 1.480 34 residues pruned to eliminate duplicates Z: 21 16.367 1.989 0.637 0.385 0.900 0.600 CA 1.411 19 residues pruned to eliminate duplicates Z: 11 8.860 1.962 0.416 0.345 0.800 0.500 N 1.491 Z: 8 7.636 1.890 0.324 0.423 0.857 0.571 CA 1.457 Z: 14 15.527 1.955 0.346 0.885 0.923 0.769 CB 1.281 12 residues pruned to eliminate duplicates Z: 9 12.237 2.041 0.539 0.593 0.875 0.625 CA 1.440 9 residues pruned to eliminate duplicates Z: 12 14.138 1.713 0.458 0.827 1.000 0.545 CA 1.286 12 residues pruned to eliminate duplicates Z: 12 8.701 1.597 0.369 0.598 0.818 0.636 N 1.336 9 residues pruned to eliminate duplicates Z: 7 6.408 1.903 0.225 0.754 0.833 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 26 13.029 1.948 0.306 0.358 0.880 0.480 CB 1.356 10 residues pruned to eliminate duplicates Z: 12 16.884 1.832 0.442 0.866 1.000 0.636 C 1.411 12 residues pruned to eliminate duplicates Z: 17 9.776 2.029 0.397 0.313 0.750 0.438 CA 1.414 17 residues pruned to eliminate duplicates Z: 11 18.762 2.209 0.491 0.813 1.000 0.800 CB 1.372 12 residues pruned to eliminate duplicates Z: 71 36.587 2.099 0.443 0.571 0.900 0.643 CA 1.498 70 residues pruned to eliminate duplicates Z: 19 18.064 2.027 0.466 0.507 1.000 0.667 CB 1.422 19 residues pruned to eliminate duplicates Z: 6 4.678 1.777 0.009 0.686 1.000 0.800 CB 0.984 Z: 8 9.533 1.708 0.508 0.892 0.857 0.714 CA 1.172 6 residues pruned to eliminate duplicates Z: 17 21.956 2.078 0.514 0.906 0.938 0.625 CB 1.323 17 residues pruned to eliminate duplicates Z: 21 25.512 2.015 0.649 0.892 0.950 0.500 CB 1.298 21 residues pruned to eliminate duplicates Z: 51 23.352 2.034 0.429 0.439 0.820 0.400 CB 1.475 51 residues pruned to eliminate duplicates Z: 53 26.739 2.019 0.328 0.469 0.962 0.596 CB 1.485 53 residues pruned to eliminate duplicates Z: 13 5.054 1.692 0.150 0.288 0.833 0.333 CB 1.141 Z: 27 17.861 1.998 0.447 0.419 0.923 0.577 CB 1.428 16 residues pruned to eliminate duplicates Z: 20 12.506 1.812 0.326 0.502 0.947 0.737 CB 1.257 8 residues pruned to eliminate duplicates Z: 19 14.819 2.041 0.301 0.510 0.944 0.778 CB 1.378 19 residues pruned to eliminate duplicates Z: 18 15.048 1.915 0.189 0.907 1.000 0.882 CA 1.139 18 residues pruned to eliminate duplicates Z: 30 15.658 1.882 0.271 0.454 1.000 0.483 CB 1.275 30 residues pruned to eliminate duplicates Z: 15 18.166 1.968 0.451 0.866 1.000 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 45 30.514 2.062 0.578 0.504 0.955 0.500 CB 1.475 45 residues pruned to eliminate duplicates Z: 28 16.351 1.917 0.396 0.513 0.852 0.667 CA 1.362 28 residues pruned to eliminate duplicates Z: 12 14.022 1.976 0.523 0.491 1.000 0.545 CB 1.418 13 residues pruned to eliminate duplicates Z: 7 4.296 1.885 -0.077 0.575 0.667 0.333 CB 1.406 8 residues pruned to eliminate duplicates Z: 13 16.125 1.924 0.586 0.524 1.000 0.583 N 1.490 12 residues pruned to eliminate duplicates Z: 9 10.838 1.831 0.398 0.599 0.875 0.750 CA 1.557 9 residues pruned to eliminate duplicates Z: 24 15.807 1.930 0.478 0.452 0.913 0.696 CA 1.329 24 residues pruned to eliminate duplicates Z: 18 24.090 2.039 0.518 0.839 0.941 0.706 CB 1.498 18 residues pruned to eliminate duplicates Z: 8 10.423 2.004 0.737 0.380 0.857 0.714 N 1.500 8 residues pruned to eliminate duplicates Z: 21 49.234 2.287 1.142 0.938 1.000 0.550 CB 1.562 21 residues pruned to eliminate duplicates Z: 6 4.837 1.911 0.091 0.487 0.800 0.600 N 1.315 Z: 20 38.138 2.312 0.670 0.889 1.000 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 22 35.871 2.193 0.603 0.907 1.000 0.905 CA 1.583 22 residues pruned to eliminate duplicates Z: 9 7.414 1.864 0.066 0.772 0.875 0.625 CA 1.185 9 residues pruned to eliminate duplicates Z: 6 5.437 1.809 0.525 0.568 1.000 0.800 CB 0.825 6 residues pruned to eliminate duplicates Z: 10 11.619 1.782 0.518 0.577 0.889 0.667 CB 1.495 9 residues pruned to eliminate duplicates Z: 30 28.249 2.058 0.740 0.514 0.897 0.379 CA 1.611 30 residues pruned to eliminate duplicates Z: 11 11.035 1.943 0.373 0.593 0.800 0.600 CA 1.496 11 residues pruned to eliminate duplicates Z: 20 44.089 2.288 1.155 0.936 0.947 0.474 CB 1.508 20 residues pruned to eliminate duplicates Z: 14 20.553 2.133 0.620 0.838 0.923 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 6 3.316 1.478 -0.268 0.788 1.000 1.000 O 1.065 5 residues pruned to eliminate duplicates Z: 45 19.024 1.950 0.388 0.428 0.864 0.500 CB 1.322 47 residues pruned to eliminate duplicates Z: 20 27.386 2.008 0.750 0.874 1.000 0.579 CB 1.302 20 residues pruned to eliminate duplicates Z: 12 20.255 1.966 1.018 0.817 0.909 0.727 CA 1.285 12 residues pruned to eliminate duplicates Z: 7 3.017 1.608 0.508 0.234 0.667 0.500 CA 1.038 7 residues pruned to eliminate duplicates Z: 12 16.792 2.109 0.524 0.498 1.000 0.636 CA 1.578 12 residues pruned to eliminate duplicates Z: 27 17.021 1.969 0.493 0.320 0.846 0.500 CA 1.637 27 residues pruned to eliminate duplicates Z: 6 3.473 1.554 0.517 0.406 0.800 0.600 N 0.910 Z: 27 17.809 1.985 0.446 0.467 0.923 0.538 CA 1.363 27 residues pruned to eliminate duplicates Z: 25 13.439 1.914 0.442 0.461 0.875 0.542 CB 1.181 25 residues pruned to eliminate duplicates Z: 19 20.973 2.075 0.255 0.875 0.944 0.722 CB 1.462 19 residues pruned to eliminate duplicates Z: 23 13.323 1.955 0.214 0.492 0.909 0.727 CB 1.327 23 residues pruned to eliminate duplicates Z: 11 5.443 1.758 0.151 0.470 0.700 0.400 CB 1.253 11 residues pruned to eliminate duplicates Z: 35 13.916 1.897 0.231 0.414 0.912 0.559 CB 1.227 35 residues pruned to eliminate duplicates Z: 17 24.492 2.076 0.618 0.937 1.000 0.812 CB 1.268 17 residues pruned to eliminate duplicates Z: 6 5.457 2.076 -0.150 0.434 1.000 0.400 CA 1.482 5 residues pruned to eliminate duplicates Z: 9 7.220 1.973 0.193 0.525 0.875 0.625 CB 1.209 Z: 9 7.477 1.857 0.644 0.361 0.875 0.500 CB 1.149 8 residues pruned to eliminate duplicates Z: 12 16.602 1.950 0.525 0.906 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 8 8.080 1.821 0.180 0.668 0.857 0.571 CB 1.420 8 residues pruned to eliminate duplicates Z: 13 7.586 1.872 0.130 0.408 0.917 0.417 CA 1.245 13 residues pruned to eliminate duplicates Z: 6 5.726 1.967 -0.117 0.722 0.800 0.600 CB 1.509 6 residues pruned to eliminate duplicates Z: 7 3.760 1.510 0.237 0.537 0.667 0.667 CA 1.189 Z: 23 14.659 1.989 0.290 0.467 1.000 0.591 CB 1.259 23 residues pruned to eliminate duplicates Z: 17 8.267 1.725 0.510 0.313 0.875 0.438 CB 1.115 20 residues pruned to eliminate duplicates Z: 13 9.870 1.974 0.428 0.473 0.833 0.750 CA 1.246 13 residues pruned to eliminate duplicates Z: 17 20.461 2.054 0.477 0.668 1.000 0.812 CB 1.444 17 residues pruned to eliminate duplicates Z: 7 6.024 1.604 0.160 0.647 0.833 0.833 O 1.384 Z: 8 8.085 1.850 0.562 0.777 0.714 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 12 15.077 2.133 0.369 0.866 0.909 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 23 14.383 1.964 0.286 0.452 0.909 0.727 CB 1.403 23 residues pruned to eliminate duplicates Z: 65 22.305 1.968 0.272 0.394 0.875 0.500 CA 1.424 65 residues pruned to eliminate duplicates Z: 11 13.554 1.964 0.322 0.663 0.900 0.500 CA 1.578 11 residues pruned to eliminate duplicates Z: 64 24.371 1.928 0.387 0.434 0.873 0.524 CB 1.409 64 residues pruned to eliminate duplicates Z: 32 22.064 2.097 0.649 0.429 0.871 0.516 CB 1.416 28 residues pruned to eliminate duplicates Z: 10 10.510 2.088 0.234 0.538 0.889 0.667 CA 1.474 10 residues pruned to eliminate duplicates Z: 16 12.698 1.948 0.371 0.419 0.933 0.400 CA 1.431 16 residues pruned to eliminate duplicates Z: 42 18.782 1.933 0.257 0.469 0.902 0.659 CB 1.381 42 residues pruned to eliminate duplicates Z: 61 25.444 1.978 0.273 0.433 0.950 0.633 CA 1.473 61 residues pruned to eliminate duplicates Z: 12 18.220 1.906 0.656 0.871 0.909 0.818 CB 1.396 12 residues pruned to eliminate duplicates Z: 14 11.229 1.974 0.329 0.475 0.846 0.692 CA 1.440 14 residues pruned to eliminate duplicates Z: 14 12.230 2.007 0.642 0.439 0.769 0.769 CB 1.425 14 residues pruned to eliminate duplicates Z: 6 4.969 1.659 -0.024 0.454 1.000 0.600 N 1.439 Z: 6 7.043 1.663 0.245 0.716 1.000 0.400 C 1.251 5 residues pruned to eliminate duplicates Z: 22 16.175 1.984 0.467 0.436 0.905 0.524 CA 1.431 22 residues pruned to eliminate duplicates Z: 13 10.882 1.998 0.626 0.450 0.917 0.417 CA 1.110 13 residues pruned to eliminate duplicates Z: 13 8.614 1.850 0.303 0.445 0.833 0.500 CA 1.311 Z: 8 7.988 1.706 0.524 0.593 0.857 0.571 CB 1.240 Z: 8 11.957 2.093 0.190 0.799 1.000 0.714 CB 1.397 8 residues pruned to eliminate duplicates Z: 11 7.383 1.835 0.278 0.495 0.900 0.500 CB 1.111 12 residues pruned to eliminate duplicates Z: 62 34.298 2.056 0.566 0.541 0.918 0.492 CA 1.428 62 residues pruned to eliminate duplicates Z: 13 8.060 1.857 0.269 0.401 0.917 0.500 CB 1.196 13 residues pruned to eliminate duplicates Z: 6 2.097 1.551 -0.307 0.285 1.000 0.600 CB 1.112 Z: 6 3.304 1.528 0.604 0.524 0.600 0.200 CB 0.982 6 residues pruned to eliminate duplicates Z: 24 12.838 1.888 0.352 0.437 0.913 0.522 CB 1.225 19 residues pruned to eliminate duplicates Z: 21 23.609 1.999 0.539 0.916 0.950 0.800 CB 1.276 21 residues pruned to eliminate duplicates Z: 27 24.005 2.154 0.626 0.553 0.885 0.654 CB 1.444 29 residues pruned to eliminate duplicates Z: 16 9.549 1.889 0.204 0.342 0.933 0.600 CA 1.379 16 residues pruned to eliminate duplicates Z: 10 8.944 1.750 0.434 0.448 0.889 0.444 CB 1.409 10 residues pruned to eliminate duplicates Z: 6 5.962 1.883 0.373 0.375 0.800 0.400 CB 1.473 6 residues pruned to eliminate duplicates Z: 16 8.631 1.880 0.149 0.362 0.933 0.600 CA 1.283 16 residues pruned to eliminate duplicates Z: 21 9.141 1.798 0.316 0.405 0.800 0.550 CB 1.193 21 residues pruned to eliminate duplicates Z: 6 3.547 1.634 -0.146 0.689 0.800 0.400 CA 1.195 6 residues pruned to eliminate duplicates Z: 6 6.602 1.705 0.059 0.823 1.000 0.600 CA 1.237 6 residues pruned to eliminate duplicates Z: 29 22.886 2.073 0.620 0.433 0.929 0.571 CB 1.487 28 residues pruned to eliminate duplicates Z: 7 3.059 1.736 -0.191 0.597 0.667 0.500 CB 1.216 7 residues pruned to eliminate duplicates Z: 6 6.921 1.733 0.090 0.671 1.000 1.000 CA 1.399 Z: 32 11.041 1.866 0.222 0.302 0.871 0.516 CA 1.245 31 residues pruned to eliminate duplicates Z: 6 7.866 1.935 0.566 0.443 0.800 0.400 CA 1.539 6 residues pruned to eliminate duplicates Z: 26 14.810 1.938 0.505 0.367 0.800 0.360 CB 1.464 22 residues pruned to eliminate duplicates Z: 19 11.406 1.887 0.424 0.407 0.833 0.500 CA 1.325 18 residues pruned to eliminate duplicates Z: 9 17.635 2.113 0.726 0.627 1.000 0.625 CA 1.518 9 residues pruned to eliminate duplicates Z: 19 20.472 1.972 0.469 0.832 0.944 0.611 CA 1.324 19 residues pruned to eliminate duplicates Z: 22 46.160 2.228 1.120 0.908 1.000 0.524 CB 1.514 21 residues pruned to eliminate duplicates Z: 11 6.580 1.928 -0.146 0.518 1.000 0.500 CB 1.242 11 residues pruned to eliminate duplicates Z: 10 10.451 1.879 0.356 0.588 0.889 0.667 N 1.415 10 residues pruned to eliminate duplicates Z: 11 4.118 1.639 0.634 0.365 0.800 0.600 CB 0.703 11 residues pruned to eliminate duplicates Z: 84 47.391 2.160 0.667 0.567 0.916 0.614 CB 1.479 91 residues pruned to eliminate duplicates Z: 9 5.712 1.817 0.718 0.285 0.750 0.375 CB 1.099 9 residues pruned to eliminate duplicates Z: 13 10.005 1.795 0.334 0.393 0.917 0.500 N 1.474 14 residues pruned to eliminate duplicates Z: 12 20.488 2.055 0.602 0.842 0.909 0.545 CA 1.538 12 residues pruned to eliminate duplicates Z: 6 3.149 1.552 0.397 0.445 0.600 0.400 CA 1.145 6 residues pruned to eliminate duplicates Z: 18 15.632 2.047 0.481 0.593 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 27 17.523 2.073 0.276 0.522 0.885 0.538 CA 1.437 27 residues pruned to eliminate duplicates Z: 7 3.462 1.719 0.445 0.317 0.500 0.500 CA 1.393 Z: 6 5.751 2.038 -0.037 0.581 1.000 0.600 CB 1.213 6 residues pruned to eliminate duplicates Z: 6 6.072 1.760 0.495 0.406 0.800 0.800 N 1.423 6 residues pruned to eliminate duplicates Z: 11 6.262 1.586 0.485 0.426 0.800 0.400 CB 1.136 11 residues pruned to eliminate duplicates Z: 9 3.662 1.603 0.096 0.197 0.875 0.500 CB 1.209 8 residues pruned to eliminate duplicates Z: 8 3.974 1.423 0.448 0.613 0.714 0.714 CB 0.918 Z: 20 19.040 1.857 0.511 0.816 0.947 0.632 CA 1.249 20 residues pruned to eliminate duplicates Z: 22 12.141 1.993 0.312 0.354 0.905 0.619 CB 1.311 22 residues pruned to eliminate duplicates Z: 12 11.742 1.790 0.593 0.637 0.909 0.818 N 1.201 Z: 34 18.036 1.992 0.410 0.473 0.909 0.394 CB 1.264 34 residues pruned to eliminate duplicates Z: 16 22.698 2.073 0.611 0.803 0.933 0.667 CB 1.444 16 residues pruned to eliminate duplicates Z: 24 19.614 2.090 0.460 0.552 0.913 0.522 CA 1.395 24 residues pruned to eliminate duplicates Z: 20 11.182 1.882 0.197 0.449 0.842 0.684 CB 1.425 19 residues pruned to eliminate duplicates Z: 22 8.421 1.931 0.061 0.327 0.857 0.333 CB 1.265 22 residues pruned to eliminate duplicates Z: 13 8.718 1.728 0.448 0.406 0.833 0.500 CA 1.333 13 residues pruned to eliminate duplicates Z: 24 34.363 2.312 0.827 0.675 0.957 0.739 CA 1.509 24 residues pruned to eliminate duplicates Z: 8 6.870 1.762 0.704 0.704 0.857 0.714 CA 0.838 8 residues pruned to eliminate duplicates Z: 50 19.176 1.942 0.280 0.384 0.898 0.490 CA 1.389 50 residues pruned to eliminate duplicates Z: 20 13.853 1.831 0.396 0.521 0.947 0.526 CB 1.285 25 residues pruned to eliminate duplicates Z: 6 4.879 1.614 -0.235 0.775 1.000 0.800 C 1.386 6 residues pruned to eliminate duplicates Z: 39 15.417 1.890 0.246 0.430 0.921 0.658 CB 1.241 39 residues pruned to eliminate duplicates Z: 39 16.577 1.870 0.523 0.356 0.842 0.526 CB 1.310 39 residues pruned to eliminate duplicates Z: 19 12.067 1.880 0.525 0.436 0.889 0.556 CA 1.192 19 residues pruned to eliminate duplicates Z: 9 9.587 1.828 0.356 0.852 0.875 0.875 CA 1.156 9 residues pruned to eliminate duplicates Z: 14 11.294 1.900 0.382 0.458 0.923 0.538 CA 1.350 14 residues pruned to eliminate duplicates Z: 10 13.364 1.825 0.569 0.896 1.000 1.000 CA 1.115 10 residues pruned to eliminate duplicates Z: 16 18.431 1.998 0.546 0.807 0.933 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 28 26.560 2.084 0.468 0.630 1.000 0.815 CB 1.479 14 residues pruned to eliminate duplicates Z: 20 14.180 1.901 0.655 0.315 0.895 0.526 CA 1.419 20 residues pruned to eliminate duplicates Z: 10 10.867 1.858 0.431 0.601 0.889 0.556 CB 1.393 10 residues pruned to eliminate duplicates Z: 11 6.890 1.779 0.016 0.465 1.000 0.500 CB 1.249 11 residues pruned to eliminate duplicates Z: 8 7.661 1.719 0.295 0.697 0.857 0.571 CB 1.268 8 residues pruned to eliminate duplicates Z: 15 11.533 1.904 0.478 0.476 0.929 0.714 CA 1.209 17 residues pruned to eliminate duplicates Z: 16 14.105 1.966 0.499 0.505 0.867 0.533 CA 1.419 16 residues pruned to eliminate duplicates Z: 9 12.388 2.171 0.442 0.389 0.875 0.625 CB 1.799 9 residues pruned to eliminate duplicates Z: 20 9.620 1.772 0.707 0.311 0.737 0.632 CB 1.221 20 residues pruned to eliminate duplicates Z: 7 15.469 1.952 0.773 0.875 1.000 0.833 CB 1.326 7 residues pruned to eliminate duplicates Z: 36 19.441 1.922 0.596 0.426 0.914 0.629 CB 1.265 36 residues pruned to eliminate duplicates Z: 9 6.675 1.972 0.374 0.299 0.875 0.500 CA 1.247 9 residues pruned to eliminate duplicates Z: 74 45.399 2.172 0.693 0.537 0.945 0.603 CB 1.474 74 residues pruned to eliminate duplicates Z: 8 9.210 1.816 0.248 0.806 0.857 0.857 CA 1.372 8 residues pruned to eliminate duplicates Z: 6 2.537 1.225 0.144 0.507 0.800 0.800 CB 1.005 Z: 18 9.684 1.885 0.319 0.318 0.882 0.471 CB 1.309 16 residues pruned to eliminate duplicates Z: 26 17.266 2.016 0.302 0.465 0.960 0.640 CA 1.421 26 residues pruned to eliminate duplicates Z: 28 12.078 1.888 0.394 0.308 0.815 0.444 CB 1.341 28 residues pruned to eliminate duplicates Z: 29 16.181 2.083 0.662 0.310 0.857 0.500 CB 1.273 29 residues pruned to eliminate duplicates Z: 19 23.223 2.063 0.446 0.857 0.944 0.611 CB 1.432 19 residues pruned to eliminate duplicates Z: 17 25.371 2.123 0.465 0.905 1.000 0.812 CB 1.452 17 residues pruned to eliminate duplicates Z: 12 15.601 2.028 0.291 0.798 1.000 0.818 CA 1.384 12 residues pruned to eliminate duplicates Z: 16 8.624 1.705 0.406 0.307 0.933 0.467 CA 1.233 16 residues pruned to eliminate duplicates Z: 17 21.076 1.926 0.564 0.872 1.000 0.688 CA 1.274 17 residues pruned to eliminate duplicates Z: 32 14.476 1.999 0.334 0.324 0.839 0.581 CB 1.410 32 residues pruned to eliminate duplicates Z: 20 22.408 1.835 0.706 0.874 0.947 0.579 CB 1.262 20 residues pruned to eliminate duplicates Z: 7 8.727 1.889 0.348 0.627 0.833 0.500 CB 1.490 7 residues pruned to eliminate duplicates Z: 11 13.793 1.791 0.615 0.920 1.000 0.800 CA 1.062 11 residues pruned to eliminate duplicates Z: 42 18.254 1.948 0.289 0.360 0.902 0.415 CB 1.463 42 residues pruned to eliminate duplicates Z: 21 9.331 1.814 0.599 0.411 0.650 0.400 CB 1.215 21 residues pruned to eliminate duplicates Z: 20 15.268 1.996 0.366 0.597 0.895 0.526 CA 1.309 20 residues pruned to eliminate duplicates Z: 19 5.238 1.615 0.221 0.315 0.833 0.444 CB 0.922 Z: 16 21.348 2.076 0.484 0.892 1.000 0.600 CB 1.286 16 residues pruned to eliminate duplicates Z: 6 4.165 1.953 0.395 0.456 0.800 0.400 CB 0.894 6 residues pruned to eliminate duplicates Z: 10 11.398 1.872 0.380 0.883 1.000 0.778 CA 1.063 10 residues pruned to eliminate duplicates Z: 31 15.904 1.919 0.516 0.435 0.800 0.600 CB 1.334 31 residues pruned to eliminate duplicates Z: 26 10.679 1.850 0.391 0.344 0.800 0.560 CA 1.230 26 residues pruned to eliminate duplicates Z: 8 3.021 1.404 -0.098 0.369 1.000 0.429 CB 1.037 Z: 68 37.984 2.051 0.468 0.574 0.955 0.612 CA 1.502 68 residues pruned to eliminate duplicates Z: 22 16.962 1.848 0.470 0.749 0.810 0.571 CA 1.347 22 residues pruned to eliminate duplicates Z: 12 16.237 2.072 0.360 0.840 1.000 0.818 CB 1.297 12 residues pruned to eliminate duplicates Z: 7 4.376 1.577 0.532 0.246 0.833 0.667 CB 1.188 5 residues pruned to eliminate duplicates Z: 15 23.890 2.125 0.789 0.840 0.929 0.500 CB 1.350 15 residues pruned to eliminate duplicates Z: 27 17.862 2.009 0.336 0.513 1.000 0.615 CA 1.287 27 residues pruned to eliminate duplicates Z: 18 19.773 1.912 0.587 0.816 0.941 0.647 CB 1.277 18 residues pruned to eliminate duplicates 6 1.632 1.511 0.218 0.652 0.800 0.800 CB 0.430 ? Z: 28 12.968 1.835 0.233 0.363 0.926 0.556 CB 1.380 28 residues pruned to eliminate duplicates Z: 22 47.225 2.256 0.948 0.913 1.000 0.714 CB 1.659 22 residues pruned to eliminate duplicates Z: 7 3.075 1.516 0.528 0.425 0.667 0.500 CB 0.879 Z: 64 30.216 2.003 0.444 0.563 0.921 0.619 CA 1.345 49 residues pruned to eliminate duplicates Z: 51 31.454 1.955 0.630 0.667 0.980 0.600 CB 1.220 51 residues pruned to eliminate duplicates Z: 7 4.969 1.754 0.084 0.667 0.667 0.667 CB 1.371 7 residues pruned to eliminate duplicates Z: 10 8.622 1.892 0.253 0.625 1.000 0.667 CB 1.077 11 residues pruned to eliminate duplicates Z: 21 24.543 2.011 0.929 0.641 1.000 0.550 CB 1.240 21 residues pruned to eliminate duplicates Z: 8 3.868 1.707 0.248 0.225 0.714 0.429 CB 1.325 8 residues pruned to eliminate duplicates Z: 7 3.402 1.541 0.627 0.436 0.500 0.500 C 1.183 7 residues pruned to eliminate duplicates Z: 23 14.454 1.889 0.353 0.491 0.909 0.727 CB 1.339 23 residues pruned to eliminate duplicates Z: 62 36.713 1.998 0.589 0.591 0.967 0.705 CA 1.402 36 residues pruned to eliminate duplicates Z: 8 9.119 1.829 0.435 0.885 0.857 0.429 CB 1.106 8 residues pruned to eliminate duplicates Z: 21 17.289 1.971 0.756 0.337 0.900 0.450 CA 1.483 21 residues pruned to eliminate duplicates Z: 32 33.114 2.167 0.625 0.711 0.935 0.742 CA 1.491 32 residues pruned to eliminate duplicates Z: 19 29.162 2.068 0.593 0.928 1.000 0.778 CB 1.461 19 residues pruned to eliminate duplicates 7 1.292 1.401 -0.008 0.341 0.667 0.500 CB 0.677 ? Z: 17 10.110 1.955 0.347 0.393 0.812 0.500 CB 1.323 17 residues pruned to eliminate duplicates Z: 21 16.266 1.894 0.392 0.490 1.000 0.600 CA 1.394 21 residues pruned to eliminate duplicates Z: 16 11.833 1.845 0.447 0.638 0.933 0.533 CA 1.077 Z: 9 6.257 1.753 0.412 0.534 0.750 0.625 CB 1.152 Z: 9 5.301 1.719 0.690 0.187 0.875 0.500 N 1.073 7 1.521 1.391 0.025 0.584 0.833 0.667 CB 0.482 ? Z: 53 29.031 1.932 0.590 0.649 0.981 0.654 CB 1.163 53 residues pruned to eliminate duplicates Z: 7 6.163 1.894 0.023 0.592 0.833 0.333 CA 1.428 7 residues pruned to eliminate duplicates Z: 16 7.862 1.710 0.708 0.276 0.800 0.467 CA 1.119 16 residues pruned to eliminate duplicates Z: 44 26.054 2.033 0.607 0.479 0.860 0.558 CB 1.444 44 residues pruned to eliminate duplicates Z: 7 11.654 2.005 0.703 0.689 0.833 0.833 CB 1.406 7 residues pruned to eliminate duplicates Z: 12 14.625 2.087 0.522 0.602 0.818 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 18 10.946 1.946 0.367 0.402 0.824 0.706 CA 1.344 18 residues pruned to eliminate duplicates Z: 6 2.979 1.619 0.004 0.289 0.800 0.600 CA 1.298 6 residues pruned to eliminate duplicates Z: 10 4.899 1.552 0.146 0.433 0.778 0.444 CB 1.266 Z: 54 25.389 1.982 0.401 0.471 0.925 0.585 CB 1.399 54 residues pruned to eliminate duplicates Z: 9 10.114 2.131 0.630 0.369 0.875 0.500 CA 1.355 9 residues pruned to eliminate duplicates Z: 25 12.545 1.873 0.500 0.513 0.708 0.292 CB 1.271 25 residues pruned to eliminate duplicates 6 1.999 1.249 0.049 0.554 0.800 0.600 CB 0.809 ? Z: 6 3.629 1.369 0.408 0.314 1.000 0.600 CB 1.034 Z: 11 16.324 1.768 0.686 0.913 1.000 0.800 CA 1.225 Z: 16 21.796 2.096 0.575 0.874 0.933 0.533 CB 1.330 16 residues pruned to eliminate duplicates Z: 23 17.150 1.954 0.404 0.502 0.955 0.773 CB 1.393 23 residues pruned to eliminate duplicates Z: 30 16.332 1.934 0.307 0.412 0.931 0.552 CA 1.413 30 residues pruned to eliminate duplicates Z: 7 3.267 1.654 0.424 0.389 0.667 0.500 CA 0.956 7 residues pruned to eliminate duplicates Z: 12 6.912 1.826 0.217 0.414 0.909 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 7 4.153 1.616 0.412 0.245 0.833 0.333 CB 1.197 Z: 25 21.743 2.088 0.828 0.365 0.958 0.625 CB 1.403 25 residues pruned to eliminate duplicates Z: 7 9.526 1.722 0.796 0.621 0.833 0.667 N 1.347 Z: 6 2.514 1.294 0.335 0.456 1.000 0.600 CB 0.681 Z: 15 9.961 1.878 0.423 0.344 0.929 0.500 CA 1.271 15 residues pruned to eliminate duplicates Z: 6 3.483 1.627 0.375 0.278 0.800 0.600 C 1.118 Z: 25 18.440 1.963 0.398 0.551 0.958 0.625 CA 1.362 25 residues pruned to eliminate duplicates Z: 12 20.660 2.060 0.634 0.769 1.000 0.727 CB 1.458 12 residues pruned to eliminate duplicates Z: 21 37.651 2.214 0.693 0.855 1.000 0.800 CB 1.657 21 residues pruned to eliminate duplicates Z: 64 42.548 2.148 0.633 0.577 0.937 0.667 CB 1.515 64 residues pruned to eliminate duplicates Z: 20 44.825 2.272 0.871 0.905 1.000 0.421 CB 1.723 20 residues pruned to eliminate duplicates Z: 11 5.750 1.898 0.359 0.335 0.900 0.500 CA 0.937 11 residues pruned to eliminate duplicates Z: 13 9.074 1.672 0.776 0.384 0.750 0.500 N 1.331 13 residues pruned to eliminate duplicates Z: 6 2.376 1.595 -0.002 0.440 0.800 0.400 CB 0.888 Z: 23 19.993 2.189 0.652 0.348 0.864 0.455 CB 1.610 23 residues pruned to eliminate duplicates Z: 35 27.478 2.063 0.522 0.615 0.912 0.765 CB 1.477 55 residues pruned to eliminate duplicates Z: 7 4.734 1.885 0.199 0.372 0.667 0.500 CA 1.472 Z: 6 2.165 1.394 0.539 0.284 0.600 0.400 CB 0.959 Z: 8 2.127 1.495 0.308 0.258 0.714 0.286 CB 0.760 Z: 11 10.693 2.027 0.359 0.550 0.900 0.700 CA 1.299 11 residues pruned to eliminate duplicates Z: 10 11.099 1.884 1.284 0.433 0.778 0.444 CB 1.185 10 residues pruned to eliminate duplicates Z: 15 21.263 2.035 0.778 0.911 0.929 0.643 CA 1.199 15 residues pruned to eliminate duplicates Z: 11 2.576 1.594 -0.053 0.256 0.700 0.400 CA 1.021 11 residues pruned to eliminate duplicates Z: 7 5.516 1.768 0.148 0.548 0.833 0.333 CA 1.270 7 residues pruned to eliminate duplicates Z: 56 20.326 1.908 0.407 0.402 0.873 0.491 CB 1.297 50 residues pruned to eliminate duplicates Z: 11 14.944 1.938 0.641 0.572 0.900 0.600 CB 1.539 11 residues pruned to eliminate duplicates Z: 28 18.963 2.018 0.563 0.451 0.852 0.519 CB 1.427 28 residues pruned to eliminate duplicates Z: 17 7.022 1.846 0.267 0.244 0.750 0.562 CB 1.346 31 residues pruned to eliminate duplicates 6 1.792 1.139 0.405 0.299 0.800 0.600 CB 0.784 ? Z: 16 6.465 1.817 0.349 0.242 0.800 0.533 CA 1.147 13 residues pruned to eliminate duplicates Z: 9 6.116 1.714 0.685 0.331 0.625 0.250 CA 1.440 Z: 11 10.364 1.683 0.387 0.836 1.000 0.800 CA 1.051 11 residues pruned to eliminate duplicates Z: 19 12.307 1.854 0.252 0.429 0.944 0.500 CB 1.424 19 residues pruned to eliminate duplicates Z: 11 7.813 1.971 0.332 0.330 0.900 0.600 CB 1.259 13 residues pruned to eliminate duplicates Z: 8 3.714 1.486 0.175 0.398 0.857 0.714 CA 1.045 Z: 26 15.097 1.986 0.282 0.472 0.920 0.640 CB 1.326 26 residues pruned to eliminate duplicates Z: 25 11.142 1.815 0.327 0.399 0.875 0.500 CB 1.200 25 residues pruned to eliminate duplicates Z: 27 23.005 2.187 0.430 0.519 0.923 0.577 CB 1.534 28 residues pruned to eliminate duplicates Z: 16 11.367 1.880 0.413 0.420 0.933 0.800 CB 1.288 16 residues pruned to eliminate duplicates Z: 18 5.736 1.549 0.260 0.246 0.824 0.647 CA 1.161 18 residues pruned to eliminate duplicates Z: 49 15.847 1.855 0.289 0.378 0.875 0.562 CA 1.245 49 residues pruned to eliminate duplicates Z: 11 10.086 1.942 0.437 0.499 0.800 0.600 CA 1.431 11 residues pruned to eliminate duplicates Z: 31 16.480 1.999 0.513 0.402 0.800 0.500 CA 1.379 37 residues pruned to eliminate duplicates Z: 17 8.007 1.887 0.142 0.377 0.812 0.500 CB 1.303 17 residues pruned to eliminate duplicates Z: 9 3.660 1.337 0.484 0.376 0.750 0.625 CB 0.993 Z: 9 8.065 1.684 0.162 0.535 1.000 0.500 CB 1.409 6 residues pruned to eliminate duplicates Z: 11 5.428 1.891 0.190 0.352 0.900 0.500 CA 0.994 11 residues pruned to eliminate duplicates Z: 7 2.593 1.474 0.525 0.602 0.667 0.500 CB 0.641 Z: 8 3.699 1.695 0.047 0.484 0.857 0.714 CA 0.934 8 residues pruned to eliminate duplicates Z: 7 7.372 1.947 -0.078 0.671 1.000 0.500 CB 1.432 7 residues pruned to eliminate duplicates Z: 7 2.173 1.332 0.213 0.457 1.000 0.333 CB 0.574 Z: 12 9.519 1.890 0.479 0.407 0.909 0.545 CA 1.245 12 residues pruned to eliminate duplicates Z: 6 2.103 1.343 1.169 0.250 0.800 0.400 CB 0.538 Z: 9 13.422 2.074 0.513 0.561 1.000 0.500 CB 1.425 9 residues pruned to eliminate duplicates Z: 30 24.088 1.997 0.616 0.629 0.862 0.448 CB 1.424 30 residues pruned to eliminate duplicates Z: 20 10.994 1.928 0.100 0.506 1.000 0.684 CB 1.182 20 residues pruned to eliminate duplicates Z: 30 20.143 2.018 0.208 0.677 0.862 0.724 CB 1.513 25 residues pruned to eliminate duplicates Z: 25 31.871 2.143 0.789 0.648 0.917 0.792 CA 1.612 25 residues pruned to eliminate duplicates Z: 8 3.670 1.378 -0.052 0.459 1.000 0.571 N 1.108 Z: 9 8.689 1.776 0.652 0.585 0.875 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 7 2.096 1.227 0.243 0.495 1.000 0.667 CB 0.565 Z: 20 14.996 1.890 0.620 0.472 0.842 0.684 CA 1.373 20 residues pruned to eliminate duplicates Z: 19 10.697 1.892 0.400 0.433 0.889 0.611 CB 1.148 19 residues pruned to eliminate duplicates Z: 37 14.843 1.807 0.365 0.389 0.861 0.639 CA 1.310 37 residues pruned to eliminate duplicates Z: 12 7.931 1.939 0.148 0.391 0.909 0.545 CA 1.328 12 residues pruned to eliminate duplicates Z: 9 8.091 1.855 0.396 0.501 0.750 0.500 CB 1.471 9 residues pruned to eliminate duplicates Z: 18 12.254 1.859 0.542 0.413 0.882 0.647 CB 1.287 18 residues pruned to eliminate duplicates Z: 10 5.672 1.348 0.709 0.456 0.889 0.556 CA 0.966 10 residues pruned to eliminate duplicates Z: 19 12.793 1.967 0.326 0.455 0.833 0.667 CB 1.452 20 residues pruned to eliminate duplicates Z: 8 5.776 1.428 0.474 0.665 0.857 0.714 C 1.039 Z: 19 23.038 2.050 0.482 0.836 0.944 0.722 CA 1.417 19 residues pruned to eliminate duplicates Z: 6 4.760 1.814 0.093 0.470 0.800 0.600 N 1.384 Z: 11 4.643 1.423 0.234 0.397 0.900 0.500 CA 1.035 Z: 22 12.865 1.920 0.229 0.431 0.905 0.667 CB 1.413 22 residues pruned to eliminate duplicates Z: 34 25.343 2.146 0.494 0.519 0.909 0.545 CB 1.486 34 residues pruned to eliminate duplicates Z: 6 2.595 1.321 0.200 0.449 0.800 0.600 CB 0.964 Z: 8 5.594 1.372 0.459 0.405 1.000 0.571 N 1.167 Z: 21 15.125 1.912 0.463 0.442 0.950 0.750 CA 1.351 21 residues pruned to eliminate duplicates Z: 15 18.120 1.940 0.443 0.818 1.000 0.786 CA 1.313 15 residues pruned to eliminate duplicates Z: 7 4.595 1.192 0.821 0.605 0.833 0.667 C 0.939 7 residues pruned to eliminate duplicates Z: 25 19.859 1.951 0.587 0.623 0.875 0.417 CB 1.332 26 residues pruned to eliminate duplicates Z: 23 8.962 1.757 0.363 0.305 0.864 0.500 CB 1.148 23 residues pruned to eliminate duplicates Z: 52 19.654 1.918 0.292 0.371 0.882 0.490 CA 1.444 52 residues pruned to eliminate duplicates Z: 16 19.652 1.775 0.662 0.859 1.000 0.800 CB 1.266 16 residues pruned to eliminate duplicates Z: 12 11.184 1.883 0.544 0.526 1.000 0.818 CB 1.129 12 residues pruned to eliminate duplicates Z: 83 33.593 1.964 0.480 0.520 0.866 0.549 CA 1.446 83 residues pruned to eliminate duplicates Z: 29 14.631 1.890 0.475 0.411 0.821 0.536 CB 1.325 29 residues pruned to eliminate duplicates Z: 6 2.994 1.468 0.447 0.315 0.800 0.600 CB 0.967 Z: 13 9.896 1.803 0.574 0.473 0.833 0.667 CB 1.242 13 residues pruned to eliminate duplicates Z: 13 7.683 1.722 0.318 0.327 0.833 0.750 C 1.418 13 residues pruned to eliminate duplicates Z: 6 2.743 1.634 -0.057 0.475 0.800 0.600 CB 1.020 7 1.876 1.384 0.566 0.188 0.500 0.333 N 1.026 ? Z: 14 8.925 1.772 0.437 0.338 0.846 0.692 CB 1.371 16 residues pruned to eliminate duplicates Z: 15 16.460 2.065 0.546 0.506 0.929 0.643 CA 1.475 16 residues pruned to eliminate duplicates Z: 8 2.618 1.535 0.256 0.375 0.857 0.571 N 0.684 Z: 11 15.546 2.176 0.730 0.436 0.900 0.600 CA 1.551 11 residues pruned to eliminate duplicates Z: 6 3.159 1.723 0.047 0.287 0.800 0.800 N 1.245 Z: 6 2.111 1.274 0.469 0.159 1.000 0.400 N 0.766 Z: 13 15.057 1.994 0.713 0.456 0.917 0.500 CB 1.452 13 residues pruned to eliminate duplicates Z: 59 22.819 1.966 0.261 0.493 0.914 0.586 CA 1.333 59 residues pruned to eliminate duplicates Z: 9 7.774 1.771 0.302 0.523 0.875 0.500 CA 1.332 9 residues pruned to eliminate duplicates Z: 23 10.503 1.881 0.327 0.406 0.773 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 10 2.722 1.495 0.021 0.150 0.778 0.333 CB 1.175 10 residues pruned to eliminate duplicates Z: 7 6.351 2.067 0.539 0.240 0.833 0.833 CB 1.321 7 residues pruned to eliminate duplicates Z: 12 12.126 1.736 1.145 0.812 0.727 0.545 CB 1.029 12 residues pruned to eliminate duplicates Z: 6 3.742 1.311 0.646 0.449 0.800 0.400 CB 1.021 Z: 7 2.507 1.517 0.206 0.250 0.667 0.333 CB 1.120 Z: 19 12.973 1.866 0.430 0.428 0.944 0.556 CA 1.308 19 residues pruned to eliminate duplicates Z: 16 14.876 1.876 0.451 0.616 0.933 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 8 2.738 1.180 0.191 0.429 0.857 0.571 CA 0.924 Z: 8 4.784 1.497 0.548 0.417 0.714 0.429 O 1.191 8 residues pruned to eliminate duplicates Z: 10 2.810 1.362 0.181 0.292 0.778 0.333 N 0.946 Z: 8 10.843 1.922 0.698 0.556 0.857 0.714 CB 1.388 8 residues pruned to eliminate duplicates Z: 6 4.693 1.621 -0.015 0.633 1.000 0.600 O 1.159 6 residues pruned to eliminate duplicates Z: 19 11.099 1.864 0.221 0.396 0.944 0.500 CB 1.358 19 residues pruned to eliminate duplicates Z: 16 14.460 2.042 0.415 0.448 0.867 0.667 CA 1.572 16 residues pruned to eliminate duplicates 6 1.946 1.153 0.208 0.450 1.000 0.600 C 0.657 ? Z: 16 7.840 1.667 0.394 0.531 0.733 0.400 CA 1.152 16 residues pruned to eliminate duplicates Z: 31 32.495 2.164 0.599 0.724 0.933 0.800 CB 1.500 31 residues pruned to eliminate duplicates Z: 8 5.664 1.674 0.104 0.593 1.000 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 13 8.638 1.796 0.531 0.363 0.833 0.667 CB 1.262 13 residues pruned to eliminate duplicates Z: 6 2.907 1.705 0.089 0.516 0.600 0.600 CA 1.149 6 residues pruned to eliminate duplicates Z: 6 3.620 1.548 -0.098 0.688 1.000 0.800 CB 0.977 7 residues pruned to eliminate duplicates Z: 11 3.879 1.817 0.346 0.097 0.700 0.600 CA 1.201 11 residues pruned to eliminate duplicates Z: 8 6.029 1.757 -0.067 0.585 1.000 0.571 CB 1.281 8 residues pruned to eliminate duplicates Z: 19 14.186 1.890 0.313 0.520 0.944 0.667 CB 1.398 19 residues pruned to eliminate duplicates Z: 27 12.258 1.871 0.235 0.411 0.962 0.577 CB 1.187 27 residues pruned to eliminate duplicates Z: 17 7.672 1.801 0.336 0.313 0.812 0.500 CA 1.208 17 residues pruned to eliminate duplicates Z: 49 23.602 1.980 0.337 0.483 0.917 0.625 CB 1.429 49 residues pruned to eliminate duplicates Z: 6 2.896 1.377 0.278 0.379 0.800 0.600 CB 1.046 Z: 7 9.421 1.694 0.328 0.787 1.000 0.500 CA 1.329 7 residues pruned to eliminate duplicates Z: 9 4.538 1.668 0.298 0.418 0.750 0.375 CB 1.076 Z: 30 25.387 2.115 0.385 0.625 0.931 0.793 CB 1.537 30 residues pruned to eliminate duplicates Z: 41 27.232 2.047 0.555 0.549 0.950 0.525 CB 1.357 41 residues pruned to eliminate duplicates Z: 7 10.751 1.900 0.324 0.855 1.000 0.667 CA 1.288 7 residues pruned to eliminate duplicates Z: 8 8.601 1.754 0.638 0.701 0.857 0.429 CB 1.099 8 residues pruned to eliminate duplicates Z: 6 5.567 1.581 0.373 0.645 1.000 0.600 CA 1.001 6 residues pruned to eliminate duplicates 7 1.511 1.252 0.598 0.345 0.833 0.500 CB 0.438 ? 7 1.826 1.436 0.264 0.083 0.667 0.167 N 1.056 ? Z: 34 21.126 1.934 0.342 0.675 0.909 0.697 CB 1.327 34 residues pruned to eliminate duplicates Z: 6 4.226 1.616 0.402 0.373 0.800 0.800 N 1.194 Z: 18 12.969 1.929 0.521 0.457 0.824 0.647 CA 1.361 18 residues pruned to eliminate duplicates Z: 20 11.650 1.846 0.474 0.310 0.842 0.421 CA 1.440 20 residues pruned to eliminate duplicates Z: 28 22.940 1.999 0.316 0.660 1.000 0.852 CA 1.447 36 residues pruned to eliminate duplicates Z: 7 2.055 1.474 0.154 0.083 0.833 0.667 CB 1.014 Z: 26 17.727 1.991 0.418 0.517 0.880 0.640 CA 1.404 26 residues pruned to eliminate duplicates Z: 17 19.126 1.889 0.399 0.912 0.938 0.625 CB 1.366 17 residues pruned to eliminate duplicates Z: 42 17.994 1.888 0.267 0.588 0.902 0.659 CB 1.197 42 residues pruned to eliminate duplicates Z: 10 5.018 1.341 0.370 0.398 1.000 0.556 CA 1.013 4 residues pruned to eliminate duplicates Z: 26 14.221 1.858 0.442 0.330 0.920 0.520 CA 1.391 26 residues pruned to eliminate duplicates Z: 14 8.501 1.989 0.707 0.192 0.846 0.538 CA 1.185 14 residues pruned to eliminate duplicates 6 1.436 1.234 0.331 0.458 1.000 0.800 N 0.408 ? Z: 7 3.139 1.653 0.580 0.391 0.667 0.500 CB 0.825 Z: 6 2.988 1.375 0.296 0.562 0.800 0.400 N 0.883 Z: 14 5.716 1.669 0.076 0.458 0.846 0.462 CB 1.089 14 residues pruned to eliminate duplicates Z: 11 5.536 1.353 0.606 0.516 0.900 0.500 CB 0.881 Z: 6 6.190 1.904 -0.060 0.604 1.000 0.800 CB 1.402 6 residues pruned to eliminate duplicates Z: 21 11.783 1.883 0.669 0.442 0.800 0.550 CB 1.112 21 residues pruned to eliminate duplicates Z: 34 19.547 1.944 0.498 0.401 0.879 0.455 CA 1.477 34 residues pruned to eliminate duplicates 6 1.394 1.639 0.024 0.273 0.600 0.600 CB 0.801 ? Z: 8 4.726 1.351 0.891 0.464 0.714 0.571 N 1.016 6 1.502 1.283 0.205 0.457 0.800 0.600 CB 0.567 ? Z: 9 10.259 1.927 0.297 0.593 1.000 0.750 CB 1.327 8 residues pruned to eliminate duplicates Z: 11 16.642 2.071 0.657 0.558 1.000 0.500 CA 1.450 11 residues pruned to eliminate duplicates Z: 6 12.907 1.875 0.863 0.762 1.000 1.000 CA 1.309 6 residues pruned to eliminate duplicates Z: 66 45.261 2.135 0.717 0.594 0.908 0.492 CB 1.542 66 residues pruned to eliminate duplicates 7 1.551 1.542 0.372 0.384 0.667 0.500 CB 0.508 ? Z: 8 7.129 2.024 0.503 0.217 0.857 0.429 CA 1.440 8 residues pruned to eliminate duplicates Z: 8 2.305 1.412 -0.095 0.386 0.857 0.571 CA 0.897 Z: 10 11.592 1.853 0.208 0.858 0.889 0.667 CB 1.430 Z: 7 2.813 1.661 0.027 0.485 0.833 0.667 CB 0.820 Z: 19 13.387 1.725 0.471 0.533 0.944 0.556 CA 1.273 19 residues pruned to eliminate duplicates Z: 7 3.343 1.650 0.012 0.322 1.000 0.333 CB 0.993 Z: 10 7.014 1.645 0.368 0.551 0.778 0.667 N 1.271 10 residues pruned to eliminate duplicates Z: 17 11.420 1.939 0.561 0.444 0.812 0.562 CA 1.229 17 residues pruned to eliminate duplicates Z: 22 9.547 1.822 0.473 0.319 0.857 0.429 CA 1.106 22 residues pruned to eliminate duplicates Z: 7 3.038 1.421 0.106 0.524 0.833 0.833 N 0.925 Z: 15 5.531 1.627 0.542 0.253 0.857 0.357 CA 0.912 15 residues pruned to eliminate duplicates Z: 85 48.484 2.181 0.551 0.567 0.952 0.643 CB 1.540 84 residues pruned to eliminate duplicates Z: 8 4.577 1.612 0.197 0.376 0.857 0.571 CB 1.194 9 residues pruned to eliminate duplicates 7 1.166 0.981 0.352 0.454 0.667 0.500 CA 0.564 ? Z: 6 5.325 1.753 -0.214 0.711 1.000 0.800 N 1.427 6 residues pruned to eliminate duplicates Z: 15 6.978 1.674 0.789 0.331 0.714 0.429 CA 1.050 15 residues pruned to eliminate duplicates Z: 8 4.506 1.581 0.491 0.445 0.857 0.571 CB 0.892 9 residues pruned to eliminate duplicates Z: 6 4.189 1.950 0.079 0.535 0.800 0.600 CB 1.076 6 residues pruned to eliminate duplicates Z: 14 10.697 1.991 0.505 0.396 0.923 0.385 CA 1.197 14 residues pruned to eliminate duplicates Z: 25 13.864 1.933 0.392 0.336 0.917 0.375 CA 1.373 25 residues pruned to eliminate duplicates Z: 7 10.122 2.035 0.419 0.888 0.833 0.333 CB 1.237 7 residues pruned to eliminate duplicates Z: 10 2.983 1.388 0.667 0.164 0.667 0.444 CB 0.970 Z: 12 10.280 1.883 0.331 0.502 0.909 0.455 N 1.358 12 residues pruned to eliminate duplicates Z: 9 2.450 1.195 0.053 0.431 0.750 0.375 C 0.986 Z: 33 19.785 1.949 0.257 0.658 0.906 0.594 CA 1.360 33 residues pruned to eliminate duplicates Z: 7 7.390 2.037 0.678 0.381 0.667 0.500 CA 1.503 7 residues pruned to eliminate duplicates 6 1.825 1.557 -0.142 0.297 0.800 0.600 CB 0.958 ? 6 0.487 1.325 0.239 0.297 0.400 0.400 N 0.416 ? Z: 17 13.813 2.093 0.419 0.574 0.750 0.750 CB 1.444 17 residues pruned to eliminate duplicates Z: 6 3.941 1.598 0.480 0.612 0.600 0.400 CA 1.117 6 residues pruned to eliminate duplicates Z: 28 42.281 2.244 0.819 0.746 0.963 0.630 CA 1.661 28 residues pruned to eliminate duplicates Z: 10 22.857 2.129 0.756 0.896 1.000 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 17 27.623 2.025 0.901 0.884 0.938 0.375 CA 1.383 17 residues pruned to eliminate duplicates Z: 26 14.359 1.943 0.316 0.426 0.920 0.560 CA 1.319 26 residues pruned to eliminate duplicates Z: 9 4.040 1.493 0.217 0.455 0.875 0.625 CA 0.941 Z: 18 10.780 1.941 0.382 0.412 0.824 0.706 CA 1.298 18 residues pruned to eliminate duplicates Z: 6 2.847 1.255 0.548 0.514 0.800 0.600 CB 0.808 Z: 6 5.070 1.512 0.419 0.715 0.800 0.600 CA 1.087 Z: 13 2.289 1.422 0.697 0.081 0.667 0.167 CB 0.707 Z: 8 3.483 1.850 -0.213 0.416 1.000 0.286 CB 0.988 8 residues pruned to eliminate duplicates 6 1.638 1.451 0.342 0.284 0.600 0.600 N 0.800 ? Z: 12 4.659 1.617 0.372 0.318 0.909 0.364 CB 0.852 12 residues pruned to eliminate duplicates Z: 6 3.321 1.308 0.204 0.358 1.000 0.600 O 1.099 6 1.841 1.102 0.082 0.489 1.000 0.600 CA 0.699 ? Z: 10 9.072 1.713 0.241 0.574 1.000 0.778 CA 1.324 10 residues pruned to eliminate duplicates Z: 8 3.853 1.297 0.810 0.299 1.000 0.714 CB 0.777 Z: 15 6.171 1.696 0.416 0.326 0.714 0.500 CB 1.164 15 residues pruned to eliminate duplicates 6 1.336 1.359 0.372 0.296 0.600 0.400 CB 0.671 ? Z: 9 8.928 1.641 0.246 0.657 1.000 0.500 N 1.335 9 residues pruned to eliminate duplicates Z: 10 5.402 1.656 0.366 0.476 0.889 0.556 CB 0.917 Z: 19 12.600 1.965 0.374 0.385 0.889 0.500 CA 1.398 19 residues pruned to eliminate duplicates 6 0.622 1.127 0.375 0.298 0.600 0.400 CB 0.374 ? Z: 9 4.977 1.450 0.408 0.599 0.875 0.625 CB 0.896 8 residues pruned to eliminate duplicates Z: 31 17.296 1.956 0.340 0.479 0.900 0.533 CA 1.368 31 residues pruned to eliminate duplicates Z: 18 7.627 1.738 0.347 0.290 0.765 0.471 CB 1.308 18 residues pruned to eliminate duplicates Z: 7 2.800 1.375 0.316 0.335 0.833 0.500 O 0.907 7 residues pruned to eliminate duplicates Z: 11 10.325 1.934 0.340 0.737 1.000 0.700 CA 1.018 11 residues pruned to eliminate duplicates Z: 8 5.419 2.100 0.123 0.259 0.857 0.429 CA 1.336 8 residues pruned to eliminate duplicates Z: 8 2.917 1.321 0.485 0.463 0.857 0.429 CB 0.681 Z: 28 27.992 2.103 0.634 0.624 0.926 0.481 CA 1.506 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.620 1.317 0.459 0.368 0.800 0.600 CB 0.878 6 residues pruned to eliminate duplicates Z: 15 7.242 1.736 0.345 0.324 0.786 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 16 9.446 1.764 0.414 0.333 0.867 0.600 CB 1.355 16 residues pruned to eliminate duplicates Z: 17 10.965 1.678 0.656 0.374 0.875 0.500 CA 1.290 13 residues pruned to eliminate duplicates Z: 6 2.436 1.329 1.207 0.278 0.600 0.400 CB 0.796 6 residues pruned to eliminate duplicates Z: 14 11.261 2.145 0.611 0.336 0.769 0.538 CA 1.406 14 residues pruned to eliminate duplicates Z: 11 8.819 1.890 0.726 0.334 0.700 0.300 CA 1.464 11 residues pruned to eliminate duplicates Z: 9 9.662 2.010 0.655 0.361 0.875 0.500 CA 1.364 9 residues pruned to eliminate duplicates Z: 10 8.880 2.115 0.709 0.322 0.778 0.333 CA 1.281 10 residues pruned to eliminate duplicates Z: 8 9.332 2.097 0.399 0.300 1.000 0.571 CA 1.503 8 residues pruned to eliminate duplicates Z: 16 14.536 2.108 0.560 0.413 0.933 0.467 CA 1.340 16 residues pruned to eliminate duplicates Z: 10 11.210 2.133 0.653 0.286 0.889 0.333 CA 1.517 17 residues pruned to eliminate duplicates Z: 9 8.052 1.822 0.470 0.612 0.750 0.500 CB 1.275 9 residues pruned to eliminate duplicates Z: 17 13.689 1.917 0.347 0.439 1.000 0.500 CB 1.412 17 residues pruned to eliminate duplicates Z: 8 9.073 1.870 0.194 0.706 0.857 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 21 10.674 1.883 0.230 0.429 0.850 0.450 CB 1.305 21 residues pruned to eliminate duplicates Z: 19 10.369 1.845 0.277 0.385 0.944 0.278 CB 1.241 19 residues pruned to eliminate duplicates Z: 17 11.236 1.926 0.214 0.485 0.875 0.438 CB 1.394 17 residues pruned to eliminate duplicates Z: 25 10.737 1.905 0.111 0.408 0.917 0.542 CB 1.244 25 residues pruned to eliminate duplicates Z: 26 11.195 1.852 0.262 0.414 0.880 0.400 CB 1.192 21 residues pruned to eliminate duplicates Z: 6 3.412 1.501 0.431 0.304 0.800 0.400 CA 1.105 6 residues pruned to eliminate duplicates Z: 17 13.967 1.904 0.429 0.457 1.000 0.438 CB 1.342 17 residues pruned to eliminate duplicates Z: 6 6.595 1.900 0.569 0.318 0.800 0.200 CB 1.513 6 residues pruned to eliminate duplicates Z: 9 4.046 1.812 0.131 0.213 0.750 0.250 CA 1.306 9 residues pruned to eliminate duplicates Z: 10 6.040 1.793 0.215 0.231 1.000 0.444 CA 1.264 12 residues pruned to eliminate duplicates Z: 7 2.642 1.567 0.291 0.389 0.667 0.333 CB 0.900 7 residues pruned to eliminate duplicates Z: 63 25.304 1.964 0.342 0.423 0.919 0.516 CB 1.437 63 residues pruned to eliminate duplicates Z: 57 22.525 1.970 0.259 0.448 0.893 0.589 CA 1.434 57 residues pruned to eliminate duplicates Z: 56 23.632 1.967 0.271 0.434 0.927 0.564 CB 1.473 56 residues pruned to eliminate duplicates Z: 20 10.652 1.897 0.135 0.356 0.895 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 60 25.701 1.998 0.330 0.406 0.949 0.475 CA 1.464 60 residues pruned to eliminate duplicates Z: 52 22.721 2.008 0.231 0.456 0.922 0.529 CA 1.460 52 residues pruned to eliminate duplicates Z: 52 24.670 2.010 0.316 0.467 0.941 0.549 CA 1.435 52 residues pruned to eliminate duplicates Z: 22 11.174 1.867 0.176 0.404 0.905 0.429 CA 1.357 22 residues pruned to eliminate duplicates Z: 62 26.692 1.979 0.356 0.437 0.951 0.574 CB 1.429 62 residues pruned to eliminate duplicates Z: 66 23.423 1.958 0.296 0.400 0.892 0.492 CB 1.425 66 residues pruned to eliminate duplicates Z: 62 25.190 1.982 0.392 0.448 0.869 0.525 CA 1.419 62 residues pruned to eliminate duplicates Z: 20 11.043 1.772 0.327 0.378 0.842 0.368 CB 1.457 20 residues pruned to eliminate duplicates Z: 41 18.816 1.939 0.342 0.380 0.925 0.575 CA 1.404 41 residues pruned to eliminate duplicates Z: 48 20.152 1.964 0.207 0.394 0.936 0.553 CB 1.481 48 residues pruned to eliminate duplicates Z: 40 18.468 1.947 0.289 0.437 0.872 0.538 CA 1.442 40 residues pruned to eliminate duplicates Z: 59 24.681 1.982 0.321 0.425 0.914 0.534 CB 1.465 59 residues pruned to eliminate duplicates Z: 62 25.214 1.969 0.375 0.415 0.918 0.525 CB 1.418 62 residues pruned to eliminate duplicates Z: 62 22.702 1.956 0.292 0.407 0.902 0.492 CA 1.408 62 residues pruned to eliminate duplicates Z: 24 16.328 1.988 0.300 0.444 0.957 0.565 CA 1.459 24 residues pruned to eliminate duplicates Z: 29 13.138 1.919 0.272 0.397 0.786 0.500 CA 1.444 29 residues pruned to eliminate duplicates Z: 61 24.443 2.002 0.329 0.425 0.900 0.533 CA 1.424 61 residues pruned to eliminate duplicates Z: 38 20.704 1.910 0.379 0.453 0.946 0.703 CB 1.433 38 residues pruned to eliminate duplicates Z: 61 25.668 2.003 0.354 0.429 0.917 0.483 CA 1.435 61 residues pruned to eliminate duplicates Z: 61 25.242 1.966 0.296 0.454 0.917 0.567 CB 1.462 61 residues pruned to eliminate duplicates Z: 63 24.724 1.966 0.319 0.425 0.887 0.484 CA 1.476 63 residues pruned to eliminate duplicates Z: 63 26.039 1.981 0.267 0.447 0.935 0.581 CA 1.487 63 residues pruned to eliminate duplicates Z: 60 25.925 1.989 0.362 0.436 0.915 0.475 CB 1.454 60 residues pruned to eliminate duplicates Z: 30 18.505 2.030 0.331 0.484 0.862 0.517 CA 1.499 30 residues pruned to eliminate duplicates Z: 30 19.361 2.075 0.325 0.473 0.931 0.552 CA 1.444 30 residues pruned to eliminate duplicates Z: 6 4.668 1.571 0.267 0.725 0.800 0.400 CA 1.070 6 residues pruned to eliminate duplicates Z: 41 19.978 1.973 0.210 0.451 0.950 0.575 CA 1.464 41 residues pruned to eliminate duplicates Z: 62 22.762 1.975 0.201 0.420 0.951 0.508 CA 1.404 62 residues pruned to eliminate duplicates Z: 61 24.419 1.987 0.420 0.414 0.883 0.517 CA 1.383 61 residues pruned to eliminate duplicates Z: 63 26.309 2.004 0.302 0.420 0.952 0.548 CA 1.463 63 residues pruned to eliminate duplicates Z: 56 23.979 1.996 0.324 0.432 0.927 0.509 CA 1.416 56 residues pruned to eliminate duplicates Z: 23 18.346 2.047 0.292 0.459 1.000 0.636 CA 1.543 23 residues pruned to eliminate duplicates Z: 55 24.069 1.974 0.378 0.457 0.870 0.574 CB 1.447 55 residues pruned to eliminate duplicates Z: 55 25.155 2.014 0.368 0.434 0.907 0.556 CA 1.466 55 residues pruned to eliminate duplicates Z: 55 25.793 1.976 0.400 0.499 0.889 0.667 CB 1.429 55 residues pruned to eliminate duplicates Z: 44 21.631 1.999 0.361 0.463 0.860 0.558 CA 1.462 44 residues pruned to eliminate duplicates Z: 63 26.067 1.953 0.356 0.442 0.919 0.597 CA 1.443 63 residues pruned to eliminate duplicates Z: 63 25.190 1.974 0.317 0.423 0.935 0.484 CB 1.425 63 residues pruned to eliminate duplicates Z: 63 26.658 1.956 0.384 0.422 0.935 0.516 CA 1.450 63 residues pruned to eliminate duplicates Z: 62 24.375 1.990 0.314 0.403 0.918 0.574 CA 1.441 62 residues pruned to eliminate duplicates Z: 54 23.434 1.999 0.295 0.445 0.887 0.528 CA 1.484 54 residues pruned to eliminate duplicates Z: 34 17.327 1.880 0.380 0.453 0.909 0.364 CA 1.342 34 residues pruned to eliminate duplicates Z: 63 26.183 2.005 0.330 0.430 0.919 0.597 CA 1.459 63 residues pruned to eliminate duplicates Z: 31 18.066 2.007 0.272 0.472 0.900 0.533 CA 1.477 31 residues pruned to eliminate duplicates Z: 65 25.439 1.958 0.363 0.411 0.938 0.516 CA 1.395 65 residues pruned to eliminate duplicates Z: 56 25.905 1.952 0.457 0.480 0.909 0.600 CB 1.380 56 residues pruned to eliminate duplicates Z: 31 18.534 2.026 0.340 0.466 0.900 0.467 CA 1.434 31 residues pruned to eliminate duplicates Z: 31 18.905 1.998 0.378 0.492 0.900 0.533 CB 1.404 31 residues pruned to eliminate duplicates Z: 64 26.543 1.984 0.333 0.410 0.952 0.540 CA 1.459 64 residues pruned to eliminate duplicates Z: 55 26.475 1.976 0.357 0.491 0.944 0.537 CA 1.436 55 residues pruned to eliminate duplicates Z: 16 11.880 2.004 0.415 0.374 0.933 0.467 CA 1.326 19 residues pruned to eliminate duplicates Z: 7 3.195 1.433 0.569 0.285 0.833 0.500 CA 0.887 7 residues pruned to eliminate duplicates Z: 17 12.410 1.997 0.322 0.390 0.938 0.438 CA 1.408 17 residues pruned to eliminate duplicates Z: 16 10.947 1.990 0.274 0.366 0.933 0.400 CA 1.380 16 residues pruned to eliminate duplicates Z: 17 9.968 2.018 0.218 0.444 0.812 0.438 CA 1.322 17 residues pruned to eliminate duplicates Z: 15 12.946 1.999 0.371 0.373 1.000 0.500 CA 1.446 15 residues pruned to eliminate duplicates Z: 19 11.365 1.933 0.333 0.344 0.889 0.389 CA 1.385 19 residues pruned to eliminate duplicates Z: 18 11.410 1.968 0.302 0.393 0.882 0.471 CA 1.370 18 residues pruned to eliminate duplicates Z: 19 13.519 1.962 0.432 0.378 0.889 0.444 CA 1.453 18 residues pruned to eliminate duplicates Z: 6 4.160 1.910 -0.114 0.428 1.000 0.400 CA 1.185 6 residues pruned to eliminate duplicates Z: 17 12.297 2.004 0.304 0.406 0.938 0.375 CA 1.385 17 residues pruned to eliminate duplicates Z: 19 10.489 1.961 0.271 0.350 0.833 0.389 CB 1.401 19 residues pruned to eliminate duplicates Z: 21 13.149 1.983 0.376 0.391 0.850 0.350 CA 1.423 20 residues pruned to eliminate duplicates Z: 18 11.219 1.942 0.303 0.371 0.941 0.294 CA 1.311 19 residues pruned to eliminate duplicates 6 1.769 1.524 0.212 0.227 0.600 0.600 CA 0.981 ? Z: 7 4.743 1.726 0.175 0.372 0.833 0.667 CA 1.314 7 residues pruned to eliminate duplicates Z: 11 8.103 1.781 0.011 0.569 0.900 0.600 CA 1.478 11 residues pruned to eliminate duplicates Z: 8 14.514 1.857 0.637 0.649 1.000 0.714 C 1.570 11 residues pruned to eliminate duplicates Z: 6 3.798 1.856 0.302 0.489 0.800 0.200 CB 0.888 2 residues pruned to eliminate duplicates Z: 6 4.026 1.818 0.305 0.503 0.800 0.200 CB 0.946 6 residues pruned to eliminate duplicates Z: 7 4.367 1.757 0.333 0.520 0.833 0.167 CB 0.896 10 residues pruned to eliminate duplicates Z: 6 7.788 1.830 0.727 0.652 1.000 0.200 CB 0.957 8 residues pruned to eliminate duplicates Z: 7 4.481 1.652 0.536 0.562 0.833 0.333 CA 0.814 5 residues pruned to eliminate duplicates Z: 8 6.066 1.888 0.449 0.269 0.857 0.571 CA 1.272 8 residues pruned to eliminate duplicates Z: 37 15.182 1.878 0.409 0.345 0.861 0.444 CB 1.313 37 residues pruned to eliminate duplicates Z: 18 10.886 1.910 0.588 0.411 0.824 0.588 CA 1.161 18 residues pruned to eliminate duplicates Z: 23 14.330 2.000 0.306 0.406 0.909 0.591 CA 1.420 23 residues pruned to eliminate duplicates Z: 56 22.338 1.939 0.517 0.314 0.891 0.436 CB 1.413 104 residues pruned to eliminate duplicates Z: 24 13.720 1.922 0.418 0.438 0.826 0.565 CA 1.354 Z: 6 3.925 1.682 0.585 0.394 0.800 0.600 CB 0.920 6 residues pruned to eliminate duplicates Z: 34 12.488 1.871 0.321 0.313 0.788 0.455 CB 1.372 19 residues pruned to eliminate duplicates Z: 6 4.685 1.421 1.070 0.473 1.000 0.800 CA 0.732 6 residues pruned to eliminate duplicates Z: 16 14.481 2.132 0.619 0.422 0.867 0.667 CB 1.355 16 residues pruned to eliminate duplicates Z: 23 13.608 1.969 0.406 0.393 0.864 0.591 CB 1.360 23 residues pruned to eliminate duplicates Z: 19 12.871 2.047 0.327 0.397 0.944 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 13.796 1.987 0.412 0.419 0.944 0.611 CB 1.335 19 residues pruned to eliminate duplicates Z: 24 14.251 1.953 0.423 0.432 0.826 0.435 CB 1.388 24 residues pruned to eliminate duplicates Z: 23 12.715 1.902 0.431 0.374 0.909 0.636 CB 1.254 23 residues pruned to eliminate duplicates Z: 17 16.417 2.023 0.673 0.514 0.938 0.688 CB 1.276 17 residues pruned to eliminate duplicates Z: 23 16.797 1.977 0.409 0.460 1.000 0.727 CB 1.339 23 residues pruned to eliminate duplicates Z: 21 14.278 2.048 0.343 0.448 0.900 0.700 CB 1.361 21 residues pruned to eliminate duplicates Z: 26 15.812 1.929 0.389 0.420 0.960 0.680 CB 1.337 26 residues pruned to eliminate duplicates Z: 27 14.287 1.922 0.416 0.423 0.885 0.692 CB 1.261 27 residues pruned to eliminate duplicates Z: 25 15.735 1.955 0.470 0.426 0.917 0.667 CB 1.317 25 residues pruned to eliminate duplicates Z: 33 16.465 1.969 0.461 0.418 0.875 0.625 CB 1.260 33 residues pruned to eliminate duplicates Z: 30 17.338 2.034 0.547 0.396 0.828 0.655 CB 1.380 30 residues pruned to eliminate duplicates Z: 11 10.828 2.074 0.506 0.385 0.800 0.600 CB 1.548 11 residues pruned to eliminate duplicates Z: 14 9.002 1.929 0.543 0.303 0.769 0.462 CB 1.358 14 residues pruned to eliminate duplicates Z: 31 12.657 1.827 0.446 0.308 0.833 0.433 CB 1.300 31 residues pruned to eliminate duplicates Z: 12 9.619 2.045 0.388 0.327 0.818 0.455 CB 1.509 12 residues pruned to eliminate duplicates Z: 10 11.051 2.134 0.488 0.343 0.889 0.556 CB 1.548 10 residues pruned to eliminate duplicates Z: 36 32.769 2.166 0.644 0.542 0.943 0.486 CA 1.582 36 residues pruned to eliminate duplicates Z: 50 43.389 2.211 0.731 0.578 0.939 0.531 CB 1.600 50 residues pruned to eliminate duplicates Z: 45 42.354 2.198 0.755 0.607 0.955 0.614 CB 1.566 45 residues pruned to eliminate duplicates Z: 54 43.162 2.174 0.648 0.639 0.962 0.698 CB 1.509 54 residues pruned to eliminate duplicates Z: 48 40.729 2.178 0.667 0.669 0.979 0.681 CB 1.430 48 residues pruned to eliminate duplicates Z: 37 35.645 2.216 0.762 0.645 0.917 0.722 CA 1.450 37 residues pruned to eliminate duplicates Z: 49 37.040 2.176 0.576 0.662 0.917 0.625 CA 1.464 49 residues pruned to eliminate duplicates Z: 55 45.236 2.204 0.654 0.632 0.963 0.630 CB 1.549 55 residues pruned to eliminate duplicates Z: 60 39.363 2.125 0.697 0.554 0.932 0.644 CB 1.445 60 residues pruned to eliminate duplicates Z: 40 45.308 2.239 0.820 0.670 0.974 0.744 CA 1.562 40 residues pruned to eliminate duplicates Z: 55 46.204 2.159 0.770 0.639 0.963 0.611 CB 1.500 55 residues pruned to eliminate duplicates Z: 83 42.072 2.107 0.619 0.531 0.902 0.598 CB 1.464 83 residues pruned to eliminate duplicates Z: 46 44.895 2.234 0.735 0.669 0.956 0.689 CA 1.546 46 residues pruned to eliminate duplicates Z: 44 42.760 2.231 0.614 0.690 0.977 0.651 CB 1.558 44 residues pruned to eliminate duplicates Z: 63 45.282 2.194 0.630 0.607 0.919 0.597 CA 1.580 63 residues pruned to eliminate duplicates Z: 42 44.084 2.231 0.763 0.688 0.951 0.683 CA 1.550 42 residues pruned to eliminate duplicates Z: 47 40.454 2.203 0.720 0.665 0.913 0.717 CA 1.480 47 residues pruned to eliminate duplicates Z: 39 37.457 2.226 0.680 0.675 0.921 0.868 CA 1.500 39 residues pruned to eliminate duplicates Z: 50 41.723 2.185 0.680 0.583 0.918 0.653 CB 1.633 50 residues pruned to eliminate duplicates Z: 44 37.888 2.214 0.629 0.600 0.953 0.558 CA 1.527 44 residues pruned to eliminate duplicates Z: 51 39.365 2.150 0.690 0.615 0.920 0.660 CB 1.493 51 residues pruned to eliminate duplicates Z: 31 42.278 2.285 0.793 0.724 0.967 0.733 CA 1.592 31 residues pruned to eliminate duplicates Z: 45 38.893 2.156 0.796 0.588 0.909 0.500 CB 1.532 45 residues pruned to eliminate duplicates Z: 60 45.532 2.159 0.757 0.569 0.949 0.593 CB 1.540 60 residues pruned to eliminate duplicates Z: 31 42.836 2.277 0.840 0.722 0.967 0.667 CA 1.580 31 residues pruned to eliminate duplicates Z: 42 39.792 2.189 0.901 0.625 0.927 0.659 CA 1.432 42 residues pruned to eliminate duplicates Z: 50 41.049 2.205 0.669 0.599 0.918 0.673 CA 1.579 50 residues pruned to eliminate duplicates Z: 34 40.103 2.252 0.837 0.678 0.939 0.576 CA 1.525 34 residues pruned to eliminate duplicates Z: 36 35.061 2.209 0.633 0.614 0.971 0.571 CA 1.519 36 residues pruned to eliminate duplicates Z: 56 42.711 2.216 0.601 0.620 0.927 0.600 CB 1.563 56 residues pruned to eliminate duplicates Z: 32 39.945 2.249 0.698 0.690 1.000 0.645 CA 1.579 32 residues pruned to eliminate duplicates Z: 71 44.787 2.155 0.600 0.568 0.957 0.600 CB 1.519 71 residues pruned to eliminate duplicates Z: 83 48.019 2.184 0.647 0.553 0.890 0.585 CB 1.572 83 residues pruned to eliminate duplicates Z: 50 40.810 2.147 0.757 0.635 0.918 0.571 CA 1.483 50 residues pruned to eliminate duplicates Z: 44 45.808 2.250 0.739 0.699 0.977 0.535 CA 1.524 44 residues pruned to eliminate duplicates Z: 44 30.612 2.114 0.641 0.520 0.953 0.581 CB 1.384 44 residues pruned to eliminate duplicates Z: 47 45.262 2.232 0.743 0.649 0.978 0.565 CA 1.526 47 residues pruned to eliminate duplicates Z: 79 47.050 2.159 0.741 0.547 0.936 0.564 CB 1.446 79 residues pruned to eliminate duplicates Z: 43 41.343 2.204 0.708 0.671 0.952 0.500 CA 1.519 43 residues pruned to eliminate duplicates Z: 43 40.130 2.213 0.614 0.688 1.000 0.595 CA 1.460 43 residues pruned to eliminate duplicates Z: 34 23.880 2.164 0.627 0.446 0.909 0.485 CB 1.372 34 residues pruned to eliminate duplicates Z: 54 36.969 2.166 0.573 0.578 0.906 0.604 CA 1.527 54 residues pruned to eliminate duplicates Z: 14 14.214 2.102 0.555 0.669 0.846 0.538 CB 1.219 14 residues pruned to eliminate duplicates Z: 25 19.640 2.142 0.481 0.520 0.875 0.458 CB 1.416 25 residues pruned to eliminate duplicates Z: 41 32.629 2.183 0.796 0.493 0.925 0.425 CB 1.432 43 residues pruned to eliminate duplicates Z: 8 4.826 1.890 0.125 0.586 0.714 0.143 CA 1.106 8 residues pruned to eliminate duplicates Z: 38 22.270 2.112 0.547 0.443 0.865 0.459 CB 1.374 38 residues pruned to eliminate duplicates Z: 77 50.059 2.184 0.701 0.561 0.961 0.500 CB 1.517 77 residues pruned to eliminate duplicates Z: 77 42.552 2.127 0.848 0.519 0.868 0.447 CB 1.403 77 residues pruned to eliminate duplicates Z: 73 54.946 2.195 0.792 0.610 0.972 0.556 CB 1.525 73 residues pruned to eliminate duplicates Z: 38 20.172 1.918 0.703 0.401 0.865 0.405 CB 1.302 38 residues pruned to eliminate duplicates Z: 80 43.068 2.178 0.561 0.515 0.962 0.544 CB 1.460 80 residues pruned to eliminate duplicates Z: 78 44.020 2.111 0.669 0.527 0.909 0.623 CB 1.525 78 residues pruned to eliminate duplicates Z: 76 53.578 2.197 0.777 0.578 0.933 0.587 CB 1.575 76 residues pruned to eliminate duplicates Z: 79 40.323 2.105 0.701 0.528 0.897 0.449 CB 1.382 75 residues pruned to eliminate duplicates Z: 6 6.097 1.854 0.589 0.497 1.000 0.400 CB 0.928 6 residues pruned to eliminate duplicates Z: 46 24.665 2.084 0.645 0.465 0.800 0.467 CB 1.389 46 residues pruned to eliminate duplicates Z: 23 12.803 2.020 0.549 0.300 0.818 0.273 CB 1.332 23 residues pruned to eliminate duplicates Z: 24 16.589 2.021 0.675 0.409 0.870 0.522 CB 1.294 24 residues pruned to eliminate duplicates Z: 20 17.405 2.086 0.728 0.477 0.842 0.526 CB 1.347 23 residues pruned to eliminate duplicates Z: 6 5.213 1.434 1.114 0.434 1.000 0.400 CB 0.823 6 residues pruned to eliminate duplicates Z: 24 18.046 2.047 0.602 0.443 0.913 0.478 CB 1.334 24 residues pruned to eliminate duplicates Z: 31 21.917 2.069 0.762 0.421 0.833 0.567 CB 1.432 31 residues pruned to eliminate duplicates Z: 22 19.432 2.120 0.816 0.427 0.857 0.524 CB 1.386 22 residues pruned to eliminate duplicates Z: 24 21.332 2.089 0.623 0.458 0.913 0.478 CB 1.501 24 residues pruned to eliminate duplicates Z: 22 19.873 2.129 0.822 0.423 0.905 0.476 CB 1.339 22 residues pruned to eliminate duplicates Z: 29 24.986 2.170 0.816 0.406 0.893 0.500 CB 1.481 29 residues pruned to eliminate duplicates Z: 22 18.226 2.083 0.762 0.439 0.905 0.571 CB 1.275 22 residues pruned to eliminate duplicates Z: 22 21.344 2.087 0.800 0.489 0.905 0.714 CB 1.385 22 residues pruned to eliminate duplicates Z: 84 46.484 2.179 0.664 0.554 0.892 0.530 CB 1.498 84 residues pruned to eliminate duplicates Z: 9 6.128 1.645 0.712 0.286 0.750 0.500 C 1.305 9 residues pruned to eliminate duplicates Z: 22 17.636 2.111 0.730 0.417 0.810 0.381 CB 1.419 22 residues pruned to eliminate duplicates Z: 8 3.633 1.498 0.521 0.222 0.714 0.286 C 1.169 5 residues pruned to eliminate duplicates Z: 17 11.081 1.873 0.413 0.420 0.812 0.375 CB 1.401 17 residues pruned to eliminate duplicates Z: 10 9.698 1.915 0.622 0.508 0.778 0.333 CB 1.328 8 residues pruned to eliminate duplicates Z: 6 10.071 2.067 0.546 0.455 1.000 0.400 CB 1.476 6 residues pruned to eliminate duplicates Z: 34 16.777 1.776 0.508 0.382 0.879 0.515 CB 1.406 34 residues pruned to eliminate duplicates Z: 33 17.978 1.859 0.522 0.356 0.875 0.531 CA 1.501 35 residues pruned to eliminate duplicates Z: 6 3.788 1.466 0.691 0.340 0.800 0.400 N 1.017 6 residues pruned to eliminate duplicates Z: 31 15.519 1.837 0.518 0.334 0.833 0.600 CB 1.461 31 residues pruned to eliminate duplicates Z: 33 14.457 1.826 0.509 0.320 0.812 0.500 CB 1.393 33 residues pruned to eliminate duplicates Z: 32 15.761 1.853 0.570 0.345 0.806 0.419 CB 1.428 32 residues pruned to eliminate duplicates Z: 34 15.111 1.806 0.574 0.312 0.848 0.485 CB 1.343 34 residues pruned to eliminate duplicates Z: 18 15.825 1.939 0.704 0.425 0.882 0.471 CB 1.423 18 residues pruned to eliminate duplicates Z: 20 9.922 1.807 0.503 0.373 0.789 0.579 CB 1.217 20 residues pruned to eliminate duplicates Z: 34 17.082 1.825 0.562 0.386 0.848 0.455 CB 1.388 34 residues pruned to eliminate duplicates Z: 7 2.452 1.464 0.441 0.294 0.833 0.167 CA 0.718 5 residues pruned to eliminate duplicates Z: 6 3.974 1.657 0.664 0.233 1.000 0.400 CA 0.879 6 residues pruned to eliminate duplicates Z: 15 10.848 2.013 0.410 0.327 0.857 0.429 CB 1.440 15 residues pruned to eliminate duplicates Z: 8 4.389 1.388 0.466 0.385 0.857 0.571 CA 1.074 8 residues pruned to eliminate duplicates Z: 68 34.728 2.066 0.441 0.545 0.940 0.582 CA 1.449 68 residues pruned to eliminate duplicates Z: 45 33.502 2.076 0.596 0.621 0.932 0.568 CA 1.459 45 residues pruned to eliminate duplicates Z: 15 10.912 2.044 0.474 0.303 0.857 0.429 CB 1.407 16 residues pruned to eliminate duplicates Z: 17 20.140 1.944 0.554 0.847 1.000 0.625 CB 1.237 17 residues pruned to eliminate duplicates Z: 12 13.034 2.168 0.524 0.403 0.909 0.455 CB 1.448 12 residues pruned to eliminate duplicates Z: 46 31.114 2.039 0.593 0.619 0.889 0.533 CA 1.435 46 residues pruned to eliminate duplicates Z: 45 31.210 2.059 0.657 0.601 0.909 0.500 CB 1.378 45 residues pruned to eliminate duplicates Z: 45 32.062 2.051 0.668 0.610 0.909 0.545 CB 1.400 45 residues pruned to eliminate duplicates Z: 95 38.894 2.044 0.505 0.495 0.904 0.489 CA 1.449 132 residues pruned to eliminate duplicates Z: 18 31.834 2.057 0.925 0.853 1.000 0.353 CA 1.442 18 residues pruned to eliminate duplicates Z: 75 39.454 2.069 0.637 0.533 0.878 0.541 CA 1.493 75 residues pruned to eliminate duplicates Z: 43 37.805 2.112 0.736 0.647 0.905 0.548 CA 1.532 43 residues pruned to eliminate duplicates Z: 77 37.686 2.078 0.539 0.540 0.855 0.526 CB 1.520 77 residues pruned to eliminate duplicates Z: 35 31.479 2.052 0.629 0.719 0.882 0.471 CA 1.502 35 residues pruned to eliminate duplicates Z: 43 31.953 2.108 0.572 0.642 0.881 0.524 CB 1.479 43 residues pruned to eliminate duplicates Z: 74 42.287 2.113 0.473 0.560 0.959 0.616 CB 1.565 74 residues pruned to eliminate duplicates Z: 45 32.268 2.079 0.647 0.602 0.932 0.545 CB 1.383 45 residues pruned to eliminate duplicates Z: 77 39.792 2.075 0.529 0.551 0.908 0.474 CA 1.508 77 residues pruned to eliminate duplicates Z: 51 33.557 2.054 0.658 0.597 0.880 0.640 CB 1.443 51 residues pruned to eliminate duplicates Z: 27 29.209 2.119 0.736 0.658 0.923 0.500 CA 1.457 27 residues pruned to eliminate duplicates Z: 16 26.029 2.093 0.854 0.884 0.933 0.467 CA 1.341 16 residues pruned to eliminate duplicates Z: 55 35.641 2.064 0.641 0.580 0.907 0.444 CB 1.461 55 residues pruned to eliminate duplicates Z: 44 35.172 2.108 0.616 0.640 0.930 0.535 CB 1.484 44 residues pruned to eliminate duplicates Z: 35 32.501 2.110 0.751 0.577 0.941 0.500 CB 1.488 35 residues pruned to eliminate duplicates Z: 70 41.280 2.095 0.578 0.538 0.942 0.522 CA 1.537 70 residues pruned to eliminate duplicates Z: 45 30.685 2.103 0.559 0.510 0.909 0.523 CB 1.536 45 residues pruned to eliminate duplicates Z: 45 36.871 2.079 0.737 0.621 0.932 0.545 CB 1.474 45 residues pruned to eliminate duplicates Z: 50 37.648 2.081 0.656 0.601 0.939 0.551 CA 1.510 50 residues pruned to eliminate duplicates Z: 41 24.824 2.048 0.576 0.517 0.875 0.475 CA 1.367 41 residues pruned to eliminate duplicates Z: 38 30.074 2.088 0.570 0.481 0.973 0.514 CB 1.579 38 residues pruned to eliminate duplicates Z: 26 26.166 2.120 0.591 0.541 0.960 0.520 CB 1.553 26 residues pruned to eliminate duplicates Z: 15 18.556 2.096 0.726 0.632 1.000 0.714 CB 1.211 15 residues pruned to eliminate duplicates Z: 12 19.804 2.116 0.634 0.732 1.000 0.818 CA 1.402 12 residues pruned to eliminate duplicates Z: 15 20.074 2.096 0.753 0.632 1.000 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 62 36.525 2.038 0.634 0.541 0.918 0.426 CB 1.470 62 residues pruned to eliminate duplicates Z: 72 42.711 2.107 0.573 0.563 0.930 0.479 CB 1.548 72 residues pruned to eliminate duplicates Z: 23 25.081 2.066 0.638 0.558 0.955 0.455 CB 1.564 23 residues pruned to eliminate duplicates Z: 49 28.859 2.066 0.519 0.474 0.896 0.562 CA 1.521 49 residues pruned to eliminate duplicates Z: 44 28.390 2.109 0.493 0.502 0.930 0.442 CB 1.476 44 residues pruned to eliminate duplicates Z: 13 11.753 2.051 0.315 0.405 0.833 0.583 CA 1.667 13 residues pruned to eliminate duplicates Z: 37 30.501 2.082 0.684 0.503 0.944 0.389 CB 1.531 37 residues pruned to eliminate duplicates Z: 47 28.277 2.084 0.391 0.489 0.935 0.522 CA 1.557 47 residues pruned to eliminate duplicates Z: 46 26.279 2.073 0.597 0.446 0.867 0.467 CB 1.443 46 residues pruned to eliminate duplicates Z: 44 30.872 2.103 0.493 0.523 0.953 0.628 CB 1.537 46 residues pruned to eliminate duplicates 6 1.989 1.315 0.714 0.320 0.600 0.000 C 0.802 ? Z: 6 5.371 1.488 0.637 0.486 1.000 0.800 CA 1.000 6 residues pruned to eliminate duplicates Z: 23 15.798 2.054 0.499 0.429 0.818 0.545 CA 1.440 23 residues pruned to eliminate duplicates Z: 24 14.177 2.026 0.245 0.415 0.870 0.348 CA 1.473 24 residues pruned to eliminate duplicates Z: 36 18.994 2.007 0.463 0.386 0.857 0.457 CA 1.440 32 residues pruned to eliminate duplicates Z: 10 10.127 1.802 0.556 0.752 0.778 0.667 CA 1.236 10 residues pruned to eliminate duplicates Z: 33 17.783 1.965 0.435 0.371 0.906 0.500 CA 1.412 33 residues pruned to eliminate duplicates Z: 34 19.529 1.988 0.666 0.386 0.879 0.576 CA 1.318 34 residues pruned to eliminate duplicates Z: 47 26.406 2.046 0.599 0.474 0.826 0.522 CB 1.479 47 residues pruned to eliminate duplicates Z: 63 41.140 2.091 0.535 0.623 0.968 0.565 CA 1.498 63 residues pruned to eliminate duplicates Z: 32 18.842 2.065 0.399 0.399 0.871 0.419 CA 1.496 32 residues pruned to eliminate duplicates Z: 28 13.362 1.976 0.378 0.360 0.852 0.259 CA 1.289 30 residues pruned to eliminate duplicates Z: 11 11.077 1.952 0.462 0.687 0.900 0.400 CA 1.149 12 residues pruned to eliminate duplicates Z: 6 6.728 1.783 0.353 0.638 1.000 0.200 CA 1.096 6 residues pruned to eliminate duplicates Z: 26 11.345 1.835 0.293 0.407 0.920 0.440 CB 1.146 26 residues pruned to eliminate duplicates Z: 21 14.804 1.918 0.509 0.396 0.900 0.650 CA 1.418 21 residues pruned to eliminate duplicates Z: 27 20.032 1.965 0.372 0.620 0.962 0.769 CA 1.354 27 residues pruned to eliminate duplicates Z: 64 35.132 2.026 0.528 0.574 0.968 0.667 CB 1.375 64 residues pruned to eliminate duplicates Z: 66 33.747 1.976 0.537 0.519 0.938 0.631 CB 1.441 66 residues pruned to eliminate duplicates Z: 64 34.520 1.998 0.563 0.565 0.937 0.667 CB 1.396 64 residues pruned to eliminate duplicates Z: 15 18.188 2.071 0.256 0.827 0.929 0.857 CA 1.516 15 residues pruned to eliminate duplicates Z: 41 25.262 2.036 0.458 0.502 0.925 0.700 CA 1.452 41 residues pruned to eliminate duplicates Z: 39 30.225 2.106 0.563 0.592 0.895 0.684 CB 1.525 39 residues pruned to eliminate duplicates Z: 37 29.602 2.073 0.571 0.557 0.944 0.750 CB 1.517 37 residues pruned to eliminate duplicates Z: 29 21.794 2.069 0.434 0.675 0.857 0.821 CB 1.379 26 residues pruned to eliminate duplicates Z: 18 26.789 1.979 0.783 0.890 1.000 0.706 CB 1.325 18 residues pruned to eliminate duplicates Z: 46 33.188 2.076 0.768 0.547 0.933 0.556 CB 1.379 46 residues pruned to eliminate duplicates Z: 36 26.068 1.965 0.525 0.626 1.000 0.657 CB 1.306 36 residues pruned to eliminate duplicates Z: 47 34.257 2.070 0.659 0.574 0.957 0.652 CB 1.433 47 residues pruned to eliminate duplicates Z: 62 30.577 1.988 0.477 0.490 0.951 0.639 CB 1.416 62 residues pruned to eliminate duplicates Z: 64 33.760 1.988 0.675 0.525 0.905 0.651 CB 1.378 37 residues pruned to eliminate duplicates Z: 22 25.830 1.954 0.601 0.859 1.000 0.714 CB 1.325 22 residues pruned to eliminate duplicates Z: 32 26.899 2.040 0.601 0.671 0.968 0.677 CB 1.306 32 residues pruned to eliminate duplicates Z: 65 35.789 1.974 0.686 0.571 0.906 0.609 CB 1.385 65 residues pruned to eliminate duplicates Z: 65 34.036 1.984 0.618 0.559 0.938 0.656 CB 1.335 40 residues pruned to eliminate duplicates Z: 17 12.814 1.737 0.503 0.758 0.938 0.625 CA 1.041 17 residues pruned to eliminate duplicates Z: 64 31.037 1.975 0.557 0.512 0.921 0.619 CB 1.365 64 residues pruned to eliminate duplicates Z: 42 28.896 2.040 0.774 0.529 0.927 0.610 CA 1.308 42 residues pruned to eliminate duplicates Z: 65 36.238 1.973 0.782 0.616 0.938 0.625 CB 1.232 65 residues pruned to eliminate duplicates Z: 65 36.354 1.977 0.691 0.583 0.938 0.578 CB 1.340 36 residues pruned to eliminate duplicates Z: 10 15.110 1.886 0.696 0.887 1.000 0.667 CA 1.135 10 residues pruned to eliminate duplicates Z: 64 35.359 1.980 0.656 0.588 0.968 0.635 CB 1.290 64 residues pruned to eliminate duplicates Z: 57 29.352 1.975 0.597 0.456 0.911 0.536 CA 1.428 57 residues pruned to eliminate duplicates Z: 26 15.374 1.837 0.529 0.522 0.880 0.480 CB 1.217 26 residues pruned to eliminate duplicates Z: 63 36.074 1.998 0.773 0.582 0.887 0.532 CB 1.348 63 residues pruned to eliminate duplicates Z: 63 33.037 2.011 0.491 0.571 0.952 0.613 CB 1.374 63 residues pruned to eliminate duplicates Z: 66 32.047 1.984 0.520 0.553 0.892 0.585 CB 1.402 66 residues pruned to eliminate duplicates Z: 9 7.780 1.991 1.033 0.422 0.875 0.500 CB 0.842 9 residues pruned to eliminate duplicates Z: 62 33.093 2.003 0.536 0.550 0.918 0.557 CB 1.428 62 residues pruned to eliminate duplicates Z: 65 37.158 2.007 0.593 0.562 0.953 0.672 CA 1.436 65 residues pruned to eliminate duplicates Z: 65 37.213 1.995 0.684 0.606 0.938 0.625 CB 1.335 65 residues pruned to eliminate duplicates Z: 23 18.149 1.973 0.696 0.580 0.909 0.636 CA 1.177 23 residues pruned to eliminate duplicates Z: 65 34.334 1.973 0.595 0.554 0.906 0.547 CB 1.427 65 residues pruned to eliminate duplicates Z: 47 30.328 2.057 0.650 0.471 0.957 0.674 CA 1.419 47 residues pruned to eliminate duplicates Z: 63 33.827 2.025 0.521 0.583 0.935 0.645 CB 1.377 63 residues pruned to eliminate duplicates Z: 43 22.202 2.046 0.428 0.446 0.833 0.619 CA 1.488 43 residues pruned to eliminate duplicates Z: 59 33.185 2.023 0.588 0.576 0.914 0.552 CA 1.380 59 residues pruned to eliminate duplicates Z: 14 15.690 2.111 0.714 0.402 0.846 0.538 CA 1.576 Z: 32 27.164 2.135 0.585 0.511 0.903 0.710 CB 1.580 46 residues pruned to eliminate duplicates Z: 60 27.191 2.000 0.534 0.492 0.831 0.525 CA 1.401 60 residues pruned to eliminate duplicates Z: 34 24.597 2.089 0.559 0.468 0.909 0.576 CA 1.494 34 residues pruned to eliminate duplicates Z: 36 24.725 2.083 0.438 0.510 0.943 0.657 CA 1.464 36 residues pruned to eliminate duplicates Z: 12 13.756 2.198 0.836 0.385 0.818 0.636 CA 1.420 12 residues pruned to eliminate duplicates Z: 18 18.524 2.005 0.846 0.526 0.824 0.647 CA 1.437 18 residues pruned to eliminate duplicates Z: 63 35.759 2.040 0.563 0.575 0.952 0.629 CA 1.392 63 residues pruned to eliminate duplicates Z: 27 19.202 2.110 0.502 0.413 0.885 0.615 CA 1.471 27 residues pruned to eliminate duplicates Z: 38 21.760 2.081 0.485 0.460 0.838 0.622 CA 1.440 38 residues pruned to eliminate duplicates Z: 53 27.588 2.026 0.516 0.561 0.885 0.654 CA 1.327 43 residues pruned to eliminate duplicates Z: 6 7.812 1.790 0.571 0.520 1.000 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 65 34.247 1.986 0.538 0.543 0.969 0.641 CB 1.387 65 residues pruned to eliminate duplicates Z: 63 32.212 1.992 0.576 0.536 0.903 0.645 CA 1.392 56 residues pruned to eliminate duplicates Z: 6 3.772 1.564 0.616 0.306 0.800 0.800 CA 1.035 6 residues pruned to eliminate duplicates Z: 28 11.530 1.915 0.235 0.374 0.889 0.593 CB 1.208 28 residues pruned to eliminate duplicates Z: 9 5.709 1.778 0.136 0.456 0.875 0.500 CA 1.195 9 residues pruned to eliminate duplicates Z: 41 14.731 1.891 0.251 0.384 0.875 0.500 CB 1.272 41 residues pruned to eliminate duplicates Z: 11 7.289 1.847 0.190 0.457 1.000 0.400 CB 1.095 11 residues pruned to eliminate duplicates Z: 26 10.695 1.965 0.117 0.393 0.840 0.480 CB 1.299 26 residues pruned to eliminate duplicates Z: 36 15.213 1.923 0.277 0.403 0.914 0.486 CB 1.269 36 residues pruned to eliminate duplicates Z: 37 17.447 1.952 0.271 0.438 0.944 0.611 CB 1.323 38 residues pruned to eliminate duplicates Z: 6 5.984 1.918 0.283 0.483 0.800 0.600 CA 1.383 6 residues pruned to eliminate duplicates Z: 39 15.934 1.933 0.223 0.389 0.947 0.474 CA 1.298 39 residues pruned to eliminate duplicates Z: 36 16.142 1.924 0.278 0.463 0.914 0.629 CB 1.260 36 residues pruned to eliminate duplicates Z: 26 15.713 1.970 0.323 0.445 0.920 0.640 CA 1.387 26 residues pruned to eliminate duplicates Z: 19 9.930 2.012 0.076 0.456 0.889 0.611 CB 1.271 19 residues pruned to eliminate duplicates Z: 27 13.871 1.984 0.235 0.423 0.885 0.654 CB 1.360 27 residues pruned to eliminate duplicates Z: 27 14.845 1.973 0.229 0.417 0.962 0.577 CA 1.362 27 residues pruned to eliminate duplicates Z: 40 15.369 1.914 0.250 0.389 0.897 0.513 CB 1.289 40 residues pruned to eliminate duplicates Z: 28 13.894 1.930 0.353 0.434 0.889 0.556 CA 1.233 28 residues pruned to eliminate duplicates Z: 38 16.966 1.919 0.310 0.444 0.892 0.649 CB 1.317 38 residues pruned to eliminate duplicates Z: 36 16.220 1.944 0.232 0.431 0.914 0.514 CA 1.344 36 residues pruned to eliminate duplicates Z: 38 16.098 1.899 0.345 0.398 0.946 0.568 CB 1.220 38 residues pruned to eliminate duplicates Z: 38 16.470 1.927 0.316 0.422 0.919 0.541 CB 1.260 38 residues pruned to eliminate duplicates Z: 28 16.025 1.939 0.384 0.414 0.963 0.667 CA 1.307 25 residues pruned to eliminate duplicates Z: 6 7.239 1.680 1.027 0.493 1.000 0.400 CA 0.957 6 residues pruned to eliminate duplicates Z: 12 7.395 1.826 0.373 0.491 0.909 0.727 CB 0.988 12 residues pruned to eliminate duplicates Z: 12 7.075 1.814 0.280 0.502 0.909 0.727 CB 1.009 12 residues pruned to eliminate duplicates Z: 13 13.769 1.897 0.815 0.483 0.917 0.667 CA 1.281 15 residues pruned to eliminate duplicates Z: 8 5.038 1.537 0.421 0.461 0.857 0.429 CA 1.059 Z: 6 4.703 1.525 1.233 0.294 0.800 0.600 CA 0.972 Z: 14 11.458 1.869 0.732 0.404 0.923 0.615 CA 1.177 20 residues pruned to eliminate duplicates Z: 10 10.991 2.017 0.517 0.551 0.778 0.667 CA 1.466 18 residues pruned to eliminate duplicates Z: 11 13.749 2.044 0.535 0.572 0.900 0.600 CA 1.436 11 residues pruned to eliminate duplicates Z: 11 8.345 1.993 0.362 0.589 0.700 0.600 CA 1.275 11 residues pruned to eliminate duplicates Z: 24 17.684 2.065 0.573 0.456 0.783 0.609 CB 1.516 24 residues pruned to eliminate duplicates Z: 24 15.024 1.971 0.509 0.390 0.870 0.565 CA 1.362 24 residues pruned to eliminate duplicates Z: 44 23.019 2.007 0.415 0.407 0.930 0.605 CB 1.465 44 residues pruned to eliminate duplicates Z: 14 12.684 2.013 0.627 0.392 0.846 0.538 CB 1.423 14 residues pruned to eliminate duplicates Z: 54 20.494 1.957 0.392 0.375 0.849 0.528 CB 1.392 54 residues pruned to eliminate duplicates Z: 34 18.581 1.992 0.367 0.441 0.848 0.576 CB 1.487 34 residues pruned to eliminate duplicates Z: 11 17.517 2.169 0.496 0.552 1.000 0.600 CB 1.622 11 residues pruned to eliminate duplicates Z: 28 17.151 2.004 0.465 0.437 0.852 0.556 CA 1.409 28 residues pruned to eliminate duplicates Z: 11 16.019 2.121 0.503 0.555 0.900 0.600 CB 1.674 11 residues pruned to eliminate duplicates Z: 14 13.530 2.060 0.410 0.464 0.923 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 26 19.023 2.033 0.490 0.433 0.920 0.680 CA 1.462 26 residues pruned to eliminate duplicates Z: 39 20.516 2.020 0.423 0.464 0.842 0.658 CA 1.427 37 residues pruned to eliminate duplicates Z: 9 6.856 1.781 0.257 0.570 0.750 0.250 CB 1.349 9 residues pruned to eliminate duplicates Z: 23 9.120 1.907 0.377 0.244 0.864 0.364 CB 1.153 23 residues pruned to eliminate duplicates Z: 48 20.819 1.967 0.422 0.389 0.894 0.426 CB 1.366 48 residues pruned to eliminate duplicates Z: 72 25.299 1.980 0.375 0.383 0.859 0.451 CB 1.454 62 residues pruned to eliminate duplicates Z: 6 7.110 1.801 0.303 0.568 1.000 0.400 CB 1.269 6 residues pruned to eliminate duplicates Z: 26 8.974 1.885 0.370 0.210 0.880 0.280 CB 1.113 26 residues pruned to eliminate duplicates Z: 24 9.402 1.872 0.458 0.221 0.826 0.391 CB 1.206 24 residues pruned to eliminate duplicates Z: 53 19.409 1.926 0.372 0.365 0.846 0.519 CA 1.392 53 residues pruned to eliminate duplicates Z: 33 17.264 2.000 0.398 0.367 0.906 0.500 CB 1.390 33 residues pruned to eliminate duplicates Z: 55 22.036 1.943 0.481 0.357 0.889 0.426 CB 1.368 55 residues pruned to eliminate duplicates Z: 17 10.670 1.938 0.539 0.377 0.812 0.500 CB 1.256 17 residues pruned to eliminate duplicates Z: 53 17.613 1.959 0.281 0.391 0.808 0.500 CB 1.353 53 residues pruned to eliminate duplicates Z: 25 11.484 1.824 0.399 0.334 0.833 0.417 CB 1.322 25 residues pruned to eliminate duplicates Z: 15 9.058 1.901 0.313 0.368 0.857 0.500 CA 1.305 15 residues pruned to eliminate duplicates Z: 20 6.573 1.899 0.264 0.279 0.632 0.316 CA 1.277 20 residues pruned to eliminate duplicates Z: 30 11.215 1.900 0.291 0.277 0.793 0.379 CB 1.378 30 residues pruned to eliminate duplicates Z: 18 9.325 1.790 0.580 0.264 0.824 0.412 CA 1.271 18 residues pruned to eliminate duplicates Z: 14 8.573 1.799 0.416 0.453 0.769 0.385 CB 1.273 14 residues pruned to eliminate duplicates Z: 25 9.760 1.920 0.256 0.307 0.792 0.417 CB 1.293 25 residues pruned to eliminate duplicates Z: 41 16.026 1.874 0.302 0.345 0.875 0.500 CB 1.405 41 residues pruned to eliminate duplicates Z: 19 13.124 1.990 0.412 0.349 0.889 0.611 CB 1.458 19 residues pruned to eliminate duplicates Z: 68 23.760 1.955 0.449 0.376 0.851 0.493 CB 1.375 68 residues pruned to eliminate duplicates Z: 25 12.528 1.970 0.310 0.336 0.833 0.458 CB 1.423 25 residues pruned to eliminate duplicates Z: 7 4.838 1.929 0.462 0.243 0.833 0.167 CA 1.132 7 residues pruned to eliminate duplicates Z: 20 9.792 1.943 0.384 0.262 0.789 0.526 CB 1.389 20 residues pruned to eliminate duplicates Z: 8 5.434 1.878 0.524 0.242 0.714 0.286 CA 1.353 8 residues pruned to eliminate duplicates Z: 9 5.362 1.955 0.414 0.235 0.750 0.375 CA 1.244 9 residues pruned to eliminate duplicates Z: 24 9.832 1.844 0.481 0.323 0.739 0.391 CB 1.234 24 residues pruned to eliminate duplicates Z: 27 9.549 1.754 0.447 0.284 0.846 0.500 CB 1.112 27 residues pruned to eliminate duplicates Z: 13 7.570 1.939 0.424 0.354 0.750 0.500 CB 1.236 13 residues pruned to eliminate duplicates Z: 14 11.139 1.914 0.520 0.395 0.923 0.462 CA 1.285 14 residues pruned to eliminate duplicates Z: 12 6.791 1.993 0.458 0.273 0.727 0.545 CA 1.254 12 residues pruned to eliminate duplicates Z: 12 6.981 1.890 0.200 0.351 0.818 0.545 CA 1.332 12 residues pruned to eliminate duplicates Z: 28 12.468 2.073 0.344 0.353 0.741 0.519 CA 1.363 28 residues pruned to eliminate duplicates Z: 12 7.392 1.975 0.511 0.315 0.818 0.455 CB 1.120 12 residues pruned to eliminate duplicates Z: 27 16.109 2.095 0.480 0.405 0.769 0.577 CA 1.464 27 residues pruned to eliminate duplicates Z: 12 7.235 2.036 0.386 0.286 0.727 0.455 CA 1.352 12 residues pruned to eliminate duplicates Z: 26 17.909 2.100 0.541 0.418 0.880 0.440 CA 1.370 26 residues pruned to eliminate duplicates Z: 29 14.333 1.985 0.516 0.364 0.821 0.464 CB 1.268 29 residues pruned to eliminate duplicates Z: 25 14.496 2.104 0.470 0.380 0.750 0.417 CA 1.449 25 residues pruned to eliminate duplicates Z: 17 11.075 2.038 0.531 0.368 0.812 0.312 CA 1.258 17 residues pruned to eliminate duplicates Z: 28 18.074 2.009 0.651 0.387 0.852 0.481 CA 1.387 28 residues pruned to eliminate duplicates Z: 25 16.755 2.089 0.647 0.373 0.792 0.458 CA 1.438 25 residues pruned to eliminate duplicates Z: 16 15.152 2.089 0.436 0.412 0.933 0.600 CA 1.531 16 residues pruned to eliminate duplicates Z: 29 17.958 2.050 0.483 0.424 0.857 0.607 CA 1.409 29 residues pruned to eliminate duplicates Z: 16 16.242 2.074 0.631 0.437 0.867 0.533 CA 1.526 16 residues pruned to eliminate duplicates Z: 22 13.939 2.013 0.619 0.370 0.810 0.429 CB 1.325 22 residues pruned to eliminate duplicates Z: 19 16.506 2.103 0.585 0.465 0.833 0.444 CB 1.452 19 residues pruned to eliminate duplicates Z: 29 19.009 2.053 0.488 0.422 0.893 0.393 CA 1.429 29 residues pruned to eliminate duplicates Z: 18 10.444 1.966 0.409 0.381 0.824 0.471 CB 1.260 18 residues pruned to eliminate duplicates Z: 29 17.614 2.009 0.474 0.387 0.857 0.429 CB 1.479 29 residues pruned to eliminate duplicates Z: 16 12.260 1.897 0.617 0.404 0.867 0.600 CB 1.317 16 residues pruned to eliminate duplicates Z: 13 11.628 2.145 0.439 0.355 0.833 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 35 17.247 2.027 0.420 0.326 0.824 0.382 CA 1.510 35 residues pruned to eliminate duplicates Z: 21 11.852 2.020 0.446 0.328 0.750 0.450 CB 1.460 21 residues pruned to eliminate duplicates Z: 23 14.234 2.087 0.507 0.283 0.773 0.500 CB 1.595 29 residues pruned to eliminate duplicates 6 1.242 1.752 0.107 0.100 0.400 0.000 CB 1.194 ? Z: 6 4.289 1.543 0.539 0.312 0.800 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 13 7.773 1.852 0.454 0.286 0.750 0.500 N 1.413 11 residues pruned to eliminate duplicates Z: 6 2.487 1.384 0.475 0.410 1.000 0.400 C 0.599 5 residues pruned to eliminate duplicates Z: 19 16.589 2.045 0.092 0.773 0.944 0.778 CB 1.457 19 residues pruned to eliminate duplicates Z: 21 20.634 2.032 0.403 0.664 0.950 0.750 CB 1.464 21 residues pruned to eliminate duplicates Z: 17 24.840 2.152 0.438 0.821 1.000 0.625 CB 1.518 17 residues pruned to eliminate duplicates Z: 22 18.439 2.048 0.159 0.676 1.000 0.619 CB 1.443 22 residues pruned to eliminate duplicates Z: 19 19.456 2.112 0.250 0.694 0.944 0.444 CB 1.540 19 residues pruned to eliminate duplicates Z: 21 20.139 2.073 0.361 0.651 0.900 0.550 CB 1.542 21 residues pruned to eliminate duplicates Z: 19 21.184 2.080 0.523 0.669 0.889 0.611 CA 1.518 19 residues pruned to eliminate duplicates Z: 35 24.836 1.966 0.512 0.541 0.853 0.471 CB 1.614 38 residues pruned to eliminate duplicates Z: 17 20.147 2.086 0.398 0.831 0.938 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 28 19.898 1.873 0.340 0.578 0.963 0.630 CB 1.470 21 residues pruned to eliminate duplicates Z: 20 25.357 2.102 0.392 0.741 1.000 0.737 CB 1.600 27 residues pruned to eliminate duplicates Z: 15 19.364 2.108 0.321 0.858 0.929 0.643 CB 1.474 15 residues pruned to eliminate duplicates Z: 16 23.976 2.162 0.587 0.904 0.933 0.800 CB 1.377 16 residues pruned to eliminate duplicates Z: 27 22.335 2.035 0.566 0.595 0.808 0.538 CB 1.554 38 residues pruned to eliminate duplicates Z: 14 24.430 2.185 0.772 0.874 0.923 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 27 25.947 2.043 0.658 0.627 0.885 0.538 CB 1.506 26 residues pruned to eliminate duplicates Z: 29 19.605 2.004 0.536 0.558 0.821 0.500 CB 1.384 30 residues pruned to eliminate duplicates Z: 8 8.772 1.813 0.244 0.613 1.000 0.571 CA 1.320 8 residues pruned to eliminate duplicates Z: 23 20.236 2.041 0.415 0.591 0.909 0.364 CB 1.507 23 residues pruned to eliminate duplicates Z: 7 2.629 1.624 0.300 0.241 0.667 0.333 CA 1.030 7 residues pruned to eliminate duplicates Z: 8 2.977 1.655 0.362 0.401 0.571 0.286 CA 0.970 8 residues pruned to eliminate duplicates Z: 36 15.101 1.847 0.469 0.428 0.800 0.314 CB 1.267 36 residues pruned to eliminate duplicates Z: 53 31.725 2.108 0.552 0.514 0.885 0.481 CB 1.499 63 residues pruned to eliminate duplicates Z: 7 3.925 1.590 0.592 0.287 0.833 0.333 CA 0.966 7 residues pruned to eliminate duplicates Z: 28 17.751 2.037 0.599 0.353 0.889 0.444 CB 1.383 28 residues pruned to eliminate duplicates Z: 28 21.389 2.149 0.556 0.450 0.889 0.593 CB 1.458 28 residues pruned to eliminate duplicates Z: 32 23.538 2.067 0.681 0.412 0.903 0.516 CB 1.477 32 residues pruned to eliminate duplicates Z: 31 22.662 2.097 0.608 0.463 0.900 0.467 CB 1.417 31 residues pruned to eliminate duplicates Z: 27 22.762 2.186 0.564 0.465 0.923 0.654 CB 1.466 27 residues pruned to eliminate duplicates Z: 28 21.485 2.193 0.631 0.429 0.815 0.593 CB 1.527 28 residues pruned to eliminate duplicates Z: 24 20.672 2.236 0.562 0.351 0.913 0.478 CB 1.588 24 residues pruned to eliminate duplicates Z: 28 25.648 2.157 0.630 0.444 0.963 0.556 CB 1.545 28 residues pruned to eliminate duplicates Z: 30 23.084 2.099 0.704 0.401 0.897 0.483 CB 1.484 30 residues pruned to eliminate duplicates Z: 28 22.958 2.197 0.546 0.441 0.889 0.593 CB 1.555 28 residues pruned to eliminate duplicates Z: 30 21.004 2.101 0.529 0.420 0.862 0.552 CB 1.531 30 residues pruned to eliminate duplicates Z: 28 24.439 2.184 0.628 0.443 0.926 0.593 CB 1.515 28 residues pruned to eliminate duplicates Z: 20 19.064 2.140 0.518 0.485 0.895 0.579 CB 1.528 20 residues pruned to eliminate duplicates Z: 17 17.245 2.023 0.716 0.460 0.875 0.562 CA 1.478 17 residues pruned to eliminate duplicates Z: 29 20.663 2.154 0.553 0.394 0.929 0.571 CB 1.405 29 residues pruned to eliminate duplicates Z: 26 21.937 2.178 0.676 0.455 0.880 0.600 CB 1.431 26 residues pruned to eliminate duplicates Z: 27 21.879 2.179 0.636 0.420 0.846 0.577 CB 1.546 27 residues pruned to eliminate duplicates Z: 28 20.202 2.152 0.594 0.406 0.852 0.481 CB 1.468 28 residues pruned to eliminate duplicates Z: 27 25.692 2.204 0.715 0.407 0.923 0.577 CB 1.592 27 residues pruned to eliminate duplicates Z: 29 23.890 2.133 0.719 0.392 0.929 0.500 CB 1.487 29 residues pruned to eliminate duplicates Z: 28 23.717 2.135 0.733 0.385 0.926 0.519 CB 1.506 27 residues pruned to eliminate duplicates Z: 8 6.694 1.827 0.389 0.712 0.714 0.429 CA 1.152 8 residues pruned to eliminate duplicates Z: 29 29.236 2.146 0.897 0.399 0.964 0.500 CB 1.566 30 residues pruned to eliminate duplicates Z: 8 12.915 1.963 0.578 0.777 0.857 0.429 CA 1.440 8 residues pruned to eliminate duplicates Z: 6 9.758 2.094 0.117 0.761 1.000 0.800 CA 1.479 Z: 8 5.733 1.760 0.442 0.443 0.714 0.429 CB 1.269 8 residues pruned to eliminate duplicates Z: 11 8.209 1.863 0.222 0.471 0.900 0.400 CA 1.306 23 residues pruned to eliminate duplicates 656 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 7 D: 16 E: 24 F: 63 G: 18 H: 9 I: 8 J: 32 K: 103 L: 35 M: 63 N: 63 O: 37 P: 155 Q: 11 CC for partial structure against native data = 24.16 % ------------------------------------------------------------------------------ Global autotracing cycle 30 = 0.300, Contrast = 0.396, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.552, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.560, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6724 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1279 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 16.041 2.051 0.304 0.329 0.893 0.536 CB 1.533 B: 17 16.376 2.041 0.478 0.474 0.938 0.562 CB 1.486 17 residues pruned to eliminate duplicates C: 9 13.048 1.964 0.551 0.808 0.875 0.750 CA 1.323 D: 13 11.406 1.989 0.150 0.849 1.000 0.750 CB 1.067 E: 17 21.860 2.055 0.545 0.841 0.938 0.562 CB 1.369 F: 20 10.920 1.935 0.503 0.377 0.737 0.632 CA 1.333 G: 21 41.110 2.262 0.904 0.904 1.000 0.700 CB 1.521 H: 20 47.006 2.312 1.016 0.928 1.000 0.684 CB 1.620 21 residues pruned to eliminate duplicates I: 18 21.115 1.967 0.668 0.777 0.882 0.647 CA 1.386 J: 21 42.190 2.322 0.755 0.913 1.000 0.750 CB 1.638 21 residues pruned to eliminate duplicates K: 6 5.935 2.150 0.285 0.652 0.800 0.600 CA 1.042 L: 22 40.926 2.224 0.843 0.906 1.000 0.810 CB 1.550 21 residues pruned to eliminate duplicates M: 21 41.159 2.257 0.826 0.894 1.000 0.900 CB 1.602 21 residues pruned to eliminate duplicates N: 22 42.750 2.205 0.964 0.923 1.000 0.762 CB 1.514 21 residues pruned to eliminate duplicates O: 22 44.164 2.240 0.858 0.934 1.000 1.000 CB 1.615 22 residues pruned to eliminate duplicates P: 6 5.531 1.900 -0.278 0.772 1.000 1.000 CA 1.418 6 residues pruned to eliminate duplicates Q: 10 18.025 2.128 0.411 0.893 1.000 0.667 CB 1.436 R: 28 19.760 2.104 0.865 0.349 0.815 0.444 CB 1.400 9 residues pruned to eliminate duplicates S: 24 15.680 2.066 0.430 0.379 0.870 0.435 CB 1.447 T: 11 16.631 2.204 0.249 0.797 1.000 0.700 CB 1.473 U: 8 4.633 1.676 0.544 0.473 0.714 0.286 CB 0.974 V: 18 27.411 2.019 0.609 0.928 1.000 0.706 CB 1.433 17 residues pruned to eliminate duplicates W: 21 39.258 2.252 0.652 0.935 1.000 1.000 CB 1.645 22 residues pruned to eliminate duplicates X: 56 35.207 2.087 0.588 0.571 0.909 0.618 CA 1.471 13 residues pruned to eliminate duplicates Y: 22 28.022 2.042 0.414 0.904 1.000 0.857 CB 1.508 22 residues pruned to eliminate duplicates Z: 17 33.248 2.204 0.549 0.943 1.000 0.938 CA 1.688 17 residues pruned to eliminate duplicates Z: 16 15.006 2.064 0.255 0.560 1.000 0.733 CB 1.410 16 residues pruned to eliminate duplicates Z: 12 19.372 1.882 0.884 0.887 0.909 0.727 CA 1.307 11 residues pruned to eliminate duplicates Z: 6 3.624 1.744 -0.008 0.403 0.800 0.400 N 1.297 6 residues pruned to eliminate duplicates Z: 15 9.533 1.877 0.648 0.411 0.786 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 26 10.848 1.883 0.610 0.314 0.760 0.600 CB 1.157 20 residues pruned to eliminate duplicates Z: 11 14.979 2.135 0.598 0.505 0.900 0.700 CB 1.536 12 residues pruned to eliminate duplicates Z: 17 20.821 2.099 0.478 0.870 0.875 0.625 CB 1.400 16 residues pruned to eliminate duplicates Z: 21 40.217 2.262 0.935 0.914 1.000 0.500 CB 1.453 20 residues pruned to eliminate duplicates Z: 10 9.767 1.992 0.562 0.496 0.778 0.556 CA 1.351 Z: 15 10.219 2.009 0.320 0.470 0.786 0.571 CB 1.350 15 residues pruned to eliminate duplicates Z: 11 11.396 1.985 0.344 0.599 0.900 0.600 CA 1.366 10 residues pruned to eliminate duplicates Z: 21 21.916 1.998 0.548 0.891 1.000 0.850 CB 1.139 18 residues pruned to eliminate duplicates Z: 32 24.020 2.108 0.706 0.420 0.903 0.516 CB 1.443 32 residues pruned to eliminate duplicates Z: 10 28.764 2.169 0.983 0.899 1.000 0.889 CA 1.594 11 residues pruned to eliminate duplicates Z: 21 35.585 2.234 0.559 0.928 1.000 0.800 CB 1.600 21 residues pruned to eliminate duplicates Z: 66 37.654 2.042 0.611 0.573 0.923 0.508 CA 1.433 28 residues pruned to eliminate duplicates Z: 20 13.513 2.072 0.336 0.428 0.842 0.526 CA 1.434 18 residues pruned to eliminate duplicates Z: 8 13.184 1.773 0.709 0.586 1.000 0.429 C 1.515 Z: 66 35.413 1.968 0.643 0.561 0.908 0.692 CA 1.411 35 residues pruned to eliminate duplicates Z: 7 4.629 1.732 0.039 0.435 0.833 0.333 N 1.347 Z: 16 12.437 2.036 0.539 0.428 0.933 0.400 CB 1.183 16 residues pruned to eliminate duplicates Z: 7 10.916 1.948 0.590 0.831 0.833 0.667 CB 1.297 7 residues pruned to eliminate duplicates Z: 11 13.880 1.989 0.600 0.424 1.000 0.400 CA 1.493 11 residues pruned to eliminate duplicates Z: 7 3.091 1.688 -0.006 0.405 0.667 0.333 CB 1.246 Z: 32 12.887 1.864 0.300 0.323 0.903 0.516 CA 1.284 Z: 6 2.908 1.822 -0.180 0.646 0.600 0.400 CA 1.266 Z: 12 14.354 2.081 0.444 0.860 0.909 0.727 CB 1.164 12 residues pruned to eliminate duplicates Z: 16 20.013 2.033 0.531 0.886 0.933 0.733 CB 1.283 16 residues pruned to eliminate duplicates Z: 22 41.348 2.209 1.004 0.910 1.000 0.571 CB 1.446 22 residues pruned to eliminate duplicates Z: 51 50.713 2.218 0.798 0.664 0.980 0.480 CB 1.576 40 residues pruned to eliminate duplicates Z: 86 37.532 2.036 0.688 0.455 0.859 0.482 CB 1.445 109 residues pruned to eliminate duplicates Z: 27 21.746 2.138 0.591 0.388 0.923 0.500 CB 1.529 Z: 8 10.688 1.988 0.503 0.755 0.857 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 10 15.880 2.030 0.733 0.631 1.000 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 11 7.979 2.031 0.014 0.645 0.800 0.500 CB 1.337 6 residues pruned to eliminate duplicates Z: 6 8.535 1.903 0.020 0.877 1.000 1.000 CA 1.428 6 residues pruned to eliminate duplicates Z: 64 34.788 1.988 0.653 0.536 0.889 0.571 CA 1.449 64 residues pruned to eliminate duplicates Z: 21 31.986 2.171 0.614 0.868 1.000 0.700 CB 1.492 21 residues pruned to eliminate duplicates Z: 8 11.663 1.736 0.509 0.907 1.000 0.714 CB 1.197 Z: 20 14.063 2.023 0.561 0.389 0.789 0.474 CB 1.455 13 residues pruned to eliminate duplicates Z: 12 10.190 1.831 0.744 0.451 0.818 0.636 C 1.236 Z: 32 18.238 1.972 0.768 0.329 0.839 0.419 CB 1.352 32 residues pruned to eliminate duplicates Z: 18 22.473 2.036 0.338 0.917 1.000 0.941 CB 1.412 18 residues pruned to eliminate duplicates Z: 9 10.408 2.051 0.393 0.421 0.875 0.625 CA 1.598 Z: 13 9.675 1.945 0.200 0.507 0.833 0.667 CB 1.426 Z: 9 7.158 1.858 0.074 0.576 1.000 0.625 CA 1.179 6 residues pruned to eliminate duplicates Z: 7 7.081 1.868 0.393 0.447 1.000 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 21 43.033 2.290 0.814 0.902 1.000 0.800 CB 1.651 21 residues pruned to eliminate duplicates Z: 14 22.596 2.128 0.788 0.891 0.923 0.538 CA 1.283 14 residues pruned to eliminate duplicates Z: 25 13.294 1.881 0.360 0.501 0.917 0.458 CB 1.157 Z: 12 11.414 2.014 0.151 0.758 0.909 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 9 12.710 2.117 0.283 0.651 1.000 0.875 CB 1.438 9 residues pruned to eliminate duplicates Z: 10 6.965 2.018 -0.209 0.669 0.889 0.556 CA 1.400 10 residues pruned to eliminate duplicates Z: 7 2.348 1.784 -0.097 0.274 0.833 0.667 CB 0.923 Z: 15 7.519 1.872 0.614 0.273 0.643 0.357 CB 1.338 15 residues pruned to eliminate duplicates 7 0.862 1.514 0.262 0.292 0.667 0.500 CB 0.349 ? Z: 15 12.697 2.013 0.440 0.547 0.929 0.786 CB 1.205 15 residues pruned to eliminate duplicates Z: 21 21.585 1.960 0.455 0.897 0.950 0.700 CB 1.276 21 residues pruned to eliminate duplicates Z: 8 2.635 1.747 -0.098 0.248 0.714 0.429 CB 1.182 7 residues pruned to eliminate duplicates Z: 11 18.088 1.814 0.800 0.890 1.000 0.900 CB 1.261 11 residues pruned to eliminate duplicates Z: 12 7.252 1.927 0.737 0.415 0.727 0.455 CB 0.981 12 residues pruned to eliminate duplicates Z: 10 12.352 1.934 0.615 0.331 1.000 0.667 CB 1.585 10 residues pruned to eliminate duplicates Z: 12 17.950 1.904 0.454 0.875 1.000 0.636 CB 1.422 12 residues pruned to eliminate duplicates Z: 9 10.327 1.858 0.222 0.599 1.000 0.500 CB 1.463 11 residues pruned to eliminate duplicates Z: 15 9.150 1.852 0.327 0.393 0.929 0.357 CA 1.200 Z: 6 7.198 1.820 0.641 0.826 0.600 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 12 3.576 1.655 0.315 0.238 0.818 0.545 CB 0.820 12 residues pruned to eliminate duplicates Z: 34 18.082 1.975 0.481 0.382 0.848 0.545 CB 1.439 29 residues pruned to eliminate duplicates Z: 19 24.854 2.060 0.506 0.851 1.000 0.778 CA 1.398 19 residues pruned to eliminate duplicates Z: 9 10.191 1.972 0.539 0.427 0.875 0.375 CA 1.464 Z: 65 33.774 2.000 0.695 0.564 0.891 0.531 CB 1.315 65 residues pruned to eliminate duplicates 7 -0.363 1.575 0.445 0.402 0.833 0.500 CB-0.087 ? Z: 61 31.531 1.962 0.591 0.508 0.933 0.567 CA 1.385 61 residues pruned to eliminate duplicates Z: 10 12.399 2.061 0.524 0.677 1.000 0.778 CA 1.118 11 residues pruned to eliminate duplicates Z: 20 47.027 2.317 0.992 0.947 1.000 0.737 CB 1.616 20 residues pruned to eliminate duplicates Z: 8 4.539 1.693 -0.030 0.634 0.857 0.429 CB 1.075 8 residues pruned to eliminate duplicates Z: 9 7.570 1.632 0.319 0.894 0.875 0.750 CA 1.019 9 residues pruned to eliminate duplicates Z: 32 15.273 1.879 0.488 0.350 0.839 0.484 CB 1.376 9 residues pruned to eliminate duplicates Z: 9 10.864 1.862 0.627 0.492 0.875 0.500 CA 1.461 9 residues pruned to eliminate duplicates Z: 37 29.928 2.094 0.646 0.481 0.944 0.500 CA 1.562 37 residues pruned to eliminate duplicates Z: 37 15.702 1.952 0.137 0.440 0.944 0.667 CB 1.327 8 residues pruned to eliminate duplicates Z: 6 2.816 1.505 0.057 0.494 1.000 0.400 CB 0.797 Z: 16 15.179 2.011 0.528 0.860 0.933 0.733 CB 1.005 16 residues pruned to eliminate duplicates Z: 24 11.518 1.867 0.239 0.444 0.913 0.652 CB 1.204 22 residues pruned to eliminate duplicates Z: 6 3.397 1.504 0.684 0.353 0.800 0.400 CB 0.878 6 residues pruned to eliminate duplicates Z: 30 11.599 2.007 0.096 0.384 0.828 0.586 CB 1.339 30 residues pruned to eliminate duplicates Z: 11 13.854 1.692 0.552 0.820 1.000 0.700 CB 1.264 Z: 12 12.526 1.798 0.644 0.421 0.909 0.636 CB 1.526 12 residues pruned to eliminate duplicates Z: 14 10.899 1.944 0.465 0.462 1.000 0.615 CA 1.103 14 residues pruned to eliminate duplicates Z: 7 3.744 1.717 0.471 0.243 0.833 0.333 CB 0.977 Z: 7 8.234 2.049 0.064 0.768 1.000 0.833 CA 1.216 Z: 20 21.800 2.030 0.376 0.904 1.000 0.947 CB 1.275 20 residues pruned to eliminate duplicates Z: 22 15.604 2.038 0.520 0.395 0.857 0.667 CB 1.432 22 residues pruned to eliminate duplicates Z: 22 45.741 2.251 0.890 0.911 1.000 0.905 CB 1.662 22 residues pruned to eliminate duplicates Z: 8 12.163 1.945 0.405 0.862 0.857 0.571 CB 1.442 8 residues pruned to eliminate duplicates Z: 17 16.599 2.071 0.302 0.614 1.000 0.688 CB 1.381 25 residues pruned to eliminate duplicates Z: 23 19.547 2.038 0.538 0.415 0.909 0.636 CA 1.598 23 residues pruned to eliminate duplicates Z: 7 5.105 1.954 0.468 0.288 0.667 0.333 CB 1.382 7 residues pruned to eliminate duplicates Z: 32 15.743 2.001 0.338 0.393 0.839 0.484 CA 1.410 26 residues pruned to eliminate duplicates Z: 12 6.973 1.783 -0.022 0.543 0.818 0.636 CA 1.414 12 residues pruned to eliminate duplicates Z: 25 11.101 1.927 0.051 0.456 0.917 0.500 CA 1.276 11 residues pruned to eliminate duplicates Z: 17 14.980 1.956 0.430 0.451 0.938 0.438 CB 1.501 15 residues pruned to eliminate duplicates Z: 32 15.874 1.865 0.463 0.343 0.839 0.677 CB 1.477 32 residues pruned to eliminate duplicates Z: 20 34.554 2.221 0.634 0.923 1.000 0.842 CB 1.536 20 residues pruned to eliminate duplicates Z: 11 8.867 1.830 0.254 0.632 1.000 0.700 CA 1.080 10 residues pruned to eliminate duplicates Z: 20 18.499 2.064 0.519 0.830 0.895 0.737 CB 1.138 25 residues pruned to eliminate duplicates Z: 23 19.010 2.218 0.631 0.393 0.818 0.500 CB 1.533 23 residues pruned to eliminate duplicates Z: 12 17.426 2.161 0.167 0.889 1.000 1.000 CA 1.500 12 residues pruned to eliminate duplicates Z: 39 24.924 2.040 0.650 0.475 0.842 0.421 CA 1.463 39 residues pruned to eliminate duplicates Z: 13 8.661 2.014 0.492 0.444 0.750 0.583 CB 1.175 13 residues pruned to eliminate duplicates Z: 27 23.413 2.200 0.488 0.508 0.923 0.654 CB 1.508 27 residues pruned to eliminate duplicates Z: 22 21.076 1.944 0.352 0.917 0.952 0.905 CB 1.297 21 residues pruned to eliminate duplicates Z: 42 26.230 2.041 0.536 0.459 0.854 0.561 CB 1.596 42 residues pruned to eliminate duplicates Z: 21 17.868 2.052 0.440 0.491 0.950 0.650 CB 1.436 23 residues pruned to eliminate duplicates Z: 12 13.147 2.041 0.408 0.461 0.909 0.455 CB 1.580 12 residues pruned to eliminate duplicates Z: 8 7.551 1.647 0.771 0.559 0.714 0.571 N 1.293 8 residues pruned to eliminate duplicates Z: 8 12.023 1.955 0.578 0.813 0.857 0.714 CA 1.309 8 residues pruned to eliminate duplicates Z: 64 22.731 1.955 0.268 0.426 0.889 0.540 CA 1.403 46 residues pruned to eliminate duplicates Z: 39 21.590 1.959 0.498 0.564 0.842 0.553 CB 1.333 39 residues pruned to eliminate duplicates Z: 20 21.103 1.880 0.619 0.837 0.947 0.737 CB 1.256 20 residues pruned to eliminate duplicates Z: 23 15.309 2.118 0.500 0.361 0.909 0.455 CB 1.312 23 residues pruned to eliminate duplicates Z: 63 33.485 2.001 0.509 0.569 0.935 0.677 CB 1.408 25 residues pruned to eliminate duplicates Z: 27 15.343 1.958 0.354 0.435 0.923 0.577 CA 1.314 22 residues pruned to eliminate duplicates Z: 25 15.150 1.882 0.454 0.444 0.792 0.500 CB 1.513 24 residues pruned to eliminate duplicates Z: 39 23.310 2.082 0.462 0.466 0.868 0.421 CB 1.480 39 residues pruned to eliminate duplicates Z: 10 6.663 1.878 0.048 0.366 0.889 0.444 CB 1.467 3 residues pruned to eliminate duplicates Z: 9 8.097 1.887 0.393 0.340 0.875 0.625 N 1.481 9 residues pruned to eliminate duplicates Z: 17 26.507 2.025 0.779 0.905 1.000 0.875 CB 1.309 17 residues pruned to eliminate duplicates Z: 12 3.541 1.788 -0.060 0.345 0.636 0.364 CB 1.182 Z: 17 17.152 2.023 0.572 0.545 0.875 0.688 CB 1.474 17 residues pruned to eliminate duplicates Z: 20 10.882 1.899 0.507 0.366 0.737 0.579 CA 1.367 13 residues pruned to eliminate duplicates Z: 16 19.846 2.008 0.586 0.852 0.933 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 26 17.951 2.082 0.378 0.444 0.880 0.680 CB 1.506 26 residues pruned to eliminate duplicates Z: 7 6.675 1.869 0.177 0.516 0.833 0.500 N 1.463 Z: 8 8.651 1.911 0.444 0.521 0.857 0.714 CB 1.354 10 residues pruned to eliminate duplicates Z: 14 11.930 2.072 0.334 0.503 0.769 0.615 CA 1.552 14 residues pruned to eliminate duplicates Z: 39 15.541 1.940 0.259 0.430 0.895 0.474 CB 1.241 39 residues pruned to eliminate duplicates Z: 22 11.262 1.905 0.196 0.443 0.905 0.667 CA 1.264 22 residues pruned to eliminate duplicates Z: 24 21.757 2.089 0.635 0.439 0.913 0.435 CB 1.548 26 residues pruned to eliminate duplicates Z: 11 11.046 2.090 0.285 0.412 0.900 0.600 CB 1.583 14 residues pruned to eliminate duplicates Z: 10 12.336 1.886 0.563 0.833 0.889 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 8 12.400 1.853 0.234 0.841 1.000 0.714 CA 1.529 8 residues pruned to eliminate duplicates Z: 9 10.068 1.822 0.886 0.746 0.750 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 8 11.611 1.913 0.284 0.909 1.000 1.000 CA 1.269 8 residues pruned to eliminate duplicates Z: 16 14.943 2.098 0.440 0.486 0.867 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 16 5.532 1.692 0.285 0.217 0.733 0.400 CB 1.250 12 residues pruned to eliminate duplicates Z: 14 8.249 1.775 0.233 0.489 0.846 0.692 CA 1.249 14 residues pruned to eliminate duplicates Z: 21 9.801 1.870 0.185 0.366 0.850 0.400 CA 1.344 21 residues pruned to eliminate duplicates Z: 20 9.392 1.641 0.665 0.343 0.789 0.579 CB 1.185 20 residues pruned to eliminate duplicates Z: 49 20.417 1.926 0.344 0.424 0.854 0.479 CA 1.442 49 residues pruned to eliminate duplicates Z: 20 19.663 2.066 0.486 0.605 0.895 0.579 CB 1.486 18 residues pruned to eliminate duplicates Z: 13 16.491 2.172 0.301 0.871 0.917 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 8 4.224 1.631 -0.123 0.699 0.857 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 8 6.579 1.892 0.681 0.735 0.857 0.571 CA 0.738 8 residues pruned to eliminate duplicates Z: 38 16.565 1.928 0.307 0.415 0.919 0.595 CA 1.286 38 residues pruned to eliminate duplicates Z: 9 12.141 2.170 -0.039 0.834 1.000 0.750 CA 1.543 9 residues pruned to eliminate duplicates Z: 65 37.667 2.019 0.589 0.612 0.922 0.734 CA 1.430 65 residues pruned to eliminate duplicates Z: 54 35.504 2.069 0.594 0.618 0.887 0.642 CB 1.491 55 residues pruned to eliminate duplicates Z: 6 4.769 1.911 -0.001 0.501 0.800 0.400 CB 1.394 6 residues pruned to eliminate duplicates Z: 37 18.722 1.878 0.571 0.425 0.833 0.500 CB 1.371 36 residues pruned to eliminate duplicates Z: 17 18.303 2.071 0.317 0.667 1.000 0.688 CB 1.438 18 residues pruned to eliminate duplicates Z: 65 23.189 1.936 0.282 0.431 0.891 0.594 CA 1.408 62 residues pruned to eliminate duplicates Z: 29 18.869 1.997 0.305 0.477 0.929 0.714 CA 1.508 29 residues pruned to eliminate duplicates Z: 63 35.340 2.046 0.661 0.558 0.887 0.565 CA 1.407 63 residues pruned to eliminate duplicates Z: 21 48.443 2.289 1.142 0.913 1.000 0.600 CB 1.564 21 residues pruned to eliminate duplicates Z: 14 19.266 1.803 0.753 0.808 1.000 0.538 CA 1.292 14 residues pruned to eliminate duplicates Z: 6 7.030 1.968 0.316 0.613 0.800 0.600 CB 1.363 6 residues pruned to eliminate duplicates Z: 13 8.291 1.976 0.316 0.308 0.750 0.583 CA 1.519 20 residues pruned to eliminate duplicates Z: 20 27.560 2.094 0.873 0.928 1.000 0.632 CB 1.129 20 residues pruned to eliminate duplicates Z: 9 8.448 1.948 0.378 0.590 0.875 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 8 7.270 1.719 0.217 0.652 1.000 0.714 CB 1.141 8 residues pruned to eliminate duplicates Z: 76 50.517 2.192 0.745 0.568 0.947 0.560 CB 1.509 76 residues pruned to eliminate duplicates Z: 13 16.284 1.824 0.621 0.868 0.917 0.583 CA 1.268 13 residues pruned to eliminate duplicates Z: 24 15.021 1.931 0.442 0.400 0.957 0.565 CB 1.306 32 residues pruned to eliminate duplicates Z: 14 16.731 1.896 0.585 0.875 1.000 0.692 CB 1.123 14 residues pruned to eliminate duplicates Z: 8 4.230 1.705 0.255 0.211 0.857 0.571 CA 1.227 Z: 27 17.067 2.038 0.463 0.421 0.846 0.577 CA 1.440 24 residues pruned to eliminate duplicates Z: 6 5.685 1.725 0.497 0.452 0.800 0.400 CA 1.293 Z: 11 9.146 2.095 -0.019 0.528 0.900 0.500 CA 1.521 11 residues pruned to eliminate duplicates Z: 48 18.925 1.875 0.406 0.351 0.894 0.511 CB 1.377 48 residues pruned to eliminate duplicates Z: 11 8.568 1.792 0.347 0.549 0.900 0.600 CB 1.189 11 residues pruned to eliminate duplicates Z: 53 28.401 1.920 0.610 0.644 0.942 0.673 CB 1.181 53 residues pruned to eliminate duplicates Z: 32 14.622 1.953 0.170 0.451 0.968 0.581 CB 1.249 33 residues pruned to eliminate duplicates Z: 11 13.879 1.872 0.651 0.569 0.900 0.800 CA 1.476 11 residues pruned to eliminate duplicates Z: 6 3.024 1.713 0.242 0.492 0.600 0.600 CA 1.067 6 residues pruned to eliminate duplicates Z: 22 8.520 1.871 0.212 0.329 0.810 0.571 CB 1.222 22 residues pruned to eliminate duplicates Z: 9 2.627 1.596 0.091 0.329 0.750 0.500 CB 0.857 Z: 12 4.962 1.832 -0.199 0.250 0.909 0.364 CB 1.495 12 residues pruned to eliminate duplicates Z: 8 11.043 1.905 0.476 0.856 0.857 0.571 CB 1.277 8 residues pruned to eliminate duplicates Z: 9 7.497 1.866 -0.101 0.912 1.000 1.000 CA 1.119 9 residues pruned to eliminate duplicates Z: 15 7.826 2.042 0.313 0.472 0.714 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 10 5.435 1.884 0.199 0.373 0.667 0.333 CB 1.378 10 residues pruned to eliminate duplicates Z: 44 30.480 2.109 0.623 0.494 0.907 0.488 CB 1.506 44 residues pruned to eliminate duplicates Z: 16 7.532 1.690 0.293 0.355 0.867 0.467 CA 1.201 16 residues pruned to eliminate duplicates Z: 12 9.123 1.757 0.354 0.467 1.000 0.545 CB 1.197 Z: 23 14.382 2.017 0.414 0.368 0.864 0.591 CB 1.434 23 residues pruned to eliminate duplicates Z: 7 6.455 1.931 0.208 0.636 0.833 0.833 CB 1.194 Z: 8 3.183 1.710 0.077 0.199 0.714 0.714 N 1.308 Z: 23 11.279 1.757 0.370 0.428 0.909 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 9 20.144 2.151 0.489 0.891 1.000 0.875 CB 1.598 9 residues pruned to eliminate duplicates Z: 7 10.370 1.862 0.772 0.726 1.000 0.833 CB 1.047 7 residues pruned to eliminate duplicates Z: 19 19.329 1.890 0.329 0.913 1.000 0.833 CA 1.283 19 residues pruned to eliminate duplicates Z: 11 15.361 1.812 0.535 0.896 1.000 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 45 27.140 2.075 0.449 0.515 0.932 0.568 CA 1.439 45 residues pruned to eliminate duplicates Z: 13 11.945 2.051 0.366 0.496 0.833 0.667 CA 1.483 13 residues pruned to eliminate duplicates Z: 6 4.856 1.765 0.383 0.261 0.800 0.800 N 1.462 8 residues pruned to eliminate duplicates Z: 6 5.117 1.704 0.491 0.462 0.800 0.400 CB 1.171 Z: 30 17.140 1.941 0.322 0.458 0.931 0.655 CA 1.391 30 residues pruned to eliminate duplicates Z: 28 23.979 2.187 0.686 0.417 0.889 0.481 CB 1.535 28 residues pruned to eliminate duplicates Z: 7 5.750 1.740 0.405 0.292 1.000 0.500 CB 1.213 9 residues pruned to eliminate duplicates Z: 11 15.010 2.094 0.113 0.902 1.000 0.800 CA 1.452 11 residues pruned to eliminate duplicates Z: 11 12.142 2.031 0.455 0.483 0.900 0.700 CB 1.469 11 residues pruned to eliminate duplicates Z: 6 3.668 1.210 0.434 0.779 1.000 0.600 CA 0.739 Z: 26 29.990 2.259 0.824 0.589 0.920 0.640 CA 1.452 26 residues pruned to eliminate duplicates Z: 38 16.997 1.924 0.275 0.443 0.892 0.676 CB 1.355 39 residues pruned to eliminate duplicates Z: 22 21.077 2.043 0.468 0.544 1.000 0.810 CB 1.468 24 residues pruned to eliminate duplicates Z: 7 4.692 1.660 0.202 0.737 1.000 0.667 CB 0.776 7 residues pruned to eliminate duplicates 8 1.838 1.600 0.040 0.476 0.714 0.429 CB 0.599 ? Z: 6 7.595 2.011 0.266 0.720 0.800 0.600 CA 1.367 6 residues pruned to eliminate duplicates Z: 15 9.445 1.715 0.324 0.382 0.857 0.500 CA 1.469 13 residues pruned to eliminate duplicates Z: 39 43.666 2.222 0.759 0.700 0.947 0.737 CA 1.595 39 residues pruned to eliminate duplicates Z: 6 5.079 1.898 0.237 0.448 1.000 0.800 CB 1.020 6 residues pruned to eliminate duplicates Z: 6 4.721 1.650 0.086 0.461 1.000 0.600 C 1.226 Z: 39 13.860 1.901 0.282 0.370 0.895 0.632 CA 1.184 39 residues pruned to eliminate duplicates Z: 16 12.133 1.860 0.212 0.459 1.000 0.600 CA 1.449 16 residues pruned to eliminate duplicates Z: 10 11.837 1.974 0.478 0.631 1.000 0.556 CB 1.196 10 residues pruned to eliminate duplicates Z: 6 4.687 1.468 0.518 0.440 0.800 0.600 CA 1.251 Z: 24 17.210 1.961 0.404 0.554 0.957 0.652 CA 1.293 24 residues pruned to eliminate duplicates Z: 10 5.452 1.268 0.314 0.562 1.000 0.556 CA 1.026 10 residues pruned to eliminate duplicates Z: 17 9.415 1.870 0.202 0.414 0.875 0.562 CA 1.309 15 residues pruned to eliminate duplicates Z: 9 12.039 1.975 0.495 0.433 1.000 0.750 CA 1.545 9 residues pruned to eliminate duplicates Z: 8 4.602 1.579 0.454 0.397 0.714 0.429 C 1.182 Z: 12 9.726 1.915 0.449 0.428 0.909 0.636 CA 1.252 12 residues pruned to eliminate duplicates Z: 22 24.518 2.020 0.777 0.633 0.952 0.619 CB 1.382 22 residues pruned to eliminate duplicates Z: 26 17.987 2.100 0.663 0.345 0.840 0.480 CB 1.451 26 residues pruned to eliminate duplicates Z: 9 7.385 1.750 0.374 0.525 1.000 0.625 N 1.060 6 residues pruned to eliminate duplicates Z: 12 6.886 1.700 0.116 0.430 0.909 0.727 CA 1.293 12 residues pruned to eliminate duplicates Z: 15 19.397 2.134 0.403 0.821 0.929 0.643 CB 1.412 15 residues pruned to eliminate duplicates Z: 37 19.025 1.909 0.352 0.463 0.917 0.500 CA 1.393 37 residues pruned to eliminate duplicates Z: 51 37.255 2.003 0.691 0.708 1.000 0.680 CB 1.288 51 residues pruned to eliminate duplicates Z: 10 4.788 1.637 0.486 0.229 0.778 0.444 CA 1.157 41 residues pruned to eliminate duplicates Z: 7 3.439 1.730 -0.102 0.363 1.000 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 65 22.255 1.921 0.323 0.424 0.875 0.516 CA 1.353 65 residues pruned to eliminate duplicates Z: 27 17.435 2.014 0.200 0.539 0.962 0.615 CA 1.416 27 residues pruned to eliminate duplicates Z: 31 14.358 1.943 0.282 0.380 0.867 0.500 CB 1.379 31 residues pruned to eliminate duplicates Z: 14 18.301 2.078 0.529 0.530 1.000 0.769 CB 1.551 14 residues pruned to eliminate duplicates Z: 9 9.306 1.858 0.381 0.806 0.875 0.625 CB 1.123 11 residues pruned to eliminate duplicates Z: 12 16.791 1.873 0.599 0.861 1.000 0.727 CA 1.242 12 residues pruned to eliminate duplicates Z: 6 6.258 1.726 1.141 0.326 1.000 0.200 CA 0.917 6 residues pruned to eliminate duplicates Z: 7 5.812 1.608 0.360 0.536 1.000 0.500 CB 1.047 Z: 11 11.853 1.918 0.621 0.632 0.800 0.800 CA 1.331 12 residues pruned to eliminate duplicates Z: 64 21.487 1.908 0.314 0.399 0.873 0.540 CA 1.375 63 residues pruned to eliminate duplicates Z: 11 6.344 1.844 0.586 0.305 0.800 0.400 CB 1.066 11 residues pruned to eliminate duplicates Z: 39 21.761 1.978 0.338 0.440 0.947 0.605 CA 1.497 39 residues pruned to eliminate duplicates Z: 47 20.576 1.940 0.346 0.440 0.891 0.587 CB 1.387 48 residues pruned to eliminate duplicates Z: 43 20.327 1.922 0.270 0.404 0.952 0.571 CB 1.493 43 residues pruned to eliminate duplicates Z: 17 9.125 1.716 0.439 0.383 0.938 0.562 CA 1.116 17 residues pruned to eliminate duplicates Z: 28 32.908 2.162 0.744 0.689 0.926 0.630 CA 1.525 28 residues pruned to eliminate duplicates Z: 37 20.898 1.993 0.294 0.488 0.944 0.667 CB 1.448 37 residues pruned to eliminate duplicates Z: 6 2.347 1.694 -0.234 0.296 0.800 0.600 N 1.269 6 residues pruned to eliminate duplicates Z: 19 14.146 2.087 0.295 0.403 0.944 0.611 CB 1.447 19 residues pruned to eliminate duplicates Z: 38 29.505 2.091 0.650 0.502 0.892 0.486 CB 1.574 38 residues pruned to eliminate duplicates Z: 20 9.788 2.004 0.554 0.239 0.789 0.368 CB 1.236 20 residues pruned to eliminate duplicates Z: 9 5.656 1.800 0.354 0.469 0.875 0.500 CB 0.967 9 residues pruned to eliminate duplicates Z: 10 5.840 1.636 0.413 0.516 0.667 0.333 N 1.243 10 residues pruned to eliminate duplicates Z: 11 4.687 1.695 0.169 0.480 0.700 0.400 CB 1.090 11 residues pruned to eliminate duplicates Z: 15 11.724 1.747 0.493 0.452 0.857 0.643 C 1.472 15 residues pruned to eliminate duplicates Z: 14 8.477 1.706 0.497 0.359 0.846 0.462 CA 1.267 13 residues pruned to eliminate duplicates Z: 16 12.984 2.035 0.318 0.521 0.933 0.733 CA 1.312 Z: 10 16.024 1.910 0.613 0.900 1.000 0.444 CA 1.238 10 residues pruned to eliminate duplicates Z: 13 11.035 1.875 0.271 0.471 0.917 0.500 CB 1.502 13 residues pruned to eliminate duplicates Z: 50 19.707 1.923 0.220 0.402 0.939 0.612 CA 1.417 50 residues pruned to eliminate duplicates Z: 17 12.275 1.865 0.488 0.471 0.812 0.625 CA 1.402 14 residues pruned to eliminate duplicates Z: 8 19.165 2.069 0.986 0.833 1.000 0.714 CA 1.322 8 residues pruned to eliminate duplicates Z: 17 18.821 2.033 0.353 0.890 1.000 0.875 CA 1.231 17 residues pruned to eliminate duplicates Z: 33 40.871 2.184 0.665 0.723 1.000 0.594 CA 1.624 33 residues pruned to eliminate duplicates Z: 9 13.112 1.823 0.487 0.878 1.000 1.000 CA 1.242 9 residues pruned to eliminate duplicates Z: 13 10.986 1.883 0.385 0.506 0.917 0.500 CB 1.319 11 residues pruned to eliminate duplicates Z: 10 4.670 1.739 0.147 0.331 0.889 0.556 CB 1.056 10 residues pruned to eliminate duplicates Z: 16 11.516 1.928 0.317 0.401 0.933 0.533 CA 1.393 16 residues pruned to eliminate duplicates Z: 6 2.122 1.170 -0.015 0.463 1.000 0.400 CB 0.856 Z: 7 2.620 1.596 0.265 0.516 0.667 0.500 CA 0.782 Z: 6 2.518 1.469 0.192 0.292 0.800 0.800 CB 1.015 Z: 8 4.043 1.721 0.158 0.301 0.857 0.571 CB 1.116 8 residues pruned to eliminate duplicates Z: 22 9.464 1.800 0.204 0.420 0.810 0.524 CB 1.279 21 residues pruned to eliminate duplicates Z: 56 23.967 2.009 0.433 0.430 0.800 0.564 CA 1.508 62 residues pruned to eliminate duplicates Z: 9 4.990 1.581 0.551 0.337 0.750 0.375 CA 1.146 9 residues pruned to eliminate duplicates Z: 24 16.016 2.051 0.679 0.343 0.870 0.391 CB 1.322 24 residues pruned to eliminate duplicates Z: 8 2.477 1.335 0.021 0.394 0.714 0.429 N 1.075 Z: 14 5.107 1.681 0.565 0.273 0.692 0.385 CA 1.006 14 residues pruned to eliminate duplicates Z: 8 8.271 1.969 0.405 0.435 0.857 0.571 CB 1.410 8 residues pruned to eliminate duplicates Z: 10 5.885 1.405 0.970 0.363 0.778 0.556 C 1.056 Z: 48 19.455 1.933 0.299 0.445 0.872 0.574 CB 1.370 48 residues pruned to eliminate duplicates Z: 51 29.744 1.972 0.549 0.550 0.960 0.580 CB 1.367 63 residues pruned to eliminate duplicates Z: 62 33.701 2.018 0.539 0.551 0.934 0.656 CA 1.415 62 residues pruned to eliminate duplicates Z: 6 9.891 1.750 0.991 0.643 0.800 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 7 3.820 1.485 0.008 0.425 1.000 0.500 CB 1.126 Z: 23 20.679 2.178 0.455 0.549 0.909 0.409 CB 1.460 23 residues pruned to eliminate duplicates Z: 11 10.992 1.980 0.518 0.307 1.000 0.500 CB 1.433 11 residues pruned to eliminate duplicates Z: 18 21.623 1.961 0.475 0.919 1.000 0.765 CB 1.277 18 residues pruned to eliminate duplicates Z: 12 10.174 1.849 0.604 0.522 0.818 0.636 CB 1.237 12 residues pruned to eliminate duplicates Z: 8 5.920 1.767 0.422 0.276 1.000 0.429 CB 1.147 8 residues pruned to eliminate duplicates Z: 31 12.015 1.833 0.259 0.328 0.933 0.500 CB 1.230 31 residues pruned to eliminate duplicates Z: 7 4.646 1.597 0.660 0.547 1.000 0.333 CB 0.683 Z: 12 15.661 2.123 0.834 0.452 0.909 0.636 CA 1.401 12 residues pruned to eliminate duplicates Z: 25 9.585 1.895 0.103 0.311 0.875 0.542 CA 1.320 25 residues pruned to eliminate duplicates Z: 14 19.366 2.001 0.730 0.870 0.923 0.846 CA 1.227 14 residues pruned to eliminate duplicates Z: 12 7.729 1.877 0.259 0.430 0.909 0.636 CB 1.166 12 residues pruned to eliminate duplicates 7 1.728 1.520 0.017 0.440 0.833 0.667 CB 0.582 ? Z: 7 2.635 1.505 0.612 0.499 0.667 0.500 CA 0.666 Z: 48 30.158 2.030 0.631 0.493 0.915 0.489 CA 1.463 43 residues pruned to eliminate duplicates Z: 13 11.772 1.868 0.352 0.412 1.000 0.500 CB 1.475 13 residues pruned to eliminate duplicates Z: 7 4.550 1.640 0.098 0.524 1.000 0.667 CA 1.007 Z: 62 30.829 1.983 0.531 0.518 0.918 0.656 CA 1.392 62 residues pruned to eliminate duplicates Z: 15 23.605 2.211 0.590 0.881 0.929 0.714 CB 1.399 15 residues pruned to eliminate duplicates Z: 16 11.628 1.803 0.470 0.391 0.867 0.600 CB 1.468 17 residues pruned to eliminate duplicates Z: 11 6.704 1.744 0.394 0.343 0.700 0.500 CB 1.477 11 residues pruned to eliminate duplicates Z: 11 6.250 1.649 0.287 0.424 0.800 0.500 CA 1.260 11 residues pruned to eliminate duplicates Z: 17 7.360 1.721 0.410 0.289 0.750 0.500 CB 1.281 17 residues pruned to eliminate duplicates Z: 8 4.948 1.515 0.629 0.475 0.857 0.429 N 0.906 8 residues pruned to eliminate duplicates Z: 13 12.353 1.991 0.370 0.628 0.917 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 10 5.399 1.512 0.418 0.240 1.000 0.333 N 1.134 Z: 8 5.672 1.624 0.061 0.818 0.857 0.714 CB 1.102 8 residues pruned to eliminate duplicates Z: 17 22.430 2.088 0.738 0.894 1.000 0.562 CB 1.108 17 residues pruned to eliminate duplicates Z: 22 12.358 1.909 0.436 0.430 0.810 0.571 CA 1.307 22 residues pruned to eliminate duplicates Z: 7 2.790 1.543 -0.107 0.626 0.667 0.667 N 1.101 Z: 9 4.281 1.590 0.196 0.468 0.875 0.375 CB 0.940 Z: 17 10.688 1.981 0.328 0.390 0.875 0.438 CA 1.304 17 residues pruned to eliminate duplicates Z: 20 24.336 2.049 0.635 0.897 0.947 0.789 CB 1.259 20 residues pruned to eliminate duplicates Z: 17 11.185 2.093 0.344 0.376 0.812 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 8 3.649 1.629 0.258 0.359 0.857 0.571 CB 0.915 Z: 7 9.476 1.728 0.305 0.777 1.000 0.833 N 1.343 Z: 10 8.412 1.637 0.136 0.804 1.000 0.778 CB 1.156 10 residues pruned to eliminate duplicates Z: 7 3.280 1.558 0.149 0.586 0.833 0.500 CB 0.826 Z: 8 2.248 1.641 0.130 0.205 0.571 0.286 N 1.138 Z: 13 10.843 1.990 0.536 0.506 0.833 0.667 CB 1.222 13 residues pruned to eliminate duplicates Z: 21 19.788 1.885 0.610 0.673 0.900 0.600 CB 1.381 21 residues pruned to eliminate duplicates Z: 10 9.361 1.622 1.024 0.452 0.889 0.667 N 1.123 10 residues pruned to eliminate duplicates Z: 20 14.724 1.872 0.735 0.393 0.895 0.526 CB 1.301 21 residues pruned to eliminate duplicates Z: 6 4.554 1.864 0.153 0.329 0.800 0.600 CB 1.428 6 residues pruned to eliminate duplicates Z: 32 25.416 2.186 0.454 0.556 0.935 0.613 CB 1.453 32 residues pruned to eliminate duplicates Z: 17 16.108 2.057 0.209 0.863 0.938 0.875 CB 1.267 17 residues pruned to eliminate duplicates Z: 30 18.785 1.923 0.547 0.413 0.931 0.621 CB 1.380 30 residues pruned to eliminate duplicates Z: 43 28.432 2.071 0.609 0.447 0.952 0.571 CB 1.460 43 residues pruned to eliminate duplicates Z: 10 4.756 1.586 0.645 0.372 0.778 0.556 CB 0.895 10 residues pruned to eliminate duplicates Z: 53 29.367 2.010 0.689 0.437 0.865 0.442 CA 1.478 53 residues pruned to eliminate duplicates Z: 8 10.742 1.896 0.356 0.846 0.857 0.571 CB 1.369 8 residues pruned to eliminate duplicates Z: 8 4.308 1.762 0.145 0.401 0.857 0.286 CB 1.045 14 residues pruned to eliminate duplicates Z: 10 9.905 1.916 0.472 0.594 0.889 0.667 CA 1.204 10 residues pruned to eliminate duplicates Z: 6 4.545 1.694 0.449 0.477 0.800 0.400 CB 1.060 Z: 9 6.194 1.672 0.400 0.432 0.875 0.500 CB 1.147 8 residues pruned to eliminate duplicates Z: 27 22.744 2.205 0.655 0.406 0.846 0.462 CA 1.596 27 residues pruned to eliminate duplicates Z: 6 5.513 1.593 0.542 0.516 0.800 0.400 N 1.236 Z: 12 12.128 1.971 0.387 0.584 0.909 0.545 CA 1.358 12 residues pruned to eliminate duplicates Z: 6 3.497 1.786 0.386 0.401 0.800 0.600 CB 0.877 7 residues pruned to eliminate duplicates Z: 63 35.876 1.993 0.714 0.578 0.919 0.597 CB 1.346 26 residues pruned to eliminate duplicates Z: 19 11.425 1.723 0.524 0.508 0.889 0.611 CB 1.145 19 residues pruned to eliminate duplicates Z: 6 5.309 1.681 0.399 0.406 1.000 0.400 CB 1.114 6 residues pruned to eliminate duplicates Z: 7 5.361 1.778 0.009 0.666 0.833 0.500 CB 1.256 7 residues pruned to eliminate duplicates Z: 6 8.589 2.066 0.006 0.686 1.000 1.000 CA 1.558 7 residues pruned to eliminate duplicates Z: 6 4.324 1.747 0.610 0.421 0.800 0.400 CB 0.933 7 residues pruned to eliminate duplicates Z: 6 4.533 1.655 0.688 0.297 0.800 0.600 CB 1.138 Z: 6 4.189 1.629 0.380 0.660 0.800 0.600 CB 0.898 Z: 37 42.290 2.170 0.735 0.754 0.972 0.806 CB 1.536 37 residues pruned to eliminate duplicates Z: 13 12.431 1.968 0.302 0.547 1.000 0.417 CB 1.338 13 residues pruned to eliminate duplicates 7 1.939 1.500 -0.001 0.220 0.833 0.500 CB 0.881 ? Z: 27 14.610 1.977 0.488 0.380 0.846 0.615 CA 1.308 27 residues pruned to eliminate duplicates Z: 16 27.778 2.070 0.846 0.932 1.000 0.600 CB 1.310 16 residues pruned to eliminate duplicates Z: 28 26.690 2.035 0.441 0.748 1.000 0.815 CB 1.404 28 residues pruned to eliminate duplicates Z: 31 15.108 1.976 0.408 0.334 0.833 0.467 CB 1.427 31 residues pruned to eliminate duplicates Z: 21 42.555 2.247 1.077 0.938 0.950 0.650 CB 1.493 21 residues pruned to eliminate duplicates Z: 12 8.050 1.903 0.680 0.254 0.727 0.545 CB 1.385 12 residues pruned to eliminate duplicates Z: 27 19.056 2.018 0.507 0.476 0.885 0.462 CB 1.424 27 residues pruned to eliminate duplicates Z: 6 5.800 1.581 0.810 0.403 0.800 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 34 17.669 1.945 0.465 0.430 0.879 0.485 CA 1.321 34 residues pruned to eliminate duplicates Z: 20 8.489 1.733 0.298 0.436 0.895 0.579 CA 1.034 20 residues pruned to eliminate duplicates Z: 7 4.155 1.696 0.278 0.475 0.667 0.500 CB 1.204 5 residues pruned to eliminate duplicates Z: 13 7.114 1.801 0.268 0.567 0.750 0.583 CB 1.123 13 residues pruned to eliminate duplicates Z: 13 10.152 2.020 0.618 0.372 0.833 0.667 CA 1.234 13 residues pruned to eliminate duplicates Z: 6 4.559 1.961 -0.010 0.677 1.000 0.800 CB 0.893 6 residues pruned to eliminate duplicates Z: 23 14.257 2.022 0.494 0.412 0.818 0.636 CA 1.348 23 residues pruned to eliminate duplicates Z: 24 11.154 1.967 0.468 0.401 0.783 0.391 CB 1.142 24 residues pruned to eliminate duplicates Z: 64 33.819 1.996 0.471 0.578 0.968 0.667 CA 1.390 64 residues pruned to eliminate duplicates Z: 21 27.397 1.996 0.835 0.940 1.000 0.650 CB 1.162 21 residues pruned to eliminate duplicates Z: 7 2.476 1.269 1.432 0.604 0.833 0.667 CB 0.356 Z: 8 3.765 1.733 -0.127 0.374 0.714 0.571 CB 1.506 8 residues pruned to eliminate duplicates Z: 8 5.068 1.719 0.547 0.209 0.714 0.714 N 1.423 Z: 11 12.929 1.958 0.361 0.832 1.000 0.900 CB 1.152 11 residues pruned to eliminate duplicates Z: 11 5.407 1.780 0.316 0.407 0.800 0.400 CB 1.006 11 residues pruned to eliminate duplicates Z: 15 14.221 2.108 0.681 0.376 0.857 0.571 CA 1.429 18 residues pruned to eliminate duplicates Z: 13 9.867 1.923 0.586 0.461 0.750 0.667 CB 1.295 13 residues pruned to eliminate duplicates Z: 12 6.213 1.654 0.295 0.526 0.818 0.273 CB 1.042 12 residues pruned to eliminate duplicates Z: 16 11.088 1.741 0.469 0.444 0.867 0.600 CA 1.368 16 residues pruned to eliminate duplicates Z: 7 9.342 2.117 0.315 0.442 1.000 0.333 CA 1.454 7 residues pruned to eliminate duplicates Z: 10 4.438 1.597 0.496 0.362 0.667 0.556 CA 1.078 Z: 31 20.152 1.987 0.520 0.463 0.933 0.600 CB 1.355 31 residues pruned to eliminate duplicates Z: 20 14.768 1.923 0.537 0.459 0.947 0.632 CB 1.262 19 residues pruned to eliminate duplicates Z: 11 8.118 1.997 0.226 0.486 1.000 0.700 CA 1.064 11 residues pruned to eliminate duplicates Z: 20 6.201 1.644 0.164 0.175 0.842 0.474 CA 1.308 20 residues pruned to eliminate duplicates Z: 8 5.009 1.586 0.421 0.317 0.857 0.714 N 1.200 7 residues pruned to eliminate duplicates Z: 29 21.565 2.156 0.603 0.409 0.857 0.536 CB 1.514 29 residues pruned to eliminate duplicates Z: 8 5.260 1.385 0.424 0.709 1.000 0.571 CA 0.834 8 residues pruned to eliminate duplicates Z: 11 8.018 1.835 0.278 0.415 0.900 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 19 8.731 1.819 0.250 0.330 0.833 0.500 CB 1.308 20 residues pruned to eliminate duplicates Z: 9 9.037 1.687 0.664 0.740 0.750 0.500 CA 1.224 9 residues pruned to eliminate duplicates Z: 21 16.267 1.991 0.508 0.544 0.850 0.800 CB 1.365 21 residues pruned to eliminate duplicates Z: 29 14.383 2.025 0.156 0.444 0.929 0.500 CB 1.325 29 residues pruned to eliminate duplicates Z: 34 14.394 1.915 0.376 0.368 0.818 0.333 CA 1.339 56 residues pruned to eliminate duplicates Z: 24 12.704 1.956 0.283 0.389 0.870 0.565 CB 1.366 24 residues pruned to eliminate duplicates Z: 8 3.075 1.385 0.514 0.294 0.857 0.571 CA 0.815 Z: 24 11.220 1.862 0.262 0.416 0.870 0.478 CB 1.249 24 residues pruned to eliminate duplicates Z: 10 6.804 1.627 0.495 0.440 0.778 0.222 CA 1.275 Z: 8 4.428 1.501 0.504 0.394 0.714 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 70 46.148 2.109 0.795 0.558 0.942 0.536 CB 1.473 69 residues pruned to eliminate duplicates Z: 9 7.133 1.814 0.130 0.419 0.875 0.750 CA 1.530 9 residues pruned to eliminate duplicates Z: 15 5.230 1.722 0.275 0.289 0.714 0.429 CB 1.129 10 residues pruned to eliminate duplicates Z: 20 9.285 1.673 0.490 0.316 0.789 0.684 CB 1.327 20 residues pruned to eliminate duplicates Z: 23 20.992 2.072 0.366 0.628 0.955 0.818 CB 1.469 23 residues pruned to eliminate duplicates Z: 41 29.867 2.035 0.697 0.496 0.950 0.625 CA 1.446 41 residues pruned to eliminate duplicates Z: 7 2.160 1.670 -0.061 0.369 0.667 0.333 CB 0.970 7 residues pruned to eliminate duplicates Z: 22 23.604 1.949 0.700 0.933 0.952 0.762 CB 1.139 22 residues pruned to eliminate duplicates Z: 20 11.881 1.866 0.322 0.440 0.895 0.684 CA 1.314 20 residues pruned to eliminate duplicates Z: 10 4.692 1.842 0.346 0.400 0.778 0.444 CB 0.901 10 residues pruned to eliminate duplicates Z: 14 11.039 2.106 0.236 0.420 0.769 0.615 CB 1.661 14 residues pruned to eliminate duplicates Z: 6 3.213 1.362 0.714 0.470 0.800 0.400 CB 0.793 Z: 8 4.626 1.648 0.386 0.445 0.714 0.286 CA 1.133 8 residues pruned to eliminate duplicates Z: 13 11.339 1.774 0.525 0.741 0.833 0.583 CA 1.170 13 residues pruned to eliminate duplicates Z: 7 6.629 1.801 0.364 0.541 0.833 0.667 CB 1.271 7 residues pruned to eliminate duplicates Z: 6 2.107 1.447 0.153 0.289 0.600 0.400 N 1.192 Z: 8 5.137 2.105 0.340 0.159 0.714 0.429 CA 1.463 8 residues pruned to eliminate duplicates Z: 18 10.131 1.831 0.327 0.388 0.824 0.471 CA 1.383 18 residues pruned to eliminate duplicates Z: 6 3.091 1.884 -0.468 0.471 1.000 0.600 CA 1.422 6 residues pruned to eliminate duplicates Z: 12 9.513 1.726 0.873 0.523 1.000 0.545 CB 0.867 12 residues pruned to eliminate duplicates Z: 8 6.813 1.742 0.463 0.420 0.857 0.429 CA 1.282 8 residues pruned to eliminate duplicates Z: 25 21.957 1.994 0.457 0.628 1.000 0.792 CB 1.368 25 residues pruned to eliminate duplicates Z: 12 17.294 1.973 0.712 0.844 1.000 0.545 CA 1.148 12 residues pruned to eliminate duplicates Z: 36 16.541 1.859 0.483 0.359 0.800 0.400 CB 1.476 35 residues pruned to eliminate duplicates Z: 18 23.141 1.975 0.684 0.752 0.941 0.588 CA 1.432 18 residues pruned to eliminate duplicates Z: 14 13.245 2.013 0.322 0.548 0.923 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 8 3.734 1.490 -0.050 0.428 0.857 0.571 C 1.253 Z: 11 6.542 1.480 0.572 0.325 0.900 0.700 O 1.198 12 residues pruned to eliminate duplicates Z: 39 11.402 1.808 0.265 0.358 0.737 0.474 CB 1.279 31 residues pruned to eliminate duplicates Z: 7 4.611 1.642 0.743 0.468 0.833 0.833 CA 0.815 Z: 12 9.473 1.930 0.361 0.347 0.818 0.455 CB 1.570 12 residues pruned to eliminate duplicates Z: 22 21.971 2.091 0.459 0.598 0.952 0.476 CB 1.503 22 residues pruned to eliminate duplicates Z: 11 9.024 1.872 0.685 0.420 0.800 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 65 37.738 2.027 0.614 0.560 0.953 0.656 CA 1.427 65 residues pruned to eliminate duplicates Z: 27 20.664 1.932 0.542 0.488 0.962 0.615 CA 1.432 27 residues pruned to eliminate duplicates Z: 20 22.053 2.117 0.795 0.555 0.947 0.632 CA 1.333 20 residues pruned to eliminate duplicates Z: 45 18.659 1.943 0.244 0.432 0.886 0.568 CA 1.408 45 residues pruned to eliminate duplicates Z: 6 2.982 1.663 0.158 0.348 0.800 0.400 CB 1.021 6 residues pruned to eliminate duplicates Z: 24 16.669 2.026 0.380 0.423 0.913 0.652 CA 1.475 24 residues pruned to eliminate duplicates Z: 6 3.620 1.355 0.289 0.661 1.000 0.600 CB 0.798 Z: 6 4.158 1.756 0.124 0.851 1.000 1.000 CA 0.698 6 residues pruned to eliminate duplicates Z: 6 8.097 1.543 0.812 0.714 1.000 0.400 CB 1.067 6 residues pruned to eliminate duplicates Z: 6 3.005 1.733 -0.016 0.300 0.800 0.800 C 1.232 Z: 64 39.292 2.034 0.603 0.614 0.968 0.635 CB 1.408 64 residues pruned to eliminate duplicates Z: 8 10.451 1.829 0.776 0.778 1.000 0.857 CB 0.952 8 residues pruned to eliminate duplicates Z: 6 3.012 1.181 0.349 0.643 1.000 0.400 O 0.740 6 residues pruned to eliminate duplicates Z: 6 5.381 1.866 0.372 0.563 0.800 0.800 CB 1.105 Z: 10 4.520 1.504 0.212 0.391 1.000 0.444 CB 0.928 7 1.396 1.565 -0.019 0.391 0.667 0.667 CA 0.625 ? Z: 17 9.118 1.771 0.356 0.327 0.938 0.500 CB 1.225 18 residues pruned to eliminate duplicates Z: 9 3.363 1.350 0.263 0.262 0.875 0.500 C 1.046 9 residues pruned to eliminate duplicates Z: 11 14.348 1.825 0.525 0.854 1.000 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 6 2.616 1.573 0.561 0.398 0.600 0.400 CB 0.884 6 residues pruned to eliminate duplicates Z: 33 29.725 2.042 0.740 0.640 0.906 0.688 CB 1.431 33 residues pruned to eliminate duplicates Z: 12 13.998 1.865 0.437 0.862 1.000 0.818 CA 1.156 12 residues pruned to eliminate duplicates Z: 6 4.929 1.767 0.188 0.525 0.800 0.800 N 1.281 Z: 25 17.767 1.843 0.619 0.436 0.917 0.542 CB 1.417 25 residues pruned to eliminate duplicates Z: 48 26.621 2.125 0.509 0.441 0.872 0.553 CB 1.475 48 residues pruned to eliminate duplicates Z: 28 16.281 2.025 0.239 0.548 0.889 0.704 CA 1.341 28 residues pruned to eliminate duplicates Z: 8 3.274 1.454 0.196 0.326 1.000 0.429 CA 0.861 Z: 21 15.130 1.872 0.329 0.702 0.850 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 7 2.290 1.505 0.033 0.263 0.667 0.500 CB 1.181 Z: 18 16.057 2.066 0.489 0.585 0.882 0.706 CB 1.323 18 residues pruned to eliminate duplicates Z: 7 2.047 1.470 0.055 0.193 0.667 0.667 CA 1.167 Z: 7 2.234 1.128 0.943 0.380 0.667 0.500 N 0.709 Z: 13 9.985 1.764 0.225 0.512 1.000 0.333 CB 1.318 8 residues pruned to eliminate duplicates Z: 6 4.143 1.441 0.096 0.538 1.000 0.600 CB 1.130 Z: 7 2.972 1.650 0.300 0.245 0.667 0.333 CB 1.139 Z: 10 4.289 1.378 0.439 0.382 0.778 0.444 O 1.051 8 residues pruned to eliminate duplicates Z: 15 14.417 1.882 0.442 0.545 1.000 0.714 CA 1.359 15 residues pruned to eliminate duplicates Z: 19 11.122 1.931 0.086 0.435 0.944 0.667 CA 1.416 19 residues pruned to eliminate duplicates 7 0.984 1.260 0.188 0.290 0.833 0.500 C 0.408 ? Z: 11 9.004 1.657 0.305 0.578 0.900 0.600 N 1.358 7 residues pruned to eliminate duplicates Z: 10 4.144 1.483 0.833 0.309 0.889 0.444 CB 0.706 Z: 20 23.432 1.826 0.792 0.848 0.947 0.421 CB 1.286 20 residues pruned to eliminate duplicates Z: 7 6.806 1.638 0.480 0.506 0.833 0.333 CB 1.367 13 residues pruned to eliminate duplicates Z: 11 8.717 1.799 0.595 0.374 0.800 0.500 CB 1.375 Z: 9 6.319 1.846 0.107 0.563 0.875 0.625 CB 1.176 9 residues pruned to eliminate duplicates Z: 21 18.072 1.965 0.456 0.549 0.950 0.700 CB 1.417 21 residues pruned to eliminate duplicates Z: 62 26.025 1.937 0.392 0.448 0.951 0.590 CA 1.372 70 residues pruned to eliminate duplicates Z: 60 30.576 2.005 0.589 0.520 0.831 0.424 CA 1.475 60 residues pruned to eliminate duplicates Z: 30 17.466 1.953 0.310 0.520 0.897 0.552 CA 1.386 27 residues pruned to eliminate duplicates Z: 35 22.311 1.836 0.657 0.425 0.912 0.588 CB 1.492 36 residues pruned to eliminate duplicates Z: 11 8.121 1.771 0.221 0.841 0.900 0.700 CA 0.984 11 residues pruned to eliminate duplicates Z: 7 4.705 1.677 0.223 0.536 1.000 0.667 CB 0.904 7 residues pruned to eliminate duplicates Z: 8 2.828 1.494 0.191 0.154 0.857 0.286 CB 1.073 Z: 26 13.495 1.849 0.364 0.370 0.920 0.600 CA 1.338 26 residues pruned to eliminate duplicates Z: 6 2.671 1.495 -0.072 0.350 1.000 0.200 CB 1.013 Z: 7 6.176 1.675 0.529 0.754 0.833 0.667 CB 0.942 5 residues pruned to eliminate duplicates Z: 12 4.658 1.744 0.301 0.313 0.636 0.545 CA 1.196 12 residues pruned to eliminate duplicates Z: 12 8.063 1.661 0.458 0.416 0.909 0.636 CB 1.205 8 residues pruned to eliminate duplicates Z: 41 21.164 1.921 0.316 0.488 0.950 0.675 CA 1.410 41 residues pruned to eliminate duplicates Z: 64 39.332 2.031 0.726 0.566 0.968 0.635 CB 1.369 64 residues pruned to eliminate duplicates Z: 7 4.630 1.593 0.189 0.410 0.833 0.500 O 1.317 7 residues pruned to eliminate duplicates 6 1.851 1.360 0.042 0.428 0.800 0.400 C 0.787 ? Z: 26 11.258 1.855 0.194 0.398 0.920 0.520 CB 1.230 31 residues pruned to eliminate duplicates Z: 11 10.834 2.101 0.290 0.460 0.900 0.500 CB 1.464 11 residues pruned to eliminate duplicates 6 1.666 1.253 0.337 0.405 0.800 0.400 CB 0.614 ? Z: 6 5.596 1.527 0.510 0.570 1.000 0.800 N 1.014 Z: 9 5.375 1.527 0.308 0.662 0.875 0.625 CB 0.936 9 residues pruned to eliminate duplicates Z: 9 2.086 1.399 0.271 0.295 0.750 0.500 CB 0.696 Z: 8 4.958 1.991 0.433 0.257 0.714 0.429 CB 1.215 8 residues pruned to eliminate duplicates Z: 9 8.524 1.764 0.358 0.865 0.875 0.750 CB 1.053 9 residues pruned to eliminate duplicates Z: 12 7.193 2.002 0.173 0.371 0.909 0.636 CA 1.166 12 residues pruned to eliminate duplicates Z: 7 3.687 1.568 0.647 0.246 0.667 0.333 N 1.172 7 residues pruned to eliminate duplicates Z: 27 12.593 1.824 0.217 0.449 0.885 0.423 CB 1.326 27 residues pruned to eliminate duplicates Z: 22 13.619 1.892 0.283 0.519 0.905 0.524 CA 1.327 22 residues pruned to eliminate duplicates Z: 6 6.471 1.579 1.024 0.483 0.800 0.600 CA 1.151 Z: 8 8.773 1.701 0.530 0.734 0.857 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 8 7.637 1.679 0.514 0.580 1.000 0.714 CA 1.052 6 residues pruned to eliminate duplicates Z: 11 8.051 1.735 0.518 0.473 0.900 0.600 C 1.104 11 residues pruned to eliminate duplicates 6 1.635 1.128 0.839 0.294 0.600 0.600 CB 0.740 ? Z: 23 13.873 2.048 0.136 0.473 0.864 0.591 CA 1.513 23 residues pruned to eliminate duplicates Z: 7 2.280 1.242 0.159 0.461 0.667 0.333 CB 1.009 Z: 8 2.250 1.499 0.335 0.231 0.571 0.429 CA 1.018 Z: 22 12.813 1.927 0.287 0.453 0.810 0.667 CA 1.461 22 residues pruned to eliminate duplicates Z: 11 4.307 1.704 0.025 0.293 0.800 0.300 CA 1.229 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.766 1.750 0.685 0.237 0.833 0.833 CB 1.299 8 residues pruned to eliminate duplicates Z: 6 7.630 1.686 1.034 0.337 1.000 0.400 CB 1.189 6 residues pruned to eliminate duplicates Z: 11 14.411 2.019 0.494 0.405 1.000 0.700 CB 1.669 10 residues pruned to eliminate duplicates Z: 8 12.538 1.942 0.306 0.700 1.000 0.571 CB 1.557 7 residues pruned to eliminate duplicates Z: 26 13.341 1.864 0.322 0.451 0.880 0.520 CB 1.294 38 residues pruned to eliminate duplicates Z: 26 11.426 1.835 0.189 0.449 0.880 0.320 CB 1.254 26 residues pruned to eliminate duplicates Z: 10 6.906 1.868 0.255 0.493 0.778 0.111 CB 1.272 Z: 7 5.334 1.789 0.171 0.625 0.667 0.333 CB 1.387 7 residues pruned to eliminate duplicates Z: 24 11.869 1.941 0.105 0.415 0.957 0.348 CB 1.318 34 residues pruned to eliminate duplicates Z: 24 14.217 1.971 0.245 0.455 0.957 0.522 CB 1.324 24 residues pruned to eliminate duplicates Z: 24 13.254 1.943 0.190 0.438 0.957 0.522 CB 1.333 24 residues pruned to eliminate duplicates Z: 24 13.758 1.963 0.219 0.462 0.957 0.435 CB 1.303 24 residues pruned to eliminate duplicates Z: 17 13.024 1.924 0.346 0.468 0.938 0.438 CB 1.386 Z: 6 3.095 1.244 0.365 0.421 1.000 0.800 CB 0.885 Z: 9 5.253 1.810 0.427 0.352 0.875 0.250 CA 0.965 9 residues pruned to eliminate duplicates Z: 61 24.254 1.970 0.249 0.448 0.950 0.517 CA 1.413 61 residues pruned to eliminate duplicates Z: 9 5.291 1.849 0.231 0.240 0.875 0.375 CA 1.269 9 residues pruned to eliminate duplicates Z: 10 4.167 1.790 0.220 0.214 0.778 0.222 CA 1.145 10 residues pruned to eliminate duplicates Z: 61 26.580 2.004 0.340 0.454 0.933 0.667 CA 1.435 61 residues pruned to eliminate duplicates Z: 15 6.721 1.836 0.172 0.193 0.929 0.500 CB 1.298 15 residues pruned to eliminate duplicates Z: 19 9.509 1.925 0.284 0.402 0.778 0.444 CA 1.293 19 residues pruned to eliminate duplicates Z: 21 11.131 1.927 0.245 0.350 0.900 0.500 CA 1.357 21 residues pruned to eliminate duplicates Z: 22 8.984 1.894 0.277 0.333 0.810 0.286 CA 1.202 22 residues pruned to eliminate duplicates Z: 21 10.305 1.891 0.261 0.386 0.850 0.500 CA 1.283 21 residues pruned to eliminate duplicates Z: 54 20.643 1.983 0.296 0.451 0.887 0.623 CA 1.308 54 residues pruned to eliminate duplicates Z: 21 11.450 1.929 0.262 0.403 0.900 0.600 CA 1.294 21 residues pruned to eliminate duplicates Z: 30 15.642 1.870 0.206 0.428 0.931 0.586 CA 1.490 30 residues pruned to eliminate duplicates Z: 58 23.006 1.953 0.242 0.462 0.930 0.667 CA 1.405 58 residues pruned to eliminate duplicates Z: 20 8.186 1.809 0.116 0.333 0.895 0.579 CB 1.247 20 residues pruned to eliminate duplicates Z: 63 24.398 1.988 0.292 0.457 0.919 0.548 CA 1.372 63 residues pruned to eliminate duplicates Z: 41 19.558 1.907 0.409 0.406 0.925 0.575 CA 1.372 48 residues pruned to eliminate duplicates Z: 6 3.201 1.447 0.180 0.388 1.000 0.600 CA 0.944 6 residues pruned to eliminate duplicates Z: 44 22.102 1.974 0.281 0.465 0.930 0.535 CA 1.484 44 residues pruned to eliminate duplicates Z: 55 21.152 1.981 0.271 0.429 0.870 0.537 CA 1.414 55 residues pruned to eliminate duplicates Z: 41 21.782 1.962 0.294 0.478 0.925 0.675 CA 1.500 41 residues pruned to eliminate duplicates Z: 50 21.168 1.954 0.277 0.414 0.898 0.490 CA 1.477 50 residues pruned to eliminate duplicates Z: 42 25.194 2.046 0.364 0.493 0.951 0.610 CA 1.493 43 residues pruned to eliminate duplicates Z: 6 7.639 2.036 0.442 0.546 0.800 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 64 23.378 1.953 0.271 0.403 0.937 0.524 CA 1.403 64 residues pruned to eliminate duplicates Z: 45 19.985 1.960 0.298 0.470 0.841 0.591 CA 1.452 45 residues pruned to eliminate duplicates Z: 54 23.949 1.980 0.300 0.482 0.887 0.642 CA 1.467 54 residues pruned to eliminate duplicates Z: 59 26.570 1.980 0.358 0.460 0.948 0.638 CA 1.425 59 residues pruned to eliminate duplicates Z: 42 22.802 2.003 0.346 0.509 0.951 0.634 CA 1.377 42 residues pruned to eliminate duplicates Z: 49 23.220 1.983 0.317 0.436 0.917 0.583 CA 1.496 49 residues pruned to eliminate duplicates Z: 27 16.618 2.042 0.140 0.519 0.962 0.615 CA 1.429 27 residues pruned to eliminate duplicates Z: 40 21.440 2.007 0.252 0.509 0.949 0.718 CA 1.427 40 residues pruned to eliminate duplicates Z: 31 20.586 1.957 0.341 0.451 1.000 0.667 CB 1.505 31 residues pruned to eliminate duplicates Z: 48 21.577 1.969 0.308 0.423 0.915 0.553 CA 1.446 48 residues pruned to eliminate duplicates Z: 61 22.962 1.965 0.240 0.438 0.933 0.633 CA 1.390 61 residues pruned to eliminate duplicates Z: 61 22.015 1.960 0.241 0.435 0.883 0.533 CA 1.415 61 residues pruned to eliminate duplicates Z: 45 20.707 1.989 0.228 0.479 0.909 0.591 CB 1.436 45 residues pruned to eliminate duplicates Z: 25 15.583 1.958 0.200 0.400 1.000 0.667 CB 1.505 25 residues pruned to eliminate duplicates Z: 49 19.291 1.979 0.247 0.380 0.896 0.458 CA 1.432 49 residues pruned to eliminate duplicates Z: 62 24.431 1.962 0.288 0.421 0.918 0.541 CA 1.462 62 residues pruned to eliminate duplicates Z: 63 24.379 1.978 0.300 0.455 0.887 0.613 CA 1.422 63 residues pruned to eliminate duplicates Z: 44 22.843 1.980 0.356 0.479 0.930 0.605 CA 1.425 44 residues pruned to eliminate duplicates Z: 43 21.310 1.980 0.229 0.500 0.929 0.524 CA 1.454 43 residues pruned to eliminate duplicates Z: 14 10.599 2.016 0.318 0.580 0.846 0.538 CB 1.211 14 residues pruned to eliminate duplicates Z: 40 21.744 2.020 0.261 0.495 0.974 0.590 CA 1.411 40 residues pruned to eliminate duplicates Z: 61 22.609 1.978 0.211 0.455 0.900 0.583 CA 1.418 61 residues pruned to eliminate duplicates Z: 62 23.884 1.955 0.294 0.428 0.885 0.639 CB 1.472 62 residues pruned to eliminate duplicates Z: 63 24.412 1.985 0.259 0.443 0.919 0.597 CA 1.430 63 residues pruned to eliminate duplicates Z: 55 25.147 1.987 0.335 0.479 0.944 0.593 CB 1.396 55 residues pruned to eliminate duplicates Z: 65 24.736 1.967 0.295 0.428 0.922 0.531 CA 1.419 65 residues pruned to eliminate duplicates Z: 13 12.516 2.084 0.250 0.587 0.917 0.667 CA 1.392 13 residues pruned to eliminate duplicates Z: 44 22.816 1.989 0.339 0.466 0.953 0.581 CA 1.418 44 residues pruned to eliminate duplicates Z: 6 3.382 1.667 0.630 0.284 0.600 0.000 CB 1.184 6 residues pruned to eliminate duplicates Z: 13 16.394 2.108 0.559 0.566 0.917 0.500 CA 1.475 13 residues pruned to eliminate duplicates Z: 6 3.119 1.457 0.825 0.287 0.800 0.400 CA 0.833 6 residues pruned to eliminate duplicates Z: 27 13.623 1.830 0.448 0.320 0.846 0.346 CA 1.452 19 residues pruned to eliminate duplicates Z: 6 3.559 1.780 -0.013 0.382 0.800 0.400 O 1.283 6 residues pruned to eliminate duplicates Z: 24 11.809 1.795 0.261 0.367 0.913 0.435 CB 1.374 18 residues pruned to eliminate duplicates Z: 8 5.219 1.496 0.751 0.419 0.714 0.429 CB 1.147 8 residues pruned to eliminate duplicates Z: 7 5.534 1.585 0.857 0.495 0.833 0.167 CA 0.926 7 residues pruned to eliminate duplicates Z: 7 9.020 1.768 0.843 0.704 1.000 0.333 CB 0.939 7 residues pruned to eliminate duplicates Z: 6 6.060 1.800 0.664 0.646 0.800 0.400 CB 0.988 6 residues pruned to eliminate duplicates Z: 10 7.162 1.704 0.541 0.457 0.889 0.444 CB 1.069 12 residues pruned to eliminate duplicates Z: 6 2.646 1.831 0.111 0.309 0.800 0.400 CB 0.898 6 residues pruned to eliminate duplicates Z: 10 5.244 1.929 0.201 0.195 0.889 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 14 6.759 1.902 0.479 0.163 0.846 0.692 CA 1.187 21 residues pruned to eliminate duplicates Z: 7 6.110 1.935 0.526 0.297 0.833 0.500 CA 1.273 7 residues pruned to eliminate duplicates Z: 31 14.272 1.989 0.400 0.323 0.800 0.533 CA 1.422 43 residues pruned to eliminate duplicates Z: 33 14.435 1.992 0.395 0.333 0.781 0.500 CB 1.411 27 residues pruned to eliminate duplicates Z: 6 9.265 1.824 0.878 0.423 1.000 0.800 CA 1.311 6 residues pruned to eliminate duplicates Z: 15 12.337 2.078 0.516 0.400 0.786 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 32 13.385 1.883 0.411 0.322 0.806 0.419 CB 1.366 32 residues pruned to eliminate duplicates Z: 31 13.796 1.940 0.332 0.398 0.767 0.600 CA 1.416 31 residues pruned to eliminate duplicates Z: 33 17.142 2.009 0.452 0.338 0.844 0.531 CA 1.470 37 residues pruned to eliminate duplicates Z: 16 11.304 2.000 0.417 0.358 0.800 0.467 CA 1.501 16 residues pruned to eliminate duplicates Z: 16 13.081 2.083 0.374 0.380 0.867 0.533 CA 1.548 16 residues pruned to eliminate duplicates Z: 32 16.812 2.003 0.443 0.349 0.871 0.516 CA 1.414 32 residues pruned to eliminate duplicates Z: 7 3.346 1.716 0.258 0.325 0.667 0.333 CB 1.151 7 residues pruned to eliminate duplicates Z: 14 13.190 2.122 0.356 0.411 0.846 0.615 CA 1.649 14 residues pruned to eliminate duplicates Z: 9 5.651 2.008 0.149 0.232 0.750 0.375 CA 1.578 9 residues pruned to eliminate duplicates Z: 33 14.996 2.003 0.405 0.340 0.781 0.469 CB 1.436 27 residues pruned to eliminate duplicates Z: 6 6.431 1.480 1.004 0.494 1.000 0.800 CA 0.975 6 residues pruned to eliminate duplicates Z: 18 17.354 2.115 0.459 0.464 0.941 0.647 CB 1.503 20 residues pruned to eliminate duplicates Z: 6 4.471 1.846 0.420 0.183 0.800 0.400 CA 1.396 6 residues pruned to eliminate duplicates Z: 17 13.444 2.079 0.261 0.487 0.938 0.750 CB 1.385 17 residues pruned to eliminate duplicates Z: 28 15.802 2.007 0.318 0.371 0.889 0.630 CB 1.484 27 residues pruned to eliminate duplicates Z: 6 3.669 1.609 0.253 0.303 0.800 0.400 CB 1.267 6 residues pruned to eliminate duplicates Z: 21 13.540 2.104 0.232 0.425 0.850 0.650 CB 1.486 21 residues pruned to eliminate duplicates Z: 25 11.473 1.961 0.481 0.371 0.708 0.500 CB 1.307 25 residues pruned to eliminate duplicates Z: 17 18.231 2.139 0.566 0.483 0.938 0.750 CB 1.476 17 residues pruned to eliminate duplicates Z: 18 16.444 2.111 0.503 0.497 0.882 0.706 CB 1.430 18 residues pruned to eliminate duplicates Z: 21 14.501 2.063 0.429 0.396 0.850 0.650 CB 1.443 21 residues pruned to eliminate duplicates Z: 18 16.503 2.196 0.253 0.486 0.941 0.706 CB 1.568 18 residues pruned to eliminate duplicates Z: 28 19.991 2.150 0.460 0.397 0.889 0.667 CB 1.537 28 residues pruned to eliminate duplicates Z: 31 20.632 2.100 0.445 0.378 0.933 0.633 CB 1.515 31 residues pruned to eliminate duplicates Z: 11 7.021 2.054 0.388 0.250 0.700 0.400 CB 1.484 11 residues pruned to eliminate duplicates Z: 12 10.275 2.130 0.438 0.346 0.727 0.455 CB 1.644 12 residues pruned to eliminate duplicates Z: 10 10.147 2.128 0.623 0.420 0.667 0.444 CB 1.596 10 residues pruned to eliminate duplicates Z: 11 8.561 1.916 0.709 0.367 0.700 0.600 CA 1.362 11 residues pruned to eliminate duplicates Z: 84 49.155 2.173 0.600 0.568 0.952 0.639 CB 1.526 84 residues pruned to eliminate duplicates Z: 48 38.291 2.136 0.635 0.630 0.915 0.660 CB 1.547 48 residues pruned to eliminate duplicates Z: 46 43.589 2.210 0.763 0.635 0.933 0.622 CA 1.574 46 residues pruned to eliminate duplicates Z: 54 40.520 2.132 0.602 0.648 0.981 0.736 CB 1.447 54 residues pruned to eliminate duplicates Z: 81 50.310 2.145 0.764 0.552 0.938 0.575 CB 1.506 81 residues pruned to eliminate duplicates Z: 53 42.239 2.171 0.671 0.649 0.962 0.673 CA 1.461 53 residues pruned to eliminate duplicates Z: 70 39.375 2.143 0.574 0.566 0.870 0.696 CB 1.516 70 residues pruned to eliminate duplicates Z: 65 41.292 2.207 0.518 0.587 0.906 0.578 CB 1.564 65 residues pruned to eliminate duplicates Z: 64 43.440 2.146 0.640 0.587 0.968 0.651 CB 1.477 64 residues pruned to eliminate duplicates Z: 67 43.740 2.187 0.626 0.543 0.939 0.652 CB 1.545 67 residues pruned to eliminate duplicates Z: 73 48.447 2.193 0.699 0.558 0.917 0.528 CB 1.579 73 residues pruned to eliminate duplicates Z: 65 47.952 2.219 0.707 0.571 0.922 0.547 CB 1.603 65 residues pruned to eliminate duplicates Z: 56 42.874 2.197 0.600 0.581 0.945 0.600 CB 1.609 56 residues pruned to eliminate duplicates Z: 77 48.430 2.179 0.668 0.543 0.947 0.566 CB 1.547 77 residues pruned to eliminate duplicates Z: 32 42.397 2.260 0.813 0.693 0.968 0.645 CA 1.610 32 residues pruned to eliminate duplicates Z: 47 41.823 2.200 0.641 0.659 0.978 0.630 CA 1.506 47 residues pruned to eliminate duplicates Z: 45 44.894 2.205 0.715 0.675 1.000 0.727 CA 1.523 45 residues pruned to eliminate duplicates Z: 54 42.169 2.198 0.649 0.629 0.962 0.698 CB 1.471 54 residues pruned to eliminate duplicates Z: 35 33.634 2.146 0.655 0.662 0.971 0.735 CA 1.439 35 residues pruned to eliminate duplicates Z: 52 43.391 2.207 0.595 0.653 0.941 0.725 CA 1.590 52 residues pruned to eliminate duplicates Z: 85 47.816 2.177 0.638 0.517 0.929 0.536 CB 1.548 85 residues pruned to eliminate duplicates Z: 74 48.735 2.199 0.633 0.544 0.932 0.616 CA 1.634 74 residues pruned to eliminate duplicates Z: 55 39.041 2.128 0.600 0.628 0.926 0.648 CB 1.493 55 residues pruned to eliminate duplicates Z: 53 44.921 2.205 0.575 0.654 0.981 0.692 CB 1.585 53 residues pruned to eliminate duplicates Z: 103 51.745 2.159 0.603 0.529 0.931 0.588 CB 1.544 103 residues pruned to eliminate duplicates Z: 73 51.458 2.205 0.676 0.585 0.972 0.639 CB 1.555 73 residues pruned to eliminate duplicates Z: 45 40.381 2.164 0.664 0.674 0.932 0.705 CA 1.546 45 residues pruned to eliminate duplicates Z: 55 44.863 2.212 0.638 0.629 0.963 0.611 CB 1.550 55 residues pruned to eliminate duplicates Z: 63 44.349 2.191 0.629 0.587 0.935 0.532 CB 1.551 63 residues pruned to eliminate duplicates Z: 32 34.810 2.223 0.700 0.661 0.968 0.742 CA 1.472 32 residues pruned to eliminate duplicates Z: 39 44.790 2.237 0.819 0.671 0.947 0.658 CA 1.610 39 residues pruned to eliminate duplicates Z: 66 44.122 2.194 0.612 0.573 0.923 0.554 CB 1.563 66 residues pruned to eliminate duplicates Z: 108 45.278 2.101 0.578 0.496 0.897 0.570 CB 1.478 108 residues pruned to eliminate duplicates Z: 45 39.858 2.198 0.580 0.689 0.977 0.705 CA 1.489 45 residues pruned to eliminate duplicates Z: 44 37.102 2.173 0.608 0.597 0.953 0.651 CB 1.548 44 residues pruned to eliminate duplicates Z: 39 33.239 2.152 0.829 0.528 0.868 0.474 CB 1.534 39 residues pruned to eliminate duplicates Z: 75 51.481 2.178 0.693 0.577 0.973 0.541 CB 1.548 75 residues pruned to eliminate duplicates Z: 47 40.675 2.184 0.695 0.648 0.957 0.587 CA 1.476 47 residues pruned to eliminate duplicates Z: 58 46.682 2.209 0.622 0.613 0.947 0.684 CB 1.636 58 residues pruned to eliminate duplicates Z: 55 41.899 2.202 0.627 0.597 0.944 0.704 CA 1.537 55 residues pruned to eliminate duplicates Z: 58 43.030 2.200 0.722 0.602 0.912 0.614 CB 1.496 58 residues pruned to eliminate duplicates Z: 16 16.693 2.044 0.501 0.607 0.933 0.600 CB 1.360 16 residues pruned to eliminate duplicates Z: 56 49.694 2.241 0.709 0.623 0.982 0.673 CB 1.587 56 residues pruned to eliminate duplicates Z: 26 22.939 2.129 0.395 0.510 0.960 0.400 CB 1.592 26 residues pruned to eliminate duplicates Z: 42 24.648 2.041 0.574 0.420 0.927 0.463 CB 1.404 42 residues pruned to eliminate duplicates Z: 44 27.904 2.117 0.524 0.503 0.907 0.419 CB 1.450 44 residues pruned to eliminate duplicates Z: 23 19.178 2.121 0.382 0.535 0.955 0.636 CB 1.412 23 residues pruned to eliminate duplicates Z: 47 27.280 2.064 0.539 0.457 0.913 0.413 CB 1.450 47 residues pruned to eliminate duplicates Z: 74 51.357 2.214 0.708 0.584 0.945 0.534 CB 1.551 74 residues pruned to eliminate duplicates Z: 75 47.989 2.157 0.697 0.574 0.946 0.568 CB 1.500 75 residues pruned to eliminate duplicates Z: 11 19.302 2.173 0.947 0.393 1.000 0.500 CB 1.617 11 residues pruned to eliminate duplicates Z: 59 46.361 2.213 0.695 0.600 0.966 0.552 CB 1.528 59 residues pruned to eliminate duplicates Z: 77 50.024 2.173 0.735 0.550 0.947 0.474 CB 1.531 77 residues pruned to eliminate duplicates Z: 32 28.710 2.186 0.657 0.463 0.935 0.387 CB 1.581 32 residues pruned to eliminate duplicates Z: 65 52.850 2.219 0.783 0.596 0.969 0.484 CB 1.573 65 residues pruned to eliminate duplicates Z: 31 22.682 2.170 0.794 0.375 0.833 0.467 CB 1.459 31 residues pruned to eliminate duplicates Z: 31 26.699 2.171 0.784 0.385 0.933 0.467 CB 1.524 31 residues pruned to eliminate duplicates Z: 31 25.437 2.082 0.718 0.444 0.933 0.467 CB 1.474 31 residues pruned to eliminate duplicates Z: 31 23.960 2.174 0.635 0.388 0.933 0.500 CB 1.485 31 residues pruned to eliminate duplicates Z: 84 46.715 2.187 0.606 0.534 0.928 0.530 CB 1.522 84 residues pruned to eliminate duplicates Z: 45 28.474 2.090 0.644 0.447 0.909 0.455 CB 1.451 45 residues pruned to eliminate duplicates Z: 64 49.004 2.194 0.895 0.549 0.905 0.333 CB 1.564 64 residues pruned to eliminate duplicates Z: 18 12.458 1.974 0.664 0.366 0.824 0.353 CB 1.289 18 residues pruned to eliminate duplicates Z: 25 18.034 2.028 0.811 0.386 0.875 0.458 CB 1.292 25 residues pruned to eliminate duplicates Z: 30 15.518 2.077 0.540 0.340 0.793 0.448 CB 1.352 30 residues pruned to eliminate duplicates Z: 23 22.470 2.175 0.792 0.355 0.955 0.500 CB 1.506 23 residues pruned to eliminate duplicates Z: 47 30.113 2.129 0.735 0.460 0.891 0.478 CB 1.404 47 residues pruned to eliminate duplicates Z: 30 24.711 2.218 0.656 0.433 0.897 0.414 CB 1.494 30 residues pruned to eliminate duplicates Z: 30 23.904 2.116 0.866 0.419 0.897 0.483 CB 1.365 30 residues pruned to eliminate duplicates Z: 71 47.799 2.189 0.717 0.556 0.943 0.571 CB 1.527 71 residues pruned to eliminate duplicates Z: 22 18.908 2.152 0.780 0.406 0.857 0.381 CB 1.387 22 residues pruned to eliminate duplicates Z: 30 24.082 2.177 0.874 0.398 0.862 0.483 CB 1.415 30 residues pruned to eliminate duplicates Z: 74 51.508 2.198 0.658 0.603 0.945 0.658 CB 1.586 74 residues pruned to eliminate duplicates Z: 31 26.385 2.143 0.922 0.418 0.867 0.633 CB 1.470 31 residues pruned to eliminate duplicates Z: 8 4.105 1.767 0.484 0.234 0.714 0.429 CB 1.129 8 residues pruned to eliminate duplicates Z: 8 3.708 1.784 0.420 0.230 0.571 0.286 CA 1.326 8 residues pruned to eliminate duplicates Z: 10 5.755 1.675 0.436 0.306 0.667 0.000 CA 1.484 3 residues pruned to eliminate duplicates Z: 6 7.775 2.016 0.828 0.412 0.800 0.200 CA 1.292 6 residues pruned to eliminate duplicates Z: 33 16.137 1.859 0.600 0.325 0.844 0.438 CB 1.378 33 residues pruned to eliminate duplicates Z: 19 12.659 1.924 0.589 0.390 0.833 0.278 CB 1.316 19 residues pruned to eliminate duplicates Z: 33 15.916 1.868 0.603 0.351 0.781 0.625 CB 1.413 33 residues pruned to eliminate duplicates Z: 14 10.999 1.966 0.363 0.404 0.846 0.308 CB 1.489 14 residues pruned to eliminate duplicates Z: 40 17.339 1.854 0.479 0.375 0.846 0.513 CB 1.367 75 residues pruned to eliminate duplicates Z: 34 18.166 1.874 0.575 0.372 0.848 0.515 CB 1.448 6 1.755 1.164 0.363 0.333 0.800 0.200 N 0.742 ? Z: 6 3.799 1.620 0.722 0.150 0.800 0.000 C 1.171 6 residues pruned to eliminate duplicates Z: 17 10.032 1.713 0.451 0.364 0.938 0.438 CA 1.246 16 residues pruned to eliminate duplicates Z: 14 22.753 2.144 0.594 0.918 1.000 0.769 CB 1.302 14 residues pruned to eliminate duplicates Z: 49 30.461 2.002 0.706 0.614 0.917 0.688 CB 1.261 49 residues pruned to eliminate duplicates Z: 64 39.733 2.037 0.609 0.589 0.984 0.619 CB 1.425 64 residues pruned to eliminate duplicates Z: 65 34.887 2.020 0.518 0.552 0.922 0.672 CA 1.467 65 residues pruned to eliminate duplicates Z: 39 26.989 1.936 0.717 0.626 0.947 0.737 CB 1.235 39 residues pruned to eliminate duplicates Z: 62 33.185 1.981 0.608 0.506 0.934 0.623 CB 1.419 62 residues pruned to eliminate duplicates Z: 48 30.900 1.942 0.595 0.626 0.957 0.617 CB 1.349 48 residues pruned to eliminate duplicates Z: 65 35.683 1.998 0.639 0.534 0.906 0.609 CA 1.453 65 residues pruned to eliminate duplicates Z: 37 24.794 1.989 0.608 0.571 0.917 0.722 CB 1.317 37 residues pruned to eliminate duplicates Z: 36 26.278 1.982 0.672 0.632 0.943 0.714 CB 1.256 36 residues pruned to eliminate duplicates Z: 46 31.244 1.939 0.774 0.683 0.933 0.667 CB 1.227 46 residues pruned to eliminate duplicates Z: 65 37.768 2.016 0.721 0.581 0.953 0.672 CB 1.320 65 residues pruned to eliminate duplicates Z: 64 37.778 2.040 0.625 0.565 0.937 0.587 CB 1.440 64 residues pruned to eliminate duplicates Z: 62 41.119 2.023 0.759 0.598 0.967 0.541 CB 1.393 52 residues pruned to eliminate duplicates Z: 11 10.928 1.764 0.539 0.795 0.800 0.500 CA 1.228 11 residues pruned to eliminate duplicates Z: 62 33.752 2.010 0.576 0.562 0.902 0.557 CA 1.424 62 residues pruned to eliminate duplicates Z: 64 37.027 2.041 0.579 0.579 0.952 0.603 CB 1.408 64 residues pruned to eliminate duplicates Z: 66 36.199 2.029 0.527 0.571 0.969 0.723 CB 1.397 66 residues pruned to eliminate duplicates Z: 52 34.934 2.004 0.686 0.653 0.980 0.627 CB 1.281 52 residues pruned to eliminate duplicates Z: 51 32.848 2.003 0.718 0.687 0.940 0.740 CB 1.210 51 residues pruned to eliminate duplicates Z: 64 41.453 2.027 0.722 0.615 0.968 0.762 CB 1.386 64 residues pruned to eliminate duplicates Z: 42 28.843 1.996 0.630 0.682 0.927 0.537 CB 1.264 42 residues pruned to eliminate duplicates Z: 55 39.249 2.032 0.755 0.622 0.944 0.759 CB 1.414 55 residues pruned to eliminate duplicates Z: 61 33.275 2.026 0.557 0.521 0.933 0.600 CA 1.430 61 residues pruned to eliminate duplicates Z: 65 37.605 2.018 0.704 0.564 0.953 0.531 CB 1.348 65 residues pruned to eliminate duplicates Z: 64 38.636 2.028 0.605 0.594 0.921 0.571 CB 1.484 64 residues pruned to eliminate duplicates Z: 65 42.639 2.035 0.761 0.597 0.938 0.531 CB 1.446 65 residues pruned to eliminate duplicates Z: 65 37.748 2.000 0.730 0.561 0.953 0.500 CB 1.349 65 residues pruned to eliminate duplicates Z: 62 33.872 2.029 0.530 0.549 0.902 0.623 CA 1.477 62 residues pruned to eliminate duplicates Z: 39 23.394 2.095 0.552 0.429 0.921 0.605 CA 1.365 39 residues pruned to eliminate duplicates Z: 65 35.121 2.009 0.575 0.540 0.938 0.594 CB 1.424 65 residues pruned to eliminate duplicates Z: 13 14.022 2.017 0.712 0.428 0.917 0.583 CA 1.378 13 residues pruned to eliminate duplicates Z: 63 37.071 2.052 0.536 0.582 0.952 0.613 CB 1.451 63 residues pruned to eliminate duplicates Z: 53 28.916 2.008 0.520 0.507 0.923 0.577 CA 1.413 53 residues pruned to eliminate duplicates Z: 58 25.011 1.946 0.570 0.416 0.895 0.526 CA 1.323 58 residues pruned to eliminate duplicates Z: 44 29.882 2.040 0.496 0.529 0.930 0.535 CB 1.561 44 residues pruned to eliminate duplicates Z: 65 36.958 2.000 0.598 0.557 0.969 0.562 CB 1.412 65 residues pruned to eliminate duplicates Z: 64 40.717 2.039 0.698 0.575 0.968 0.635 CB 1.423 64 residues pruned to eliminate duplicates Z: 59 35.839 2.038 0.577 0.589 0.948 0.655 CA 1.418 59 residues pruned to eliminate duplicates Z: 63 39.190 2.044 0.623 0.545 0.968 0.629 CA 1.483 63 residues pruned to eliminate duplicates Z: 48 27.864 2.078 0.417 0.518 0.915 0.660 CA 1.482 48 residues pruned to eliminate duplicates Z: 64 35.875 2.028 0.517 0.620 0.937 0.714 CB 1.401 64 residues pruned to eliminate duplicates Z: 62 34.213 1.981 0.659 0.534 0.918 0.607 CB 1.404 62 residues pruned to eliminate duplicates Z: 44 22.005 1.921 0.568 0.479 0.907 0.558 CA 1.255 44 residues pruned to eliminate duplicates Z: 31 27.206 2.088 0.514 0.627 0.967 0.767 CB 1.443 31 residues pruned to eliminate duplicates Z: 66 34.007 2.002 0.518 0.554 0.954 0.631 CA 1.381 66 residues pruned to eliminate duplicates Z: 60 32.894 2.006 0.574 0.521 0.915 0.610 CB 1.452 36 residues pruned to eliminate duplicates Z: 7 4.698 1.540 0.376 0.336 1.000 0.500 CA 1.083 7 residues pruned to eliminate duplicates Z: 51 24.662 1.875 0.504 0.535 0.960 0.600 CB 1.244 51 residues pruned to eliminate duplicates Z: 65 32.030 2.013 0.467 0.545 0.922 0.641 CA 1.407 65 residues pruned to eliminate duplicates Z: 36 18.261 1.916 0.410 0.461 0.857 0.714 CB 1.388 36 residues pruned to eliminate duplicates Z: 24 18.145 2.075 0.621 0.403 0.870 0.652 CA 1.433 24 residues pruned to eliminate duplicates Z: 47 26.497 2.006 0.539 0.486 0.913 0.696 CB 1.406 47 residues pruned to eliminate duplicates Z: 31 26.650 2.102 0.395 0.625 0.967 0.800 CA 1.526 31 residues pruned to eliminate duplicates Z: 64 36.316 2.010 0.644 0.587 0.921 0.683 CB 1.384 48 residues pruned to eliminate duplicates Z: 19 19.334 1.908 0.346 0.896 0.944 0.889 CB 1.346 16 residues pruned to eliminate duplicates Z: 22 18.541 1.969 0.149 0.902 1.000 0.905 CB 1.276 22 residues pruned to eliminate duplicates Z: 49 36.155 2.043 0.603 0.722 0.979 0.854 CB 1.332 41 residues pruned to eliminate duplicates Z: 21 24.146 2.008 0.420 0.917 1.000 0.900 CB 1.337 21 residues pruned to eliminate duplicates Z: 64 35.081 2.033 0.558 0.566 0.952 0.651 CB 1.374 64 residues pruned to eliminate duplicates Z: 41 31.064 2.079 0.634 0.595 0.900 0.700 CB 1.468 41 residues pruned to eliminate duplicates Z: 16 20.144 2.085 0.452 0.856 0.933 0.533 CA 1.358 16 residues pruned to eliminate duplicates Z: 49 34.670 2.068 0.716 0.559 0.917 0.479 CB 1.453 49 residues pruned to eliminate duplicates Z: 35 32.580 2.040 0.707 0.701 0.941 0.618 CA 1.419 35 residues pruned to eliminate duplicates Z: 18 23.601 2.004 0.710 0.789 0.941 0.471 CA 1.376 18 residues pruned to eliminate duplicates Z: 47 35.947 2.064 0.605 0.621 0.957 0.478 CA 1.492 47 residues pruned to eliminate duplicates Z: 128 47.718 1.986 0.644 0.550 0.898 0.520 CB 1.376 128 residues pruned to eliminate duplicates Z: 64 41.704 2.076 0.617 0.586 0.952 0.556 CA 1.513 64 residues pruned to eliminate duplicates Z: 17 23.923 2.065 0.638 0.793 1.000 0.500 CA 1.368 17 residues pruned to eliminate duplicates Z: 63 39.749 2.085 0.584 0.590 0.919 0.452 CA 1.525 63 residues pruned to eliminate duplicates Z: 16 22.939 2.101 0.737 0.864 0.933 0.333 CA 1.275 16 residues pruned to eliminate duplicates Z: 44 31.815 2.044 0.638 0.578 0.907 0.605 CA 1.483 44 residues pruned to eliminate duplicates Z: 66 37.968 2.079 0.627 0.581 0.862 0.508 CA 1.495 66 residues pruned to eliminate duplicates Z: 72 36.922 2.046 0.491 0.586 0.930 0.648 CA 1.423 72 residues pruned to eliminate duplicates Z: 34 30.609 2.047 0.626 0.719 0.939 0.697 CA 1.398 34 residues pruned to eliminate duplicates Z: 35 33.623 2.084 0.687 0.712 0.971 0.588 CA 1.394 35 residues pruned to eliminate duplicates Z: 58 36.974 2.063 0.601 0.614 0.912 0.491 CA 1.459 58 residues pruned to eliminate duplicates Z: 59 37.303 2.085 0.546 0.556 0.948 0.466 CA 1.518 59 residues pruned to eliminate duplicates Z: 70 38.500 2.067 0.555 0.550 0.942 0.464 CA 1.458 70 residues pruned to eliminate duplicates Z: 24 23.560 2.028 0.574 0.652 1.000 0.435 CA 1.336 24 residues pruned to eliminate duplicates Z: 9 2.190 1.789 0.168 0.062 0.875 0.500 CB 0.753 9 residues pruned to eliminate duplicates Z: 40 31.193 2.082 0.649 0.492 1.000 0.513 CB 1.467 40 residues pruned to eliminate duplicates Z: 40 28.083 2.077 0.614 0.482 0.949 0.513 CB 1.440 40 residues pruned to eliminate duplicates Z: 21 21.211 1.926 0.904 0.558 0.900 0.650 CB 1.358 21 residues pruned to eliminate duplicates Z: 45 31.628 2.094 0.537 0.503 0.977 0.523 CA 1.512 45 residues pruned to eliminate duplicates Z: 46 28.680 2.059 0.469 0.523 0.911 0.622 CA 1.517 46 residues pruned to eliminate duplicates Z: 16 16.634 1.971 0.630 0.576 0.933 0.667 CB 1.331 16 residues pruned to eliminate duplicates Z: 12 19.639 2.028 0.807 0.715 0.909 0.545 CA 1.463 12 residues pruned to eliminate duplicates Z: 36 30.519 2.103 0.628 0.506 0.943 0.629 CA 1.589 36 residues pruned to eliminate duplicates Z: 57 36.378 2.087 0.570 0.577 0.929 0.429 CA 1.483 57 residues pruned to eliminate duplicates Z: 15 17.992 2.101 0.631 0.595 0.929 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 44 28.671 2.098 0.565 0.496 0.907 0.488 CA 1.473 44 residues pruned to eliminate duplicates Z: 39 30.131 2.111 0.543 0.506 0.974 0.553 CB 1.533 39 residues pruned to eliminate duplicates Z: 65 38.088 2.077 0.584 0.575 0.938 0.500 CA 1.436 65 residues pruned to eliminate duplicates Z: 40 25.501 2.085 0.458 0.460 0.923 0.590 CB 1.515 40 residues pruned to eliminate duplicates Z: 44 30.077 2.056 0.523 0.524 0.953 0.628 CB 1.501 44 residues pruned to eliminate duplicates Z: 64 37.277 2.069 0.595 0.579 0.889 0.492 CA 1.484 64 residues pruned to eliminate duplicates Z: 44 30.726 2.083 0.639 0.508 0.907 0.535 CB 1.501 44 residues pruned to eliminate duplicates Z: 24 22.427 2.104 0.727 0.382 0.913 0.435 CA 1.598 24 residues pruned to eliminate duplicates Z: 63 39.348 2.066 0.609 0.592 0.935 0.516 CA 1.471 63 residues pruned to eliminate duplicates Z: 45 33.660 2.124 0.631 0.479 0.955 0.523 CB 1.567 45 residues pruned to eliminate duplicates Z: 57 41.126 2.100 0.639 0.603 0.946 0.536 CA 1.530 57 residues pruned to eliminate duplicates Z: 42 27.034 2.086 0.595 0.433 0.927 0.463 CB 1.468 42 residues pruned to eliminate duplicates Z: 63 38.180 2.101 0.542 0.578 0.935 0.516 CA 1.485 63 residues pruned to eliminate duplicates Z: 43 25.099 2.055 0.612 0.421 0.857 0.524 CB 1.481 43 residues pruned to eliminate duplicates Z: 26 20.642 2.057 0.662 0.370 0.880 0.440 CA 1.577 26 residues pruned to eliminate duplicates Z: 28 16.285 1.989 0.526 0.342 0.852 0.370 CA 1.439 28 residues pruned to eliminate duplicates Z: 24 13.624 1.983 0.349 0.329 0.870 0.609 CA 1.474 24 residues pruned to eliminate duplicates Z: 25 20.159 2.102 0.622 0.374 0.875 0.500 CA 1.578 25 residues pruned to eliminate duplicates Z: 24 15.735 1.977 0.466 0.440 0.826 0.522 CA 1.458 24 residues pruned to eliminate duplicates Z: 23 15.235 2.013 0.380 0.478 0.818 0.636 CA 1.462 23 residues pruned to eliminate duplicates Z: 20 16.130 2.050 0.269 0.529 0.895 0.526 CA 1.545 20 residues pruned to eliminate duplicates Z: 26 19.433 2.060 0.608 0.358 0.880 0.520 CA 1.554 26 residues pruned to eliminate duplicates Z: 38 25.024 2.053 0.589 0.468 0.865 0.432 CB 1.506 38 residues pruned to eliminate duplicates Z: 39 33.994 2.132 0.668 0.512 0.974 0.579 CA 1.574 39 residues pruned to eliminate duplicates Z: 30 21.275 2.088 0.460 0.440 0.966 0.586 CA 1.427 30 residues pruned to eliminate duplicates Z: 25 14.220 2.000 0.399 0.391 0.833 0.375 CA 1.397 25 residues pruned to eliminate duplicates Z: 45 30.311 2.079 0.590 0.506 0.955 0.500 CA 1.440 45 residues pruned to eliminate duplicates Z: 10 10.573 1.968 0.290 0.618 1.000 0.222 CB 1.241 10 residues pruned to eliminate duplicates Z: 47 22.535 1.992 0.462 0.460 0.848 0.565 CA 1.401 47 residues pruned to eliminate duplicates Z: 28 14.107 1.997 0.330 0.405 0.815 0.333 CA 1.387 28 residues pruned to eliminate duplicates Z: 22 14.841 2.025 0.298 0.503 0.857 0.476 CA 1.433 22 residues pruned to eliminate duplicates Z: 38 17.036 1.934 0.366 0.408 0.919 0.703 CA 1.272 38 residues pruned to eliminate duplicates Z: 8 5.335 1.714 0.438 0.390 0.857 0.571 CA 1.073 8 residues pruned to eliminate duplicates Z: 38 18.042 1.958 0.348 0.429 0.946 0.514 CA 1.279 38 residues pruned to eliminate duplicates Z: 27 13.008 1.959 0.170 0.399 0.923 0.500 CB 1.342 27 residues pruned to eliminate duplicates Z: 30 15.342 1.975 0.283 0.418 0.966 0.517 CB 1.268 30 residues pruned to eliminate duplicates Z: 36 17.516 2.008 0.257 0.430 0.943 0.571 CA 1.338 36 residues pruned to eliminate duplicates Z: 28 12.513 1.947 0.161 0.384 0.926 0.556 CA 1.302 28 residues pruned to eliminate duplicates Z: 44 14.017 1.806 0.327 0.334 0.860 0.535 CB 1.243 62 residues pruned to eliminate duplicates Z: 6 4.021 1.588 0.250 0.670 1.000 0.200 CA 0.774 6 residues pruned to eliminate duplicates Z: 31 15.887 2.001 0.221 0.466 0.933 0.667 CB 1.317 31 residues pruned to eliminate duplicates Z: 27 14.821 1.951 0.260 0.411 0.962 0.500 CA 1.351 27 residues pruned to eliminate duplicates Z: 37 16.121 1.977 0.201 0.402 0.917 0.611 CA 1.367 37 residues pruned to eliminate duplicates Z: 41 15.546 1.912 0.273 0.420 0.875 0.675 CA 1.255 41 residues pruned to eliminate duplicates Z: 22 12.210 1.974 0.159 0.487 0.857 0.619 CB 1.377 22 residues pruned to eliminate duplicates Z: 37 16.873 1.940 0.279 0.433 0.944 0.667 CB 1.285 37 residues pruned to eliminate duplicates Z: 36 17.777 1.981 0.290 0.449 0.943 0.571 CA 1.314 36 residues pruned to eliminate duplicates Z: 35 16.995 1.931 0.263 0.457 0.941 0.529 CA 1.327 35 residues pruned to eliminate duplicates Z: 22 12.633 2.039 0.157 0.457 0.905 0.571 CA 1.350 22 residues pruned to eliminate duplicates Z: 39 17.776 1.918 0.323 0.430 0.974 0.632 CB 1.254 38 residues pruned to eliminate duplicates 6 1.469 1.816 -0.096 0.374 0.600 0.200 CB 0.762 ? Z: 6 5.622 1.794 0.479 0.398 0.800 0.600 CA 1.319 6 residues pruned to eliminate duplicates Z: 9 13.116 2.052 0.395 0.533 1.000 0.750 CA 1.569 9 residues pruned to eliminate duplicates Z: 9 14.601 2.070 0.510 0.573 1.000 0.750 CB 1.539 9 residues pruned to eliminate duplicates Z: 11 12.131 1.969 0.487 0.477 1.000 0.500 CB 1.341 11 residues pruned to eliminate duplicates Z: 7 5.920 1.433 1.047 0.535 0.833 0.667 CA 0.955 7 residues pruned to eliminate duplicates Z: 12 16.710 2.084 0.546 0.542 1.000 0.727 CB 1.500 15 residues pruned to eliminate duplicates Z: 6 4.609 1.792 0.347 0.243 0.800 0.600 O 1.436 6 residues pruned to eliminate duplicates Z: 14 8.830 1.865 0.481 0.291 0.846 0.308 CA 1.325 14 residues pruned to eliminate duplicates Z: 11 8.714 2.139 0.208 0.283 0.800 0.300 CB 1.702 11 residues pruned to eliminate duplicates Z: 27 14.780 1.968 0.370 0.455 0.885 0.538 CB 1.272 27 residues pruned to eliminate duplicates Z: 17 9.055 1.953 0.309 0.325 0.812 0.438 CA 1.321 17 residues pruned to eliminate duplicates Z: 23 12.901 2.006 0.103 0.512 0.909 0.591 CA 1.352 23 residues pruned to eliminate duplicates Z: 25 18.396 1.980 0.404 0.527 0.958 0.667 CA 1.373 25 residues pruned to eliminate duplicates Z: 25 13.724 1.961 0.209 0.495 0.917 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 27 16.752 1.976 0.363 0.480 0.923 0.615 CB 1.349 27 residues pruned to eliminate duplicates Z: 29 14.078 1.934 0.243 0.373 0.929 0.571 CB 1.365 29 residues pruned to eliminate duplicates Z: 28 15.112 1.977 0.326 0.455 0.852 0.444 CA 1.364 28 residues pruned to eliminate duplicates Z: 7 7.716 2.053 -0.081 0.771 1.000 0.833 CA 1.313 7 residues pruned to eliminate duplicates Z: 26 13.943 1.976 0.254 0.416 0.880 0.600 CA 1.396 26 residues pruned to eliminate duplicates Z: 22 15.864 2.008 0.299 0.539 0.952 0.667 CA 1.341 22 residues pruned to eliminate duplicates Z: 8 8.194 1.999 0.427 0.547 1.000 0.714 CA 1.037 8 residues pruned to eliminate duplicates Z: 27 13.805 1.975 0.453 0.382 0.846 0.538 CB 1.264 27 residues pruned to eliminate duplicates Z: 23 16.462 1.993 0.424 0.489 0.909 0.682 CA 1.376 23 residues pruned to eliminate duplicates Z: 32 14.956 1.990 0.403 0.402 0.806 0.387 CB 1.322 32 residues pruned to eliminate duplicates Z: 27 12.564 1.981 0.313 0.390 0.885 0.462 CB 1.202 27 residues pruned to eliminate duplicates Z: 51 20.054 1.990 0.373 0.385 0.880 0.480 CB 1.333 51 residues pruned to eliminate duplicates Z: 20 7.654 1.881 0.269 0.295 0.789 0.368 CB 1.172 20 residues pruned to eliminate duplicates Z: 16 9.073 1.879 0.331 0.363 0.867 0.667 CB 1.252 16 residues pruned to eliminate duplicates Z: 32 15.594 1.970 0.292 0.425 0.935 0.548 CB 1.271 32 residues pruned to eliminate duplicates Z: 24 6.146 1.806 0.271 0.176 0.739 0.261 CB 1.118 24 residues pruned to eliminate duplicates Z: 23 12.078 1.914 0.272 0.412 0.955 0.500 CB 1.215 23 residues pruned to eliminate duplicates Z: 19 11.076 1.989 0.256 0.428 0.833 0.667 CB 1.352 19 residues pruned to eliminate duplicates Z: 14 7.763 1.921 0.409 0.190 0.923 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 26 15.255 1.983 0.361 0.373 0.920 0.520 CB 1.408 26 residues pruned to eliminate duplicates Z: 7 4.451 1.459 0.205 0.456 1.000 0.500 C 1.081 7 residues pruned to eliminate duplicates Z: 6 4.538 1.556 0.436 0.433 0.800 0.600 CB 1.217 6 residues pruned to eliminate duplicates Z: 13 6.820 2.041 0.542 0.314 0.667 0.583 CA 1.153 13 residues pruned to eliminate duplicates Z: 15 6.101 1.937 0.179 0.273 0.714 0.500 CB 1.293 15 residues pruned to eliminate duplicates Z: 18 8.365 2.020 0.367 0.308 0.765 0.412 CA 1.188 18 residues pruned to eliminate duplicates Z: 26 14.822 2.019 0.459 0.386 0.840 0.480 CA 1.352 26 residues pruned to eliminate duplicates Z: 28 16.486 2.040 0.447 0.386 0.852 0.444 CA 1.424 28 residues pruned to eliminate duplicates Z: 23 15.672 2.070 0.589 0.410 0.773 0.545 CA 1.445 23 residues pruned to eliminate duplicates Z: 30 15.175 2.022 0.378 0.413 0.828 0.552 CA 1.338 30 residues pruned to eliminate duplicates Z: 20 17.286 2.068 0.450 0.455 0.947 0.474 CA 1.462 20 residues pruned to eliminate duplicates Z: 15 8.330 2.009 0.522 0.303 0.786 0.500 CA 1.154 15 residues pruned to eliminate duplicates Z: 27 18.352 2.113 0.470 0.389 0.923 0.423 CA 1.412 28 residues pruned to eliminate duplicates Z: 7 3.274 1.480 0.632 0.392 0.667 0.333 CA 0.930 7 residues pruned to eliminate duplicates Z: 15 13.512 1.994 0.678 0.455 0.786 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 29 15.229 2.041 0.575 0.366 0.714 0.571 CB 1.448 29 residues pruned to eliminate duplicates Z: 15 14.338 2.098 0.448 0.459 0.929 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 17 10.760 1.906 0.375 0.399 0.750 0.562 CB 1.521 17 residues pruned to eliminate duplicates Z: 16 12.436 2.036 0.360 0.446 0.800 0.533 CB 1.532 16 residues pruned to eliminate duplicates Z: 13 14.044 2.120 0.551 0.468 0.833 0.417 CB 1.529 13 residues pruned to eliminate duplicates Z: 16 14.180 2.076 0.553 0.423 0.867 0.200 CB 1.420 16 residues pruned to eliminate duplicates Z: 22 14.099 2.026 0.477 0.391 0.810 0.333 CB 1.425 22 residues pruned to eliminate duplicates Z: 13 10.129 2.100 0.536 0.442 0.667 0.333 CB 1.444 13 residues pruned to eliminate duplicates Z: 12 13.791 2.087 0.622 0.412 0.909 0.636 CB 1.481 12 residues pruned to eliminate duplicates Z: 19 11.196 1.999 0.474 0.367 0.778 0.556 CB 1.327 19 residues pruned to eliminate duplicates Z: 24 12.052 1.987 0.550 0.298 0.696 0.435 CB 1.469 24 residues pruned to eliminate duplicates Z: 37 18.570 2.047 0.452 0.341 0.833 0.389 CA 1.485 36 residues pruned to eliminate duplicates Z: 6 4.274 1.645 0.675 0.406 0.800 0.600 C 0.957 6 residues pruned to eliminate duplicates Z: 20 15.724 2.063 0.281 0.649 0.842 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 23 16.880 1.973 0.307 0.622 0.955 0.727 CB 1.303 23 residues pruned to eliminate duplicates Z: 26 18.553 2.014 0.454 0.494 0.840 0.440 CB 1.517 26 residues pruned to eliminate duplicates Z: 58 30.352 2.056 0.590 0.485 0.842 0.456 CB 1.482 66 residues pruned to eliminate duplicates Z: 16 17.383 2.049 0.515 0.806 0.800 0.667 CB 1.383 16 residues pruned to eliminate duplicates Z: 30 19.555 1.887 0.491 0.524 0.828 0.552 CA 1.523 30 residues pruned to eliminate duplicates Z: 18 21.597 2.141 0.511 0.598 0.941 0.588 CB 1.567 18 residues pruned to eliminate duplicates Z: 54 29.275 2.083 0.475 0.475 0.849 0.547 CB 1.581 56 residues pruned to eliminate duplicates Z: 17 24.103 2.046 0.568 0.898 1.000 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 66 33.135 2.045 0.580 0.525 0.831 0.508 CB 1.495 63 residues pruned to eliminate duplicates Z: 14 24.732 2.241 0.489 0.897 1.000 0.538 CB 1.471 14 residues pruned to eliminate duplicates Z: 23 19.606 1.969 0.425 0.608 0.955 0.591 CB 1.408 23 residues pruned to eliminate duplicates Z: 19 17.734 2.086 0.608 0.573 0.833 0.556 CA 1.393 19 residues pruned to eliminate duplicates Z: 18 25.017 2.177 0.707 0.669 0.882 0.529 CB 1.583 18 residues pruned to eliminate duplicates Z: 22 26.993 2.101 0.547 0.708 0.952 0.619 CB 1.576 22 residues pruned to eliminate duplicates Z: 57 33.500 2.006 0.703 0.523 0.839 0.518 CB 1.526 57 residues pruned to eliminate duplicates Z: 27 24.640 2.055 0.425 0.635 0.923 0.654 CB 1.575 27 residues pruned to eliminate duplicates Z: 59 32.451 2.056 0.498 0.549 0.879 0.586 CB 1.500 59 residues pruned to eliminate duplicates Z: 26 26.022 2.052 0.642 0.616 0.880 0.600 CB 1.573 26 residues pruned to eliminate duplicates Z: 27 24.286 2.044 0.556 0.619 0.885 0.615 CB 1.513 27 residues pruned to eliminate duplicates Z: 58 34.346 2.059 0.602 0.510 0.895 0.491 CB 1.526 60 residues pruned to eliminate duplicates Z: 6 5.397 1.779 0.694 0.573 0.600 0.200 CA 1.244 6 residues pruned to eliminate duplicates Z: 55 25.169 2.060 0.489 0.449 0.759 0.463 CB 1.549 55 residues pruned to eliminate duplicates Z: 30 25.073 2.103 0.689 0.438 0.931 0.586 CB 1.501 30 residues pruned to eliminate duplicates Z: 30 23.214 2.123 0.706 0.448 0.931 0.552 CB 1.349 30 residues pruned to eliminate duplicates Z: 28 27.029 2.180 0.705 0.447 0.963 0.556 CB 1.535 27 residues pruned to eliminate duplicates Z: 6 3.300 1.803 0.537 0.180 0.600 0.400 N 1.306 6 residues pruned to eliminate duplicates Z: 38 26.469 2.055 0.613 0.491 0.919 0.459 CB 1.442 38 residues pruned to eliminate duplicates Z: 28 19.913 2.144 0.517 0.430 0.889 0.593 CB 1.425 28 residues pruned to eliminate duplicates Z: 31 19.697 2.056 0.569 0.376 0.933 0.467 CB 1.365 31 residues pruned to eliminate duplicates Z: 28 23.767 2.184 0.570 0.420 0.926 0.630 CB 1.565 29 residues pruned to eliminate duplicates Z: 7 4.526 1.600 0.674 0.515 0.833 0.167 CA 0.816 7 residues pruned to eliminate duplicates Z: 29 21.149 2.117 0.582 0.411 0.893 0.643 CB 1.467 29 residues pruned to eliminate duplicates Z: 28 22.569 2.219 0.517 0.407 0.926 0.556 CB 1.537 28 residues pruned to eliminate duplicates Z: 27 22.777 2.195 0.557 0.474 0.885 0.500 CB 1.518 27 residues pruned to eliminate duplicates Z: 30 21.929 2.161 0.613 0.394 0.897 0.586 CB 1.458 30 residues pruned to eliminate duplicates Z: 20 20.904 2.190 0.581 0.486 0.947 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 39 22.362 2.028 0.667 0.434 0.842 0.474 CB 1.364 38 residues pruned to eliminate duplicates Z: 7 4.746 1.637 0.949 0.302 0.667 0.167 N 1.135 7 residues pruned to eliminate duplicates Z: 22 23.415 2.188 0.771 0.455 0.857 0.476 CB 1.612 23 residues pruned to eliminate duplicates Z: 9 16.463 2.166 0.562 0.674 1.000 0.750 CB 1.465 9 residues pruned to eliminate duplicates Z: 9 12.454 2.060 0.369 0.619 0.875 0.375 CB 1.596 9 residues pruned to eliminate duplicates Z: 32 21.993 2.098 0.604 0.425 0.871 0.387 CB 1.458 32 residues pruned to eliminate duplicates Z: 27 22.948 2.217 0.637 0.358 0.885 0.500 CB 1.634 27 residues pruned to eliminate duplicates Z: 9 11.046 1.883 0.337 0.856 0.875 0.750 CA 1.308 9 residues pruned to eliminate duplicates Z: 29 26.116 2.156 0.781 0.378 0.929 0.536 CB 1.576 29 residues pruned to eliminate duplicates Z: 59 36.114 2.079 0.574 0.516 0.948 0.517 CB 1.505 57 residues pruned to eliminate duplicates Z: 6 2.418 1.468 0.400 0.400 1.000 0.600 CA 0.584 6 residues pruned to eliminate duplicates Z: 13 6.488 1.799 0.353 0.470 0.667 0.417 CB 1.191 8 residues pruned to eliminate duplicates 651 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 9 D: 6 E: 16 F: 17 G: 63 H: 10 I: 10 J: 34 K: 103 L: 33 M: 63 N: 69 O: 40 P: 10 Q: 51 R: 91 S: 11 CC for partial structure against native data = 24.15 % ------------------------------------------------------------------------------ Global autotracing cycle 31 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.396, Connect. = 0.687 for dens.mod. cycle 1 = 0.317, Contrast = 0.455, Connect. = 0.707 for dens.mod. cycle 2 = 0.318, Contrast = 0.554, Connect. = 0.752 for dens.mod. cycle 3 = 0.318, Contrast = 0.554, Connect. = 0.753 for dens.mod. cycle 4 = 0.318, Contrast = 0.568, Connect. = 0.757 for dens.mod. cycle 5 = 0.318, Contrast = 0.571, Connect. = 0.759 for dens.mod. cycle 6 = 0.318, Contrast = 0.578, Connect. = 0.762 for dens.mod. cycle 7 = 0.318, Contrast = 0.581, Connect. = 0.764 for dens.mod. cycle 8 = 0.318, Contrast = 0.584, Connect. = 0.766 for dens.mod. cycle 9 = 0.318, Contrast = 0.585, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.22 - 3.35 - 2.93 - 2.66 - 2.47 - 2.32 - 2.20 - 2.11 - 2.03 - 1.95 0.721 0.729 0.722 0.692 0.661 0.673 0.668 0.610 0.526 0.491 0.912 0.911 0.907 0.884 0.850 0.857 0.849 0.791 0.697 0.635 N 7099 7113 7067 7192 7066 7283 7367 6641 6937 7041 Estimated mean FOM = 0.650 Pseudo-free CC = 64.08 % Best trace (cycle 1 with CC 29.95%) was saved as ./2ii1-1.9-parrot-hancs/2ii1-1.9-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 52.1 - FFTs and peak-searches 216.4 - Sphere of influence 4.7 - Rest of density modification 0.0 - Alpha-helix search 21480.9 - Tripeptide search 85215.0 - Chain tracing 0.0 - NCS analysis 438.2 - B-value refinement for trace 1.0 - Rest of tracing TimeTaking 1822.5