null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:25:47 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: ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.ins Phases from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi Native data from ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.hkl Listing output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.lst Phases output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phs Poly-Ala trace output to ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.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 21 1 Allowed origin shift code: 2 58827 Reflections read from file ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.phi 58827 Reflections read from file ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.hkl 58827 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000114h^2 +0.000024k^2 -0.000104l^2 +0.000000kl +0.000087hl +0.000000hk 112 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 128 x 256 x 49 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.673 = 0.262, Contrast = 0.094, Connect. = 0.568 for dens.mod. cycle 1 = 0.275, Contrast = 0.220, Connect. = 0.579 for dens.mod. cycle 2 = 0.295, Contrast = 0.361, Connect. = 0.666 for dens.mod. cycle 3 = 0.300, Contrast = 0.431, Connect. = 0.697 for dens.mod. cycle 4 = 0.300, Contrast = 0.476, Connect. = 0.716 for dens.mod. cycle 5 = 0.300, Contrast = 0.509, Connect. = 0.730 for dens.mod. cycle 6 = 0.300, Contrast = 0.530, Connect. = 0.739 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.745 for dens.mod. cycle 8 = 0.300, Contrast = 0.553, Connect. = 0.749 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.753 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4372 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1198 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 12.916 1.835 0.710 0.824 0.900 0.800 CB 1.093 B: 33 22.567 1.788 0.683 0.553 0.906 0.625 CB 1.390 C: 17 12.937 1.744 0.646 0.561 0.938 0.688 CB 1.133 D: 16 19.159 1.910 1.002 0.790 0.933 0.467 CB 1.074 E: 18 14.501 1.878 0.543 0.727 0.941 0.647 CB 1.051 20 residues pruned to eliminate duplicates F: 52 24.971 1.732 0.645 0.517 0.922 0.627 CB 1.309 49 residues pruned to eliminate duplicates G: 48 29.682 1.777 0.799 0.621 0.915 0.617 CB 1.321 33 residues pruned to eliminate duplicates H: 11 11.240 1.798 0.519 0.813 0.900 0.800 CB 1.101 11 residues pruned to eliminate duplicates I: 14 18.709 1.765 0.885 0.908 0.923 0.769 CB 1.200 J: 14 18.311 1.789 0.527 0.921 0.923 0.846 CB 1.417 14 residues pruned to eliminate duplicates K: 9 7.670 1.686 0.513 0.545 0.875 0.500 CA 1.163 L: 8 9.767 1.831 0.544 0.473 1.000 0.571 CB 1.341 M: 6 8.171 1.700 0.608 0.871 0.800 0.600 CA 1.219 N: 7 12.621 1.687 1.112 0.889 1.000 0.833 CA 1.041 7 residues pruned to eliminate duplicates O: 6 6.917 1.375 0.494 0.800 1.000 0.600 CB 1.157 P: 17 18.263 1.681 0.760 0.872 0.938 0.688 CB 1.199 13 residues pruned to eliminate duplicates Q: 11 11.487 1.778 0.458 0.667 0.900 0.700 CA 1.335 9 residues pruned to eliminate duplicates R: 17 9.598 1.773 0.546 0.513 0.750 0.625 CB 1.152 17 residues pruned to eliminate duplicates S: 13 6.804 1.659 0.372 0.724 1.000 0.833 CB 0.705 T: 13 19.069 1.857 0.652 0.926 0.917 0.917 CB 1.373 13 residues pruned to eliminate duplicates U: 18 16.357 1.722 0.529 0.785 0.882 0.588 CB 1.328 V: 19 27.996 1.737 1.153 0.891 0.944 0.667 CB 1.343 W: 15 19.741 1.826 0.471 0.912 1.000 0.857 CB 1.391 15 residues pruned to eliminate duplicates X: 10 11.762 1.934 0.693 0.544 0.889 0.667 CB 1.291 4 residues pruned to eliminate duplicates Y: 7 7.100 1.689 0.456 0.483 0.833 0.500 CB 1.439 Z: 15 25.561 1.823 1.150 0.912 1.000 0.857 CB 1.235 Z: 10 9.626 1.701 0.534 0.808 1.000 0.667 CA 0.941 Z: 9 10.108 1.804 0.477 0.553 0.875 0.750 CA 1.456 9 residues pruned to eliminate duplicates Z: 18 29.172 1.751 0.994 0.916 1.000 0.941 CA 1.431 18 residues pruned to eliminate duplicates Z: 17 24.309 1.692 1.020 0.900 0.938 0.750 CA 1.355 17 residues pruned to eliminate duplicates Z: 6 10.246 1.528 0.777 0.815 1.000 1.000 N 1.283 6 residues pruned to eliminate duplicates Z: 16 27.494 1.802 1.015 0.933 1.000 0.867 CA 1.365 16 residues pruned to eliminate duplicates Z: 16 20.407 1.736 0.787 0.910 1.000 0.867 CB 1.204 16 residues pruned to eliminate duplicates Z: 9 10.383 1.769 0.792 0.534 0.875 0.750 CA 1.280 8 residues pruned to eliminate duplicates Z: 18 20.237 1.780 0.539 0.797 1.000 0.824 CA 1.382 18 residues pruned to eliminate duplicates Z: 7 5.552 1.519 0.737 0.746 0.833 0.667 CB 0.828 7 residues pruned to eliminate duplicates Z: 16 21.493 1.755 0.924 0.931 1.000 0.867 CA 1.148 16 residues pruned to eliminate duplicates Z: 14 17.217 1.750 0.653 0.908 1.000 0.923 CB 1.172 Z: 10 8.303 1.645 0.624 0.814 0.778 0.444 CB 1.014 Z: 12 10.992 1.662 0.612 0.845 0.909 0.818 CB 1.012 12 residues pruned to eliminate duplicates Z: 15 22.846 1.786 0.902 0.908 1.000 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 27 20.465 1.717 0.608 0.732 0.962 0.692 CB 1.227 Z: 16 19.937 1.786 0.647 0.919 0.933 0.867 CB 1.322 16 residues pruned to eliminate duplicates Z: 22 21.173 1.643 0.634 0.912 1.000 0.714 CA 1.219 18 residues pruned to eliminate duplicates Z: 13 13.925 1.717 0.554 0.885 0.917 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 10 10.942 1.742 0.608 0.896 1.000 0.778 CB 0.933 Z: 8 5.782 1.630 0.661 0.436 0.857 0.571 CB 1.006 Z: 13 15.958 1.746 0.614 0.897 1.000 0.917 CB 1.170 13 residues pruned to eliminate duplicates Z: 16 21.134 1.678 0.788 0.898 1.000 0.800 CB 1.302 Z: 17 26.788 1.721 0.799 0.935 1.000 1.000 CA 1.507 17 residues pruned to eliminate duplicates Z: 8 8.713 1.593 1.000 0.836 0.714 0.571 CA 1.084 8 residues pruned to eliminate duplicates Z: 12 4.742 1.532 0.190 0.381 0.818 0.455 CB 1.088 Z: 15 20.848 1.863 0.842 0.828 0.929 0.500 CB 1.316 13 residues pruned to eliminate duplicates Z: 13 11.777 1.574 0.570 0.902 1.000 0.417 CB 0.982 Z: 16 22.289 1.727 0.934 0.921 1.000 0.800 CA 1.212 16 residues pruned to eliminate duplicates Z: 39 18.520 1.737 0.563 0.506 0.895 0.605 CA 1.229 40 residues pruned to eliminate duplicates Z: 8 13.010 1.690 0.625 0.871 1.000 0.857 CB 1.306 Z: 15 13.175 1.688 0.530 0.750 0.929 0.714 CB 1.175 15 residues pruned to eliminate duplicates Z: 10 4.256 1.618 0.161 0.385 0.778 0.556 CB 1.098 Z: 8 3.697 1.683 0.380 0.426 0.571 0.429 N 1.137 Z: 18 18.493 1.766 0.786 0.784 0.941 0.765 CB 1.177 18 residues pruned to eliminate duplicates Z: 18 16.818 1.790 0.454 0.840 0.882 0.765 CB 1.326 18 residues pruned to eliminate duplicates Z: 14 9.552 1.749 0.288 0.476 0.923 0.462 CB 1.306 Z: 18 21.919 1.745 0.600 0.921 1.000 0.941 CA 1.340 18 residues pruned to eliminate duplicates Z: 16 14.498 1.664 0.490 0.887 0.933 0.733 CB 1.166 Z: 15 20.367 1.734 0.861 0.929 0.929 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 23 13.236 1.847 0.589 0.494 0.818 0.636 CB 1.182 6 residues pruned to eliminate duplicates Z: 16 16.211 1.622 0.637 0.919 1.000 0.933 CB 1.112 16 residues pruned to eliminate duplicates Z: 10 9.270 1.816 0.591 0.836 0.889 0.778 CB 0.901 Z: 14 16.940 1.784 0.610 0.908 1.000 0.923 CA 1.162 14 residues pruned to eliminate duplicates Z: 7 3.981 1.347 0.334 0.742 0.667 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 12 9.578 1.781 0.491 0.733 0.909 0.455 CB 0.971 12 residues pruned to eliminate duplicates Z: 14 11.245 1.599 0.406 0.887 1.000 0.846 CB 1.000 14 residues pruned to eliminate duplicates Z: 9 13.066 1.779 1.084 0.905 1.000 0.875 CB 0.887 Z: 13 21.186 1.825 0.855 0.934 1.000 0.917 CB 1.260 13 residues pruned to eliminate duplicates Z: 15 10.491 1.780 0.544 0.413 0.857 0.429 CB 1.304 19 residues pruned to eliminate duplicates Z: 16 15.838 1.745 0.402 0.929 1.000 0.933 CB 1.170 16 residues pruned to eliminate duplicates Z: 19 19.507 1.567 0.676 0.883 1.000 0.833 CB 1.266 19 residues pruned to eliminate duplicates Z: 14 16.049 1.884 0.733 0.871 0.846 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 14 22.323 1.773 0.919 0.938 1.000 0.923 CB 1.265 14 residues pruned to eliminate duplicates Z: 17 23.950 1.732 0.857 0.912 1.000 0.938 CA 1.318 18 residues pruned to eliminate duplicates Z: 10 6.828 1.788 0.176 0.821 0.889 0.667 CA 0.922 10 residues pruned to eliminate duplicates Z: 15 16.001 1.661 0.698 0.770 0.929 0.714 CB 1.286 Z: 16 16.877 1.702 0.537 0.870 0.933 0.533 CB 1.302 16 residues pruned to eliminate duplicates Z: 63 21.036 1.743 0.609 0.431 0.839 0.516 CB 1.220 58 residues pruned to eliminate duplicates Z: 13 7.345 1.519 0.523 0.372 0.833 0.750 CA 1.261 Z: 18 10.493 1.608 0.569 0.509 0.765 0.588 N 1.307 16 residues pruned to eliminate duplicates Z: 14 17.880 1.783 0.544 0.894 1.000 0.846 CA 1.292 14 residues pruned to eliminate duplicates Z: 10 3.658 1.587 0.134 0.255 1.000 0.556 CB 0.898 Z: 7 5.310 1.201 0.990 0.813 0.667 0.500 N 1.037 Z: 16 15.695 1.876 0.736 0.820 0.867 0.667 CB 1.088 16 residues pruned to eliminate duplicates Z: 17 18.239 1.735 0.618 0.826 0.938 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 12 14.868 1.626 0.622 0.818 1.000 0.818 CB 1.289 10 residues pruned to eliminate duplicates Z: 12 10.266 1.594 0.765 0.800 0.909 0.545 CB 0.930 12 residues pruned to eliminate duplicates Z: 7 7.361 1.540 0.647 0.857 0.833 0.667 CA 1.048 7 residues pruned to eliminate duplicates Z: 19 19.325 1.545 0.751 0.889 0.944 0.722 CB 1.283 17 residues pruned to eliminate duplicates Z: 16 21.594 1.699 0.735 0.911 1.000 0.733 CA 1.341 16 residues pruned to eliminate duplicates Z: 13 17.541 1.732 0.561 0.899 1.000 0.833 CB 1.338 13 residues pruned to eliminate duplicates Z: 6 6.668 1.661 0.531 0.627 1.000 0.800 CB 1.040 Z: 15 23.828 1.851 0.976 0.925 1.000 0.714 CA 1.222 15 residues pruned to eliminate duplicates Z: 8 14.624 1.972 0.508 0.875 1.000 0.857 CA 1.352 9 residues pruned to eliminate duplicates Z: 26 17.618 1.772 0.787 0.598 0.840 0.680 CB 1.206 27 residues pruned to eliminate duplicates Z: 18 9.511 1.720 0.384 0.330 0.941 0.412 CB 1.240 14 residues pruned to eliminate duplicates Z: 8 8.617 1.648 0.876 0.701 0.714 0.571 CB 1.228 8 residues pruned to eliminate duplicates Z: 13 7.514 1.586 0.490 0.323 0.917 0.500 CA 1.216 Z: 14 7.806 1.668 0.453 0.569 0.846 0.538 CB 0.987 11 residues pruned to eliminate duplicates Z: 18 17.131 1.557 0.861 0.890 0.941 0.588 CB 1.096 18 residues pruned to eliminate duplicates Z: 15 19.522 1.737 0.610 0.865 1.000 0.714 CB 1.367 14 residues pruned to eliminate duplicates Z: 6 3.006 1.440 0.662 0.341 0.600 0.400 CB 1.112 Z: 11 10.906 1.681 0.427 0.756 0.900 0.500 CB 1.271 11 residues pruned to eliminate duplicates Z: 9 8.013 1.596 0.659 0.315 1.000 0.625 N 1.313 Z: 7 9.280 1.652 0.673 0.821 0.833 0.500 N 1.245 7 residues pruned to eliminate duplicates Z: 7 3.494 1.432 0.285 0.355 0.833 0.667 N 1.088 Z: 16 10.307 1.572 0.226 0.782 0.933 0.800 CB 1.155 13 residues pruned to eliminate duplicates Z: 13 14.736 1.679 0.902 0.778 0.917 0.583 CB 1.137 10 residues pruned to eliminate duplicates Z: 8 9.286 1.621 0.547 0.836 1.000 0.857 CB 1.048 8 residues pruned to eliminate duplicates Z: 6 4.904 1.676 0.239 0.507 0.800 0.600 CB 1.311 Z: 17 28.964 1.751 1.014 0.914 1.000 0.938 CA 1.452 17 residues pruned to eliminate duplicates Z: 9 11.752 1.702 0.712 0.712 0.875 0.625 CB 1.344 8 residues pruned to eliminate duplicates Z: 12 21.895 1.787 0.970 0.931 1.000 1.000 CB 1.310 18 residues pruned to eliminate duplicates Z: 13 14.078 1.713 0.613 0.888 1.000 0.833 CB 1.060 11 residues pruned to eliminate duplicates Z: 17 16.665 1.659 0.645 0.818 1.000 0.750 CB 1.159 15 residues pruned to eliminate duplicates Z: 15 16.853 1.715 0.568 0.895 1.000 0.500 CB 1.201 15 residues pruned to eliminate duplicates Z: 10 13.990 1.613 0.628 0.861 1.000 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 17 19.552 1.756 0.781 0.840 0.938 0.625 CA 1.244 17 residues pruned to eliminate duplicates Z: 15 24.740 1.860 1.012 0.918 1.000 0.643 CA 1.246 15 residues pruned to eliminate duplicates Z: 13 14.983 1.669 0.777 0.756 0.833 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 8 7.971 1.849 0.323 0.770 1.000 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 19 21.756 1.599 1.084 0.883 1.000 0.611 CA 1.113 19 residues pruned to eliminate duplicates Z: 19 22.479 1.698 0.718 0.928 1.000 0.944 CA 1.272 19 residues pruned to eliminate duplicates 8 1.568 1.491 0.095 0.391 0.571 0.429 CB 0.713 ? Z: 8 7.765 1.550 0.655 0.713 0.857 0.714 CA 1.100 10 residues pruned to eliminate duplicates Z: 15 17.309 1.814 0.537 0.913 1.000 0.929 CA 1.174 15 residues pruned to eliminate duplicates Z: 7 9.447 1.575 1.057 0.809 0.833 0.667 CA 1.092 7 residues pruned to eliminate duplicates Z: 8 11.312 1.619 0.631 0.897 1.000 0.857 CA 1.159 8 residues pruned to eliminate duplicates Z: 7 10.422 1.722 0.576 0.680 1.000 0.667 CB 1.329 Z: 15 11.507 1.574 0.589 0.833 0.857 0.643 CB 1.077 15 residues pruned to eliminate duplicates Z: 12 6.275 1.565 0.722 0.373 0.909 0.545 CB 0.884 Z: 16 18.699 1.715 1.009 0.902 1.000 0.667 CB 1.000 16 residues pruned to eliminate duplicates Z: 15 17.168 1.654 0.580 0.913 1.000 0.929 CB 1.242 15 residues pruned to eliminate duplicates Z: 10 10.743 1.741 0.651 0.890 1.000 1.000 CB 0.896 11 residues pruned to eliminate duplicates Z: 12 6.218 1.662 0.478 0.513 1.000 0.636 CB 0.753 Z: 18 20.442 1.690 0.606 0.934 1.000 0.765 CA 1.273 18 residues pruned to eliminate duplicates Z: 14 10.562 1.773 0.517 0.445 0.923 0.538 CB 1.249 14 residues pruned to eliminate duplicates Z: 15 18.875 1.706 0.587 0.910 1.000 0.786 CB 1.321 16 residues pruned to eliminate duplicates Z: 12 19.658 1.792 0.883 0.932 1.000 0.818 CA 1.226 12 residues pruned to eliminate duplicates Z: 14 14.466 1.753 0.747 0.884 0.923 0.692 CB 1.025 14 residues pruned to eliminate duplicates Z: 17 22.139 1.677 0.700 0.880 1.000 0.812 CB 1.407 17 residues pruned to eliminate duplicates Z: 6 4.744 1.591 0.322 0.600 0.800 0.600 CA 1.147 Z: 16 18.847 1.683 0.637 0.861 0.933 0.733 CB 1.391 15 residues pruned to eliminate duplicates Z: 12 9.555 1.532 0.651 0.714 0.818 0.727 CB 1.147 8 residues pruned to eliminate duplicates Z: 13 7.316 1.658 0.245 0.443 0.833 0.417 N 1.301 12 residues pruned to eliminate duplicates Z: 6 2.316 1.610 0.112 0.366 0.800 0.600 CB 0.835 6 residues pruned to eliminate duplicates Z: 16 18.371 1.704 0.607 0.923 1.000 0.933 CB 1.217 17 residues pruned to eliminate duplicates Z: 12 12.021 1.722 0.856 0.844 1.000 0.818 CB 0.843 10 residues pruned to eliminate duplicates Z: 15 19.805 1.762 0.864 0.862 1.000 0.714 CB 1.184 14 residues pruned to eliminate duplicates Z: 15 21.052 1.788 0.924 0.890 1.000 0.714 CB 1.176 15 residues pruned to eliminate duplicates Z: 8 3.574 1.559 0.363 0.214 0.714 0.429 CB 1.247 Z: 7 7.281 1.619 0.358 0.805 0.833 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 19 13.586 1.600 0.621 0.814 0.889 0.722 CB 1.058 16 residues pruned to eliminate duplicates Z: 19 30.851 1.717 1.106 0.940 1.000 0.667 CA 1.397 19 residues pruned to eliminate duplicates Z: 7 4.990 1.593 0.406 0.527 0.833 0.833 CB 1.062 Z: 7 6.650 1.391 0.876 0.735 1.000 0.667 N 0.842 Z: 16 22.022 1.671 1.025 0.915 0.933 0.733 CA 1.273 16 residues pruned to eliminate duplicates Z: 11 13.213 1.723 0.665 0.858 0.900 0.900 CA 1.191 11 residues pruned to eliminate duplicates Z: 15 17.002 1.685 0.761 0.847 1.000 0.714 CB 1.137 15 residues pruned to eliminate duplicates Z: 6 4.863 1.678 0.340 0.724 0.800 0.600 CB 0.988 Z: 12 14.888 1.654 0.813 0.829 1.000 0.727 CA 1.126 10 residues pruned to eliminate duplicates Z: 10 10.794 1.728 0.612 0.725 0.889 0.667 CA 1.186 10 residues pruned to eliminate duplicates Z: 16 13.349 1.679 0.945 0.769 0.867 0.533 CB 0.959 16 residues pruned to eliminate duplicates Z: 11 13.870 1.873 0.558 0.798 1.000 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 6 4.744 1.605 0.479 0.417 0.800 0.400 CB 1.219 Z: 22 20.395 1.720 0.824 0.771 0.905 0.667 CB 1.234 24 residues pruned to eliminate duplicates Z: 7 3.069 1.498 0.127 0.395 1.000 0.667 CB 0.829 Z: 16 21.996 1.748 0.925 0.919 1.000 1.000 CA 1.189 16 residues pruned to eliminate duplicates Z: 8 13.833 1.703 0.788 0.836 1.000 0.857 CA 1.286 7 residues pruned to eliminate duplicates Z: 11 9.887 1.737 0.656 0.590 0.800 0.800 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 17.722 1.790 0.979 0.635 1.000 0.600 CB 1.139 16 residues pruned to eliminate duplicates Z: 16 18.521 1.734 0.670 0.927 1.000 0.933 CA 1.157 16 residues pruned to eliminate duplicates Z: 33 17.934 1.804 0.566 0.573 0.938 0.625 CB 1.115 33 residues pruned to eliminate duplicates Z: 12 3.223 1.444 0.502 0.277 0.909 0.455 CB 0.634 Z: 14 17.416 1.634 0.573 0.884 1.000 0.769 CB 1.358 13 residues pruned to eliminate duplicates Z: 9 2.766 1.176 0.555 0.340 0.625 0.375 N 1.019 Z: 14 7.649 1.590 0.374 0.513 0.846 0.538 CB 1.133 Z: 18 21.748 1.779 0.962 0.787 0.941 0.765 CB 1.247 20 residues pruned to eliminate duplicates Z: 16 13.162 1.881 0.503 0.454 0.933 0.533 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 10.749 1.829 0.589 0.502 1.000 0.889 CB 1.230 11 residues pruned to eliminate duplicates Z: 12 8.207 1.588 0.559 0.553 0.818 0.636 CB 1.160 Z: 15 18.950 1.834 0.605 0.894 1.000 0.786 CA 1.234 15 residues pruned to eliminate duplicates Z: 17 10.013 1.641 0.786 0.641 0.812 0.312 CB 0.922 17 residues pruned to eliminate duplicates Z: 10 6.655 1.915 0.089 0.416 1.000 0.778 CB 1.162 10 residues pruned to eliminate duplicates Z: 16 14.307 1.654 0.741 0.856 1.000 0.667 CB 0.946 16 residues pruned to eliminate duplicates Z: 9 4.521 1.265 0.289 0.492 0.875 0.500 O 1.129 Z: 9 10.713 1.665 0.956 0.901 0.875 0.875 CB 0.949 11 residues pruned to eliminate duplicates Z: 16 12.329 1.564 0.394 0.898 1.000 0.867 CB 1.045 15 residues pruned to eliminate duplicates Z: 6 2.871 1.570 0.744 0.738 1.000 0.800 CB 0.379 Z: 7 2.590 1.347 0.017 0.502 0.833 0.500 CB 0.924 Z: 8 3.424 1.318 -0.102 0.832 1.000 0.571 CB 0.821 Z: 17 17.152 1.636 0.694 0.882 1.000 0.938 CA 1.120 17 residues pruned to eliminate duplicates Z: 19 13.276 1.870 0.594 0.495 0.833 0.667 CB 1.265 19 residues pruned to eliminate duplicates Z: 7 6.649 1.512 0.750 0.894 1.000 0.667 CB 0.736 Z: 18 20.771 1.589 0.783 0.894 1.000 0.765 CB 1.276 18 residues pruned to eliminate duplicates Z: 7 4.023 1.444 0.327 0.364 0.833 0.500 CA 1.190 Z: 7 2.625 1.615 0.184 0.404 0.833 0.500 CB 0.744 5 residues pruned to eliminate duplicates Z: 6 2.760 1.344 0.361 0.565 0.800 0.800 N 0.791 Z: 11 10.650 1.616 0.443 0.890 1.000 0.700 CB 1.039 Z: 14 15.521 1.755 0.457 0.897 1.000 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 12 11.467 1.754 0.685 0.522 1.000 0.727 CB 1.145 11 residues pruned to eliminate duplicates Z: 8 4.935 1.608 0.115 0.360 1.000 0.429 CB 1.209 Z: 8 6.584 1.775 0.452 0.355 0.857 0.571 CB 1.317 Z: 11 8.858 1.732 0.552 0.759 0.900 0.700 CB 0.919 11 residues pruned to eliminate duplicates Z: 18 23.304 1.795 0.883 0.801 1.000 0.647 CB 1.285 18 residues pruned to eliminate duplicates Z: 12 12.056 1.753 0.748 0.777 1.000 0.636 CB 0.929 12 residues pruned to eliminate duplicates Z: 22 11.490 1.790 0.517 0.517 0.905 0.571 CB 1.003 24 residues pruned to eliminate duplicates Z: 17 18.835 1.634 0.609 0.893 1.000 0.812 CB 1.286 17 residues pruned to eliminate duplicates Z: 16 4.981 1.670 0.493 0.260 0.733 0.400 CB 0.925 3 residues pruned to eliminate duplicates Z: 12 14.551 1.615 1.076 0.779 1.000 0.727 CB 1.023 11 residues pruned to eliminate duplicates Z: 6 6.969 1.739 0.408 0.627 1.000 0.400 CB 1.130 7 residues pruned to eliminate duplicates Z: 8 4.422 1.439 0.628 0.347 0.714 0.286 N 1.179 Z: 29 17.885 1.835 0.482 0.489 0.929 0.643 CB 1.354 24 residues pruned to eliminate duplicates Z: 7 7.190 1.535 0.557 0.628 1.000 0.833 CB 1.089 7 residues pruned to eliminate duplicates Z: 6 7.086 1.426 0.541 0.837 1.000 0.800 CA 1.079 6 residues pruned to eliminate duplicates Z: 7 4.613 1.371 0.368 0.839 0.833 0.833 CA 0.900 Z: 6 3.805 1.538 0.329 0.300 0.800 0.600 CB 1.301 Z: 11 3.652 1.455 0.474 0.326 0.600 0.400 CB 1.086 Z: 17 9.681 1.562 0.680 0.794 0.875 0.688 CB 0.815 17 residues pruned to eliminate duplicates Z: 6 4.467 1.438 0.467 0.636 0.800 0.800 O 1.041 Z: 8 4.212 1.479 0.760 0.317 0.714 0.571 CB 1.048 Z: 7 4.768 1.725 0.876 0.383 0.833 0.333 CB 0.817 4 residues pruned to eliminate duplicates Z: 10 8.280 1.614 0.659 0.878 0.889 0.667 CB 0.841 Z: 11 10.684 1.696 0.685 0.596 1.000 0.800 CA 1.079 Z: 7 9.926 1.479 0.603 0.826 1.000 0.667 CB 1.289 Z: 8 3.658 1.586 0.717 0.214 0.857 0.714 CB 0.829 Z: 13 4.893 1.691 0.757 0.251 0.750 0.333 CB 0.844 Z: 6 3.429 1.177 0.746 0.626 0.800 0.400 N 0.828 6 1.062 1.548 0.446 0.670 0.800 0.600 CB 0.227 ? Z: 16 19.715 1.676 0.656 0.896 0.933 0.867 CA 1.406 16 residues pruned to eliminate duplicates Z: 24 14.266 1.580 0.831 0.557 0.783 0.522 CB 1.242 41 residues pruned to eliminate duplicates Z: 6 7.729 1.725 0.486 0.850 0.800 0.800 CA 1.249 6 residues pruned to eliminate duplicates Z: 15 25.928 1.784 1.145 0.897 1.000 0.929 CA 1.296 15 residues pruned to eliminate duplicates Z: 12 9.654 1.554 0.415 0.870 1.000 0.909 CB 0.967 12 residues pruned to eliminate duplicates Z: 13 11.301 1.749 0.248 0.925 1.000 0.917 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 10.454 1.617 0.541 0.854 1.000 0.900 CB 0.979 10 residues pruned to eliminate duplicates Z: 21 14.524 1.741 0.780 0.556 0.900 0.750 CB 1.103 Z: 14 11.265 1.655 0.478 0.793 1.000 0.769 CA 0.988 14 residues pruned to eliminate duplicates Z: 7 11.680 1.683 0.694 0.805 1.000 0.500 CB 1.282 7 residues pruned to eliminate duplicates Z: 6 4.324 1.568 0.662 0.220 1.000 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 7 5.883 1.444 0.878 0.644 0.667 0.500 CA 1.161 7 residues pruned to eliminate duplicates Z: 9 3.812 1.472 0.181 0.447 0.875 0.375 CB 0.936 Z: 8 7.025 1.700 0.534 0.776 1.000 0.714 CB 0.798 8 residues pruned to eliminate duplicates Z: 9 10.157 1.817 0.624 0.858 0.750 0.250 CB 1.195 9 residues pruned to eliminate duplicates Z: 15 6.761 1.718 0.546 0.341 0.714 0.357 CB 1.133 15 residues pruned to eliminate duplicates Z: 10 7.059 1.636 0.739 0.315 0.778 0.333 CB 1.305 Z: 24 17.544 1.611 0.631 0.740 0.913 0.826 CB 1.230 22 residues pruned to eliminate duplicates Z: 16 15.637 1.622 0.849 0.772 0.933 0.667 CB 1.134 16 residues pruned to eliminate duplicates Z: 8 5.368 1.661 0.108 0.487 1.000 0.429 CB 1.117 8 residues pruned to eliminate duplicates Z: 14 18.401 1.722 0.649 0.861 1.000 0.923 CB 1.321 14 residues pruned to eliminate duplicates Z: 31 18.145 1.728 0.671 0.592 0.967 0.700 CB 1.087 16 residues pruned to eliminate duplicates Z: 15 13.923 1.826 0.683 0.834 0.929 0.857 CB 0.977 15 residues pruned to eliminate duplicates Z: 18 11.089 1.781 0.669 0.456 0.941 0.529 CB 1.006 18 residues pruned to eliminate duplicates Z: 16 10.288 1.608 0.460 0.410 0.933 0.600 CB 1.332 Z: 9 2.947 1.209 0.259 0.496 0.750 0.500 N 0.916 Z: 9 11.663 1.756 0.850 0.635 0.875 0.750 CA 1.279 9 residues pruned to eliminate duplicates Z: 7 6.412 1.238 0.891 0.686 1.000 0.667 N 0.943 Z: 12 3.871 1.565 0.655 0.387 0.818 0.455 CB 0.621 Z: 14 9.779 1.672 0.647 0.492 0.923 0.692 CB 1.075 11 residues pruned to eliminate duplicates Z: 10 6.865 1.546 0.870 0.479 0.778 0.667 CB 1.040 Z: 10 8.790 1.693 0.694 0.763 1.000 0.444 CB 0.809 9 residues pruned to eliminate duplicates Z: 10 12.752 1.779 0.778 0.662 1.000 0.778 CB 1.156 10 residues pruned to eliminate duplicates Z: 8 3.356 1.701 0.014 0.232 0.857 0.286 CB 1.173 7 residues pruned to eliminate duplicates Z: 9 5.669 1.583 0.277 0.484 0.750 0.250 O 1.343 9 residues pruned to eliminate duplicates Z: 8 4.844 1.334 0.508 0.524 0.857 0.714 CA 1.037 Z: 21 14.752 1.720 0.651 0.403 0.900 0.800 CA 1.429 38 residues pruned to eliminate duplicates Z: 13 5.780 1.559 0.621 0.263 0.833 0.500 CB 1.039 10 residues pruned to eliminate duplicates Z: 21 9.236 1.774 0.679 0.293 0.700 0.500 CB 1.249 21 residues pruned to eliminate duplicates Z: 7 2.075 1.377 -0.052 0.377 1.000 0.667 N 0.740 Z: 13 16.422 1.719 0.998 0.867 0.917 0.500 CB 1.101 13 residues pruned to eliminate duplicates Z: 14 13.362 1.700 0.472 0.875 0.923 0.769 CB 1.167 14 residues pruned to eliminate duplicates Z: 8 3.804 1.384 0.624 0.335 0.857 0.429 CB 0.894 11 residues pruned to eliminate duplicates Z: 12 5.197 1.540 0.279 0.281 0.909 0.545 CB 1.121 8 residues pruned to eliminate duplicates Z: 7 8.541 1.432 0.960 0.738 0.833 0.667 CA 1.205 8 residues pruned to eliminate duplicates Z: 17 18.258 1.703 0.486 0.934 1.000 0.875 CA 1.258 17 residues pruned to eliminate duplicates Z: 18 13.304 1.639 0.896 0.545 0.882 0.706 CB 1.126 30 residues pruned to eliminate duplicates Z: 18 17.271 1.584 0.534 0.917 1.000 0.941 CB 1.217 18 residues pruned to eliminate duplicates Z: 9 5.283 1.379 0.408 0.391 1.000 0.375 CB 1.080 Z: 9 3.405 1.659 0.509 0.283 0.625 0.375 CB 0.983 9 residues pruned to eliminate duplicates Z: 13 16.802 1.821 0.472 0.894 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 15 19.282 1.759 0.880 0.876 0.857 0.643 CB 1.322 16 residues pruned to eliminate duplicates Z: 26 11.794 1.612 0.529 0.399 0.920 0.520 CB 1.157 21 residues pruned to eliminate duplicates Z: 21 10.774 1.655 0.360 0.559 0.950 0.650 CB 1.064 21 residues pruned to eliminate duplicates Z: 8 5.995 1.545 0.017 0.742 1.000 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 9 5.048 1.564 0.730 0.406 0.750 0.625 CB 0.971 9 residues pruned to eliminate duplicates Z: 14 20.995 1.801 0.801 0.903 1.000 0.846 CB 1.279 14 residues pruned to eliminate duplicates Z: 9 2.927 1.417 0.129 0.399 0.750 0.500 CB 0.959 9 residues pruned to eliminate duplicates Z: 9 10.581 1.868 0.726 0.847 1.000 0.875 CB 0.862 9 residues pruned to eliminate duplicates Z: 6 7.218 1.591 1.088 0.684 0.800 0.800 CB 1.026 Z: 30 16.462 1.816 0.852 0.473 0.931 0.586 CB 1.004 30 residues pruned to eliminate duplicates Z: 7 3.121 1.503 0.122 0.692 1.000 0.833 CB 0.634 Z: 6 2.270 1.486 0.096 0.412 1.000 0.400 CB 0.683 Z: 10 6.371 1.414 0.384 0.738 1.000 0.667 CB 0.877 10 residues pruned to eliminate duplicates Z: 6 2.388 1.406 -0.099 0.643 0.800 0.600 CB 0.922 Z: 14 24.728 1.749 1.058 0.945 1.000 0.923 CB 1.318 15 residues pruned to eliminate duplicates Z: 7 5.908 1.600 0.109 0.614 1.000 0.833 CB 1.219 9 residues pruned to eliminate duplicates Z: 13 8.494 1.592 0.445 0.407 0.917 0.667 CA 1.282 14 residues pruned to eliminate duplicates Z: 8 5.356 1.511 0.702 0.524 0.714 0.286 CB 1.076 Z: 6 2.028 1.412 0.081 0.298 1.000 0.600 CB 0.745 Z: 6 3.984 1.328 0.365 0.768 1.000 0.800 CB 0.775 Z: 12 5.919 1.637 0.260 0.549 0.818 0.455 CB 1.008 12 residues pruned to eliminate duplicates Z: 7 6.856 1.536 0.672 0.696 1.000 0.833 CB 0.911 Z: 11 10.463 1.735 0.591 0.802 0.900 0.400 CB 1.023 11 residues pruned to eliminate duplicates Z: 10 8.916 1.792 0.493 0.439 0.889 0.667 CA 1.331 10 residues pruned to eliminate duplicates Z: 8 5.857 1.466 0.621 0.795 0.857 0.714 CB 0.839 8 residues pruned to eliminate duplicates Z: 8 5.341 1.361 0.268 0.880 1.000 0.857 CB 0.848 8 residues pruned to eliminate duplicates Z: 7 9.634 1.754 0.247 0.889 1.000 1.000 CA 1.294 7 residues pruned to eliminate duplicates Z: 8 4.902 1.472 -0.027 0.757 1.000 0.571 CB 1.030 8 residues pruned to eliminate duplicates Z: 12 11.025 1.650 0.711 0.848 0.818 0.273 CB 1.068 12 residues pruned to eliminate duplicates Z: 21 21.428 1.701 0.664 0.803 1.000 0.600 CA 1.299 24 residues pruned to eliminate duplicates Z: 13 8.795 1.625 0.747 0.447 0.750 0.500 CB 1.259 13 residues pruned to eliminate duplicates Z: 9 7.181 1.588 0.646 0.519 0.875 0.750 CB 1.090 7 1.778 1.329 0.034 0.386 0.667 0.333 CB 0.895 ? Z: 6 8.752 1.595 0.848 0.827 1.000 0.600 CA 1.001 6 residues pruned to eliminate duplicates Z: 7 4.739 1.364 0.347 0.719 1.000 0.667 CB 0.864 Z: 14 11.872 1.773 0.730 0.529 0.923 0.769 CB 1.130 14 residues pruned to eliminate duplicates Z: 18 12.405 1.736 0.345 0.746 0.941 0.765 CA 1.099 18 residues pruned to eliminate duplicates Z: 6 6.975 1.618 1.110 0.836 0.800 0.800 CB 0.855 Z: 6 4.379 1.477 0.806 0.297 1.000 0.800 CB 0.921 Z: 11 5.851 1.480 0.784 0.488 0.900 0.300 CB 0.788 11 residues pruned to eliminate duplicates Z: 12 2.495 1.401 -0.029 0.231 0.636 0.364 N 1.188 Z: 12 10.041 1.665 0.749 0.413 1.000 0.545 CB 1.138 Z: 17 16.475 1.656 0.367 0.918 1.000 0.812 CA 1.283 16 residues pruned to eliminate duplicates Z: 17 20.601 1.650 0.737 0.919 1.000 0.875 CB 1.267 17 residues pruned to eliminate duplicates Z: 17 8.403 1.552 0.332 0.402 0.938 0.688 CB 1.201 15 residues pruned to eliminate duplicates Z: 15 12.533 1.585 0.385 0.897 0.929 0.714 CB 1.176 15 residues pruned to eliminate duplicates Z: 11 8.296 1.709 0.425 0.493 1.000 0.500 CB 1.085 11 residues pruned to eliminate duplicates Z: 13 2.435 1.423 0.303 0.246 0.750 0.333 CB 0.677 Z: 18 25.194 1.715 0.931 0.902 1.000 0.824 CA 1.316 17 residues pruned to eliminate duplicates Z: 9 8.796 1.476 0.668 0.852 1.000 0.500 CB 0.934 Z: 18 21.781 1.628 1.180 0.894 0.941 0.588 CB 1.135 18 residues pruned to eliminate duplicates Z: 11 5.045 1.347 0.267 0.516 0.900 0.600 CB 1.022 9 residues pruned to eliminate duplicates Z: 8 3.238 1.501 0.100 0.336 0.714 0.429 CB 1.242 Z: 10 6.300 1.451 0.372 0.445 1.000 0.556 CB 1.117 10 residues pruned to eliminate duplicates Z: 16 17.174 1.593 0.738 0.903 1.000 1.000 CB 1.142 16 residues pruned to eliminate duplicates Z: 10 8.089 1.527 0.584 0.526 0.889 0.778 CA 1.222 10 residues pruned to eliminate duplicates Z: 10 3.974 1.624 0.836 0.284 0.667 0.444 CB 0.850 Z: 24 10.510 1.792 0.564 0.366 0.696 0.478 CB 1.298 24 residues pruned to eliminate duplicates Z: 12 9.932 1.583 0.287 0.906 0.909 0.909 CB 1.150 12 residues pruned to eliminate duplicates 6 1.834 1.511 0.219 0.687 0.800 0.600 CB 0.469 ? Z: 12 13.171 1.741 0.505 0.920 0.909 0.818 CB 1.173 12 residues pruned to eliminate duplicates Z: 15 5.438 1.712 0.205 0.292 0.857 0.429 CB 1.037 6 residues pruned to eliminate duplicates Z: 17 15.934 1.657 0.556 0.916 0.938 0.750 CB 1.163 17 residues pruned to eliminate duplicates Z: 9 4.526 1.453 0.563 0.369 0.750 0.500 O 1.081 15 residues pruned to eliminate duplicates Z: 6 4.014 1.649 0.488 0.599 0.800 0.800 CB 0.832 Z: 6 7.048 1.633 0.628 0.824 0.800 0.600 CB 1.120 6 residues pruned to eliminate duplicates Z: 8 7.185 1.451 0.688 0.769 1.000 0.429 CB 0.874 8 residues pruned to eliminate duplicates Z: 7 10.423 1.598 1.157 0.819 0.833 0.333 N 1.123 7 residues pruned to eliminate duplicates Z: 14 7.077 1.592 0.576 0.250 0.846 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 8 14.247 1.638 1.079 0.819 1.000 0.571 CB 1.199 8 residues pruned to eliminate duplicates Z: 12 8.503 1.479 0.247 0.877 1.000 0.909 CB 1.010 12 residues pruned to eliminate duplicates Z: 8 7.677 1.461 0.337 0.711 1.000 0.714 O 1.226 8 residues pruned to eliminate duplicates Z: 7 5.978 1.412 0.380 0.697 0.833 0.833 CB 1.256 Z: 6 5.766 1.618 0.270 0.671 0.800 0.600 CB 1.339 Z: 6 5.683 1.404 0.763 0.486 1.000 0.600 O 1.041 6 residues pruned to eliminate duplicates Z: 6 8.056 1.653 0.593 0.632 1.000 0.800 CA 1.208 Z: 6 6.003 1.311 1.185 0.623 0.800 0.800 CB 1.043 Z: 13 6.281 1.523 0.674 0.840 0.833 0.583 CB 0.637 13 residues pruned to eliminate duplicates Z: 11 4.418 1.313 0.286 0.881 1.000 0.900 CB 0.599 11 residues pruned to eliminate duplicates Z: 6 4.267 1.363 0.174 0.796 1.000 0.600 CB 0.920 Z: 12 10.546 1.611 0.378 0.874 1.000 0.818 CB 1.042 12 residues pruned to eliminate duplicates Z: 12 4.198 1.422 0.475 0.333 0.909 0.545 CB 0.796 Z: 9 10.591 1.589 0.897 0.864 1.000 0.625 CA 0.911 9 residues pruned to eliminate duplicates Z: 13 12.641 1.657 0.891 0.544 1.000 0.750 CB 1.116 18 residues pruned to eliminate duplicates Z: 13 11.277 1.687 0.573 0.785 0.917 0.500 CB 1.041 20 residues pruned to eliminate duplicates Z: 10 8.903 1.594 0.858 0.736 0.778 0.444 CB 1.042 10 residues pruned to eliminate duplicates Z: 12 12.374 1.650 0.766 0.879 0.909 0.909 CA 1.021 11 residues pruned to eliminate duplicates 6 1.837 1.086 0.599 0.396 0.800 0.400 O 0.661 ? 6 0.913 1.243 0.417 0.309 0.600 0.400 CB 0.478 ? Z: 7 4.651 1.475 0.919 0.381 0.833 0.667 CA 0.914 Z: 17 8.748 1.617 0.516 0.372 0.938 0.312 CB 1.092 12 residues pruned to eliminate duplicates Z: 6 7.591 1.669 0.681 0.818 0.800 0.400 CB 1.147 6 residues pruned to eliminate duplicates Z: 22 14.930 1.755 0.706 0.494 0.905 0.619 CB 1.211 22 residues pruned to eliminate duplicates Z: 12 11.436 1.547 0.835 0.892 0.909 0.545 CB 0.960 12 residues pruned to eliminate duplicates Z: 10 9.570 1.698 0.970 0.359 0.778 0.444 N 1.427 10 residues pruned to eliminate duplicates Z: 6 3.248 1.444 0.512 0.287 0.800 0.600 CB 1.056 Z: 6 3.511 1.623 0.297 0.446 0.800 0.400 CB 0.986 6 residues pruned to eliminate duplicates Z: 8 7.269 1.297 0.816 0.799 1.000 0.571 CB 0.898 8 residues pruned to eliminate duplicates Z: 15 8.361 1.735 0.493 0.379 0.857 0.500 CB 1.145 16 residues pruned to eliminate duplicates Z: 6 5.013 1.694 0.649 0.424 0.800 0.600 CB 1.086 6 residues pruned to eliminate duplicates Z: 6 9.415 1.752 0.818 0.770 1.000 0.800 CB 1.040 6 0.880 1.205 0.184 0.279 0.800 0.600 C 0.443 ? Z: 15 6.890 1.549 0.487 0.344 0.857 0.429 CB 1.105 15 residues pruned to eliminate duplicates Z: 12 8.636 1.557 0.390 0.843 0.909 0.727 CB 0.986 12 residues pruned to eliminate duplicates Z: 17 8.229 1.593 0.400 0.514 0.875 0.688 CB 1.040 13 residues pruned to eliminate duplicates Z: 7 4.996 1.295 0.833 0.541 0.833 0.333 CA 0.990 7 1.783 1.501 0.235 0.278 0.667 0.500 CB 0.756 ? Z: 6 3.791 1.542 0.270 0.322 1.000 0.400 CB 1.052 Z: 10 3.348 1.463 -0.244 0.601 0.889 0.667 CB 1.031 10 residues pruned to eliminate duplicates Z: 9 3.513 1.301 0.231 0.340 0.875 0.500 CB 1.055 Z: 8 8.074 1.688 0.620 0.650 0.857 0.571 CB 1.132 Z: 6 2.903 1.480 0.534 0.461 0.800 0.400 CB 0.744 Z: 6 11.499 1.614 0.897 0.849 1.000 0.800 N 1.245 6 residues pruned to eliminate duplicates Z: 13 5.450 1.472 0.323 0.364 0.917 0.417 CB 1.021 Z: 10 6.707 1.573 0.429 0.415 1.000 0.778 CB 1.087 10 residues pruned to eliminate duplicates Z: 9 3.087 1.546 0.545 0.319 0.625 0.375 CB 0.892 Z: 10 4.445 1.437 0.495 0.264 0.889 0.556 CA 1.016 Z: 8 2.161 1.437 0.772 0.334 0.714 0.429 CB 0.538 Z: 8 9.101 1.658 0.690 0.598 0.857 0.714 O 1.305 7 residues pruned to eliminate duplicates Z: 8 5.677 1.271 0.916 0.576 0.857 0.571 CA 0.955 8 residues pruned to eliminate duplicates Z: 14 20.573 1.771 0.808 0.884 1.000 0.923 CB 1.288 14 residues pruned to eliminate duplicates Z: 6 8.351 1.427 0.725 0.870 1.000 0.800 CA 1.108 6 residues pruned to eliminate duplicates Z: 16 10.401 1.675 0.409 0.805 0.867 0.667 CB 1.005 16 residues pruned to eliminate duplicates Z: 10 4.729 1.316 0.423 0.771 0.889 0.667 CB 0.745 5 residues pruned to eliminate duplicates Z: 6 7.821 1.580 0.835 0.874 1.000 0.600 CB 0.878 Z: 8 2.563 1.304 0.800 0.497 0.714 0.429 CB 0.580 Z: 22 18.368 1.801 0.490 0.804 0.857 0.762 CB 1.337 22 residues pruned to eliminate duplicates Z: 8 12.488 1.668 0.821 0.896 1.000 0.857 CB 1.114 8 residues pruned to eliminate duplicates Z: 8 2.669 1.350 0.352 0.470 0.857 0.571 CB 0.665 Z: 9 2.399 1.485 0.066 0.342 0.875 0.375 CB 0.728 Z: 10 8.219 1.576 0.882 0.574 0.667 0.667 N 1.290 8 residues pruned to eliminate duplicates Z: 13 15.384 1.818 0.468 0.838 0.917 0.917 CB 1.358 13 residues pruned to eliminate duplicates Z: 15 24.894 1.750 1.064 0.916 1.000 0.643 CA 1.301 14 residues pruned to eliminate duplicates 6 -0.705 1.395 0.938 0.460 0.800 0.600 CB-0.152 ? Z: 7 6.825 1.432 0.784 0.542 1.000 0.500 N 1.046 Z: 24 7.350 1.569 0.505 0.218 0.783 0.348 CB 1.155 24 residues pruned to eliminate duplicates Z: 8 2.738 1.270 0.677 0.639 0.714 0.714 CB 0.597 7 1.066 1.345 -0.080 0.329 0.833 0.500 CB 0.510 ? Z: 15 15.843 1.773 0.592 0.875 0.857 0.786 CA 1.273 15 residues pruned to eliminate duplicates Z: 19 7.378 1.716 0.581 0.314 0.778 0.500 CB 1.013 19 residues pruned to eliminate duplicates Z: 9 5.274 1.502 0.609 0.437 0.750 0.500 CB 1.098 12 residues pruned to eliminate duplicates Z: 9 11.779 1.525 0.815 0.829 1.000 0.375 CA 1.133 9 residues pruned to eliminate duplicates Z: 11 9.921 1.722 0.583 0.868 1.000 1.000 CA 0.841 11 residues pruned to eliminate duplicates 7 1.151 1.222 0.240 0.183 0.667 0.333 O 0.682 ? 6 1.041 1.592 0.281 0.114 0.400 0.200 CB 0.929 ? Z: 8 4.999 1.424 0.731 0.750 0.857 0.714 CB 0.715 Z: 12 3.953 1.586 0.171 0.486 0.727 0.455 CB 0.895 12 residues pruned to eliminate duplicates Z: 7 3.776 1.475 0.909 0.312 1.000 0.667 CB 0.674 Z: 14 4.801 1.504 0.545 0.471 0.923 0.692 CB 0.639 14 residues pruned to eliminate duplicates Z: 17 14.936 1.776 0.723 0.511 0.938 0.688 CB 1.288 15 residues pruned to eliminate duplicates Z: 25 10.948 1.761 0.625 0.394 0.750 0.542 CB 1.165 25 residues pruned to eliminate duplicates Z: 8 5.681 1.692 0.565 0.377 0.714 0.429 CB 1.294 8 residues pruned to eliminate duplicates 7 1.206 1.357 0.551 0.363 0.667 0.500 CB 0.407 ? Z: 6 4.515 1.501 0.500 0.888 1.000 0.800 CB 0.646 Z: 6 2.280 1.408 -0.100 0.454 0.800 0.600 CB 1.054 Z: 7 2.604 1.307 0.367 0.383 0.667 0.333 CB 1.012 Z: 18 8.014 1.509 0.499 0.458 0.941 0.412 CB 0.954 18 residues pruned to eliminate duplicates Z: 12 5.384 1.619 0.253 0.346 1.000 0.636 CB 0.945 Z: 15 7.969 1.723 1.054 0.393 0.929 0.714 CB 0.726 15 residues pruned to eliminate duplicates Z: 13 7.580 1.427 0.340 0.895 1.000 0.917 CB 0.820 13 residues pruned to eliminate duplicates Z: 13 13.361 1.618 0.745 0.814 0.917 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 7 3.050 1.635 0.003 0.390 0.667 0.167 CA 1.280 Z: 6 3.069 1.502 0.613 0.314 0.600 0.400 CB 1.161 Z: 11 8.249 1.793 0.394 0.561 0.900 0.700 CB 1.093 11 residues pruned to eliminate duplicates Z: 10 10.835 1.589 0.667 0.790 0.889 0.556 CB 1.188 10 residues pruned to eliminate duplicates Z: 9 4.469 1.610 0.567 0.229 0.875 0.250 CB 0.982 Z: 8 9.587 1.578 0.556 0.778 1.000 1.000 CB 1.155 9 residues pruned to eliminate duplicates Z: 17 18.392 1.752 0.668 0.913 1.000 0.938 CA 1.114 17 residues pruned to eliminate duplicates Z: 11 8.977 1.595 0.317 0.916 1.000 0.900 CB 0.954 11 residues pruned to eliminate duplicates Z: 17 16.179 1.622 0.636 0.855 1.000 0.625 CB 1.125 17 residues pruned to eliminate duplicates Z: 14 15.718 1.851 0.231 0.931 1.000 0.923 CA 1.338 14 residues pruned to eliminate duplicates Z: 15 4.785 1.430 0.429 0.434 0.714 0.429 CB 0.938 15 residues pruned to eliminate duplicates Z: 9 3.071 1.345 0.516 0.341 0.625 0.250 CB 1.014 18 residues pruned to eliminate duplicates Z: 10 9.943 1.804 0.170 0.802 1.000 0.778 CB 1.207 10 residues pruned to eliminate duplicates Z: 10 5.190 1.344 0.349 0.790 1.000 0.667 CB 0.740 10 residues pruned to eliminate duplicates Z: 16 5.280 1.514 0.205 0.456 0.800 0.467 CB 0.977 16 residues pruned to eliminate duplicates Z: 6 2.131 1.499 -0.145 0.339 0.800 0.400 CB 1.108 Z: 6 2.279 1.527 0.793 0.277 0.400 0.400 N 1.197 Z: 9 6.358 1.447 0.723 0.725 1.000 0.750 CA 0.736 9 residues pruned to eliminate duplicates Z: 7 6.260 1.521 0.324 0.826 1.000 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 10 5.450 1.422 0.356 0.534 0.889 0.667 N 1.026 10 residues pruned to eliminate duplicates Z: 7 9.018 1.785 0.520 0.868 1.000 1.000 CA 0.991 7 residues pruned to eliminate duplicates Z: 8 2.907 1.458 0.168 0.142 1.000 0.429 CB 1.004 5 residues pruned to eliminate duplicates Z: 24 13.448 1.643 0.685 0.656 0.739 0.609 CB 1.185 24 residues pruned to eliminate duplicates Z: 13 4.573 1.331 0.596 0.257 0.833 0.417 CB 0.985 6 residues pruned to eliminate duplicates Z: 6 5.606 1.292 0.587 0.843 1.000 0.800 CB 0.911 Z: 13 5.442 1.456 0.484 0.281 0.917 0.333 CB 1.016 Z: 8 2.773 1.299 0.247 0.400 0.714 0.571 CB 1.007 Z: 10 9.334 1.626 0.426 0.659 0.889 0.667 CA 1.302 10 residues pruned to eliminate duplicates Z: 18 9.516 1.654 0.477 0.398 0.882 0.588 CA 1.193 17 residues pruned to eliminate duplicates 8 1.805 1.408 -0.026 0.193 0.714 0.429 CB 1.006 ? Z: 7 6.331 1.680 0.462 0.769 1.000 0.667 CB 0.829 7 residues pruned to eliminate duplicates Z: 6 2.117 1.421 0.603 0.281 0.600 0.600 CB 0.887 8 1.919 1.264 0.080 0.353 0.857 0.857 CB 0.727 ? Z: 10 8.870 1.700 0.446 0.545 1.000 0.556 CA 1.151 11 residues pruned to eliminate duplicates Z: 6 4.517 1.309 0.578 0.673 1.000 0.400 N 0.834 6 residues pruned to eliminate duplicates Z: 15 11.348 1.632 0.732 0.612 1.000 0.714 CB 0.966 21 residues pruned to eliminate duplicates Z: 13 9.801 1.763 0.285 0.476 0.833 0.417 CB 1.535 13 residues pruned to eliminate duplicates Z: 7 2.593 1.628 0.205 0.228 0.833 0.500 CB 0.889 7 residues pruned to eliminate duplicates Z: 6 2.477 1.616 -0.074 0.500 0.600 0.400 N 1.234 6 residues pruned to eliminate duplicates Z: 7 2.150 1.285 0.358 0.273 0.833 0.667 CB 0.780 Z: 6 2.250 1.469 0.278 0.300 0.600 0.600 N 1.117 Z: 9 2.442 1.536 -0.026 0.265 0.625 0.375 O 1.207 Z: 7 2.994 1.474 0.353 0.387 0.667 0.500 CB 1.037 Z: 6 3.226 1.413 0.542 0.420 1.000 0.400 CB 0.720 6 residues pruned to eliminate duplicates Z: 10 3.219 1.358 0.132 0.427 0.778 0.556 CB 0.968 6 1.032 1.336 0.253 0.299 0.400 0.400 N 0.862 ? Z: 24 9.868 1.570 0.532 0.517 0.870 0.565 CB 0.967 23 residues pruned to eliminate duplicates Z: 6 2.334 1.387 0.686 0.403 0.800 0.400 CB 0.618 6 residues pruned to eliminate duplicates Z: 8 4.303 1.389 0.256 0.387 1.000 0.571 CB 1.052 8 residues pruned to eliminate duplicates 6 1.537 1.386 0.268 0.338 0.600 0.400 CB 0.777 ? Z: 7 2.106 1.268 0.436 0.304 0.667 0.333 CB 0.881 Z: 6 2.914 1.231 0.298 0.505 1.000 0.600 CB 0.812 Z: 9 3.193 1.585 0.127 0.437 0.750 0.375 CB 0.900 Z: 8 3.166 1.388 0.296 0.334 0.857 0.714 CB 0.931 Z: 7 2.122 1.465 0.068 0.213 0.667 0.333 N 1.165 12 residues pruned to eliminate duplicates Z: 9 3.795 1.556 0.055 0.499 0.750 0.500 CB 1.091 6 residues pruned to eliminate duplicates Z: 16 13.074 1.665 0.674 0.517 1.000 0.600 CB 1.192 16 residues pruned to eliminate duplicates Z: 13 13.825 1.746 0.670 0.913 1.000 1.000 CB 0.969 14 residues pruned to eliminate duplicates Z: 10 2.624 1.472 0.267 0.300 0.889 0.444 CB 0.659 7 residues pruned to eliminate duplicates Z: 13 11.083 1.646 0.788 0.539 0.917 0.667 CB 1.142 13 residues pruned to eliminate duplicates Z: 10 9.296 1.662 0.707 0.550 0.889 0.444 CB 1.171 15 residues pruned to eliminate duplicates Z: 6 3.590 1.529 0.235 0.577 0.800 0.600 N 0.987 6 residues pruned to eliminate duplicates Z: 11 9.049 1.672 0.217 0.836 0.900 0.900 CB 1.170 11 residues pruned to eliminate duplicates Z: 7 2.265 1.380 0.578 0.274 0.667 0.500 CB 0.823 13 residues pruned to eliminate duplicates Z: 13 9.963 1.604 0.739 0.522 0.833 0.750 CA 1.211 13 residues pruned to eliminate duplicates Z: 13 7.910 1.705 0.264 0.577 1.000 0.750 CB 0.983 13 residues pruned to eliminate duplicates Z: 8 3.212 1.463 0.137 0.425 0.857 0.714 CB 0.920 Z: 27 14.488 1.747 0.685 0.516 0.808 0.538 CB 1.177 27 residues pruned to eliminate duplicates Z: 10 3.002 1.426 0.161 0.355 0.667 0.333 CB 1.061 10 residues pruned to eliminate duplicates Z: 6 3.847 1.193 0.442 0.445 1.000 0.600 O 1.058 5 residues pruned to eliminate duplicates Z: 8 4.935 1.486 0.758 0.531 0.857 0.571 CB 0.808 8 residues pruned to eliminate duplicates Z: 7 5.495 1.379 0.363 0.518 1.000 0.500 CA 1.173 6 residues pruned to eliminate duplicates Z: 6 4.104 1.461 0.437 0.468 0.800 0.600 N 1.128 7 residues pruned to eliminate duplicates Z: 8 3.930 1.510 0.377 0.315 0.714 0.429 N 1.227 Z: 9 9.563 1.627 0.478 0.751 1.000 0.750 CB 1.124 11 residues pruned to eliminate duplicates Z: 18 8.495 1.648 0.490 0.595 0.824 0.529 CB 0.931 18 residues pruned to eliminate duplicates Z: 16 22.438 1.742 0.905 0.841 0.933 0.600 CA 1.395 16 residues pruned to eliminate duplicates Z: 6 11.197 1.629 0.745 0.824 1.000 1.000 CB 1.331 Z: 9 6.171 1.396 0.257 0.882 1.000 1.000 CB 0.900 Z: 10 6.919 1.650 0.487 0.342 0.889 0.667 CB 1.255 Z: 16 9.599 1.701 0.841 0.452 0.867 0.667 CB 0.959 16 residues pruned to eliminate duplicates Z: 6 2.804 1.263 0.334 0.629 0.800 0.400 N 0.824 Z: 9 7.344 1.534 0.878 0.369 1.000 0.375 CB 1.037 Z: 6 3.536 1.493 0.063 0.727 0.800 0.800 O 1.016 6 residues pruned to eliminate duplicates Z: 6 2.080 1.153 0.495 0.293 0.800 0.600 C 0.850 8 1.416 1.582 -0.271 0.204 0.714 0.286 CB 0.924 ? Z: 9 8.523 1.810 0.346 0.790 1.000 0.750 CB 0.959 9 residues pruned to eliminate duplicates Z: 9 9.861 1.756 0.793 0.863 0.875 0.875 CB 0.929 9 residues pruned to eliminate duplicates Z: 7 2.472 1.269 0.476 0.358 0.833 0.667 CB 0.754 Z: 9 11.176 1.547 0.857 0.880 0.875 0.750 CA 1.138 9 residues pruned to eliminate duplicates 854 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 16 D: 7 E: 10 F: 9 G: 6 H: 6 I: 6 J: 8 K: 19 L: 6 M: 27 N: 16 O: 7 P: 7 Q: 24 R: 10 S: 32 T: 7 U: 6 V: 13 W: 121 X: 7 Y: 30 Z: 13 Z: 6 Z: 15 Z: 7 Z: 11 Z: 9 Z: 11 Z: 15 Z: 7 Z: 14 Z: 37 Z: 36 Z: 37 Z: 15 Z: 6 Z: 21 Z: 9 Z: 10 Z: 9 Z: 14 Z: 18 Z: 30 Z: 87 CC for partial structure against native data = 30.22 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.424, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.492, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.577, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.595, Connect. = 0.757 for dens.mod. cycle 5 = 0.300, Contrast = 0.599, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.603, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.605, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.606, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.607, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4552 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1144 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 14.414 1.949 0.466 0.859 0.917 0.667 CB 1.169 B: 15 27.351 2.012 0.750 0.912 0.929 0.857 CB 1.583 C: 18 27.833 1.916 0.703 0.889 1.000 0.765 CA 1.489 D: 23 22.972 1.929 0.542 0.707 0.955 0.636 CB 1.429 E: 12 13.955 1.928 0.748 0.813 0.818 0.545 CB 1.162 12 residues pruned to eliminate duplicates F: 12 13.634 1.943 0.395 0.803 1.000 0.727 CB 1.164 12 residues pruned to eliminate duplicates G: 17 33.250 2.206 0.625 0.823 1.000 0.812 CB 1.753 H: 11 12.451 1.865 0.352 0.718 0.900 0.600 CA 1.425 11 residues pruned to eliminate duplicates I: 16 29.829 2.177 0.586 0.843 0.933 0.733 CB 1.780 16 residues pruned to eliminate duplicates J: 15 30.587 1.982 0.755 0.939 1.000 0.929 CB 1.633 15 residues pruned to eliminate duplicates K: 17 26.411 1.850 0.590 0.910 1.000 0.812 CA 1.592 17 residues pruned to eliminate duplicates L: 19 25.867 2.085 0.711 0.748 0.889 0.500 CB 1.540 19 residues pruned to eliminate duplicates M: 15 19.449 1.893 0.617 0.832 0.929 0.571 CB 1.373 N: 17 27.250 2.142 0.495 0.835 0.938 0.688 CB 1.700 17 residues pruned to eliminate duplicates O: 15 31.364 2.022 0.994 0.910 1.000 0.714 CA 1.475 P: 15 10.607 1.772 0.380 0.428 0.929 0.643 CB 1.346 Q: 13 10.202 1.815 0.603 0.837 0.750 0.667 CB 1.010 R: 17 21.747 2.120 0.288 0.780 0.938 0.688 CB 1.658 17 residues pruned to eliminate duplicates S: 9 13.894 1.874 0.444 0.826 1.000 0.875 CB 1.369 T: 19 22.049 1.781 0.619 0.921 0.944 0.889 CA 1.343 U: 15 32.633 2.028 0.960 0.931 1.000 0.929 CA 1.533 15 residues pruned to eliminate duplicates V: 18 31.528 1.917 0.807 0.904 0.941 0.765 CA 1.671 18 residues pruned to eliminate duplicates W: 14 16.983 1.988 0.568 0.854 0.846 0.692 CB 1.319 14 residues pruned to eliminate duplicates X: 15 29.101 1.993 0.780 0.931 1.000 0.786 CB 1.533 15 residues pruned to eliminate duplicates Y: 7 9.846 1.987 0.266 0.649 1.000 1.000 CA 1.390 8 residues pruned to eliminate duplicates Z: 16 20.916 1.828 0.812 0.812 0.933 0.733 CA 1.331 Z: 21 15.812 1.962 0.555 0.545 0.850 0.600 CB 1.304 13 residues pruned to eliminate duplicates Z: 16 27.044 1.930 0.568 0.941 1.000 0.933 CB 1.602 15 residues pruned to eliminate duplicates Z: 17 32.951 1.902 0.985 0.945 1.000 0.812 CA 1.510 Z: 6 14.553 1.901 0.745 0.869 1.000 0.800 CA 1.433 Z: 15 27.385 2.053 0.779 0.915 0.929 0.857 CA 1.525 15 residues pruned to eliminate duplicates Z: 16 20.511 1.866 0.296 0.935 1.000 0.800 CB 1.526 16 residues pruned to eliminate duplicates Z: 17 20.253 1.804 0.801 0.815 0.875 0.625 CB 1.355 17 residues pruned to eliminate duplicates Z: 18 24.101 1.826 0.683 0.863 1.000 0.882 CB 1.396 18 residues pruned to eliminate duplicates Z: 16 27.578 1.922 0.642 0.937 1.000 0.933 CB 1.570 16 residues pruned to eliminate duplicates Z: 17 31.484 2.144 0.791 0.798 1.000 0.750 CB 1.579 16 residues pruned to eliminate duplicates Z: 27 24.343 1.911 0.928 0.722 0.846 0.654 CB 1.253 Z: 16 27.916 1.942 0.539 0.935 1.000 0.933 CB 1.680 16 residues pruned to eliminate duplicates Z: 9 11.946 1.859 0.212 0.874 1.000 0.875 CA 1.364 9 residues pruned to eliminate duplicates Z: 9 15.524 1.867 0.717 0.875 0.875 0.750 CA 1.423 9 residues pruned to eliminate duplicates Z: 16 13.154 1.779 0.458 0.908 0.933 0.533 CB 0.997 16 residues pruned to eliminate duplicates Z: 10 17.118 2.043 0.825 0.880 1.000 0.778 CB 1.109 13 residues pruned to eliminate duplicates Z: 21 21.500 1.986 0.464 0.707 0.900 0.600 CA 1.522 21 residues pruned to eliminate duplicates Z: 16 36.140 1.952 1.068 0.926 1.000 0.733 CA 1.622 17 residues pruned to eliminate duplicates Z: 15 19.978 1.901 0.817 0.852 0.929 0.643 CA 1.231 14 residues pruned to eliminate duplicates Z: 8 11.365 1.722 0.679 0.840 1.000 0.571 CB 1.109 Z: 25 18.130 1.951 0.303 0.633 0.917 0.667 CB 1.402 25 residues pruned to eliminate duplicates Z: 6 7.029 1.646 0.368 0.833 1.000 0.600 CA 1.047 Z: 18 28.170 1.770 0.961 0.899 1.000 0.824 N 1.407 19 residues pruned to eliminate duplicates Z: 18 28.486 1.900 0.882 0.857 1.000 0.647 CB 1.424 18 residues pruned to eliminate duplicates Z: 23 26.632 1.882 0.747 0.779 0.955 0.636 CB 1.414 23 residues pruned to eliminate duplicates Z: 10 7.747 1.960 0.212 0.426 0.889 0.556 CB 1.322 10 residues pruned to eliminate duplicates Z: 25 11.633 1.780 0.522 0.424 0.750 0.500 CB 1.266 Z: 19 22.066 1.741 0.533 0.930 1.000 0.944 CB 1.363 19 residues pruned to eliminate duplicates Z: 16 16.786 1.766 0.855 0.917 1.000 0.533 CB 0.934 16 residues pruned to eliminate duplicates Z: 13 13.560 1.770 0.592 0.859 0.833 0.750 CB 1.226 Z: 16 24.942 1.924 0.599 0.880 0.933 0.733 CB 1.625 16 residues pruned to eliminate duplicates Z: 19 20.072 1.968 0.581 0.774 0.889 0.611 CB 1.342 19 residues pruned to eliminate duplicates Z: 18 23.865 1.867 0.839 0.907 0.941 0.882 CB 1.273 18 residues pruned to eliminate duplicates Z: 21 28.247 2.015 0.603 0.759 0.950 0.700 CB 1.635 21 residues pruned to eliminate duplicates Z: 25 29.074 2.108 0.658 0.679 1.000 0.667 CB 1.440 22 residues pruned to eliminate duplicates Z: 7 9.095 1.818 0.847 0.753 0.667 0.500 CB 1.324 Z: 17 20.946 1.910 0.404 0.917 0.938 0.875 CA 1.471 17 residues pruned to eliminate duplicates Z: 22 22.465 1.939 0.699 0.794 0.952 0.810 CB 1.207 22 residues pruned to eliminate duplicates Z: 18 25.843 1.969 0.716 0.799 0.941 0.765 CA 1.517 18 residues pruned to eliminate duplicates Z: 21 23.197 1.769 0.780 0.839 0.900 0.650 CB 1.367 18 residues pruned to eliminate duplicates Z: 15 14.312 1.995 0.756 0.393 0.857 0.429 CB 1.426 Z: 14 15.837 1.745 0.507 0.843 1.000 0.846 CA 1.244 17 residues pruned to eliminate duplicates Z: 16 26.083 1.926 0.465 0.936 1.000 0.867 CB 1.662 16 residues pruned to eliminate duplicates Z: 13 20.614 1.970 0.769 0.914 1.000 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 8 10.937 1.788 0.589 0.852 1.000 0.714 CA 1.077 Z: 15 31.610 2.008 1.015 0.923 1.000 0.714 CA 1.467 15 residues pruned to eliminate duplicates Z: 20 13.578 1.838 0.421 0.472 0.895 0.579 CB 1.372 Z: 17 17.433 1.800 0.632 0.839 0.938 0.562 CB 1.182 17 residues pruned to eliminate duplicates Z: 17 26.098 1.908 0.596 0.943 1.000 1.000 CB 1.484 17 residues pruned to eliminate duplicates Z: 14 11.497 1.911 0.510 0.380 0.846 0.692 CA 1.485 14 residues pruned to eliminate duplicates Z: 17 28.317 1.927 0.811 0.904 1.000 0.750 CB 1.444 16 residues pruned to eliminate duplicates Z: 19 28.927 1.845 0.913 0.846 0.944 0.833 CB 1.519 19 residues pruned to eliminate duplicates Z: 59 34.644 1.951 0.640 0.557 0.914 0.638 CB 1.472 56 residues pruned to eliminate duplicates Z: 14 14.859 1.936 0.356 0.851 1.000 0.769 CA 1.162 Z: 11 11.336 1.820 0.387 0.885 0.900 0.900 CB 1.140 Z: 14 20.329 1.799 0.707 0.901 1.000 0.846 CB 1.311 Z: 8 9.212 1.611 0.718 0.690 1.000 0.571 CB 1.058 Z: 12 15.430 1.913 0.464 0.679 0.909 0.545 CA 1.549 12 residues pruned to eliminate duplicates Z: 20 24.030 2.013 0.819 0.791 0.789 0.684 CB 1.477 20 residues pruned to eliminate duplicates Z: 19 23.834 1.824 0.743 0.889 0.889 0.778 CA 1.431 19 residues pruned to eliminate duplicates Z: 15 23.750 2.192 0.215 0.865 1.000 1.000 CA 1.746 15 residues pruned to eliminate duplicates Z: 29 23.083 1.957 0.662 0.486 0.929 0.571 CA 1.464 7 residues pruned to eliminate duplicates Z: 17 26.255 2.019 0.584 0.889 0.938 0.875 CA 1.576 17 residues pruned to eliminate duplicates Z: 6 12.526 1.837 0.888 0.862 1.000 0.600 CA 1.186 6 residues pruned to eliminate duplicates Z: 24 10.593 1.889 0.330 0.331 0.870 0.435 CB 1.216 26 residues pruned to eliminate duplicates Z: 9 16.000 1.850 0.618 0.903 1.000 1.000 CA 1.347 9 residues pruned to eliminate duplicates Z: 13 11.808 1.766 0.584 0.552 0.917 0.667 CA 1.263 13 residues pruned to eliminate duplicates Z: 22 17.554 1.788 0.522 0.559 0.952 0.571 CB 1.395 8 residues pruned to eliminate duplicates Z: 18 28.427 1.918 0.744 0.873 0.941 0.824 N 1.595 18 residues pruned to eliminate duplicates Z: 8 5.278 1.880 0.219 0.292 0.714 0.286 CB 1.540 Z: 18 17.662 1.790 0.289 0.903 1.000 0.765 CA 1.323 18 residues pruned to eliminate duplicates Z: 11 6.003 1.660 0.291 0.273 0.900 0.400 CB 1.273 Z: 10 18.677 1.940 0.659 0.888 1.000 0.889 CA 1.394 11 residues pruned to eliminate duplicates Z: 16 25.833 1.948 0.500 0.929 1.000 0.933 CB 1.597 16 residues pruned to eliminate duplicates Z: 10 14.773 1.966 0.451 0.772 1.000 0.667 CB 1.357 11 residues pruned to eliminate duplicates Z: 7 9.845 1.620 0.797 0.791 1.000 0.333 CA 1.070 7 residues pruned to eliminate duplicates Z: 17 25.347 1.930 0.581 0.902 1.000 1.000 CA 1.481 17 residues pruned to eliminate duplicates Z: 7 2.639 1.593 0.543 0.245 0.833 0.500 CB 0.706 Z: 10 13.154 2.011 0.347 0.694 1.000 1.000 CB 1.355 10 residues pruned to eliminate duplicates Z: 9 13.582 1.847 0.473 0.855 1.000 1.000 CB 1.302 10 residues pruned to eliminate duplicates Z: 13 17.875 1.808 0.785 0.855 0.917 0.833 CB 1.287 Z: 16 23.066 1.885 0.529 0.849 1.000 0.867 CA 1.532 Z: 14 5.722 1.809 0.396 0.201 0.769 0.308 CB 1.166 14 residues pruned to eliminate duplicates Z: 14 21.159 1.850 0.699 0.912 1.000 0.923 CA 1.323 14 residues pruned to eliminate duplicates Z: 10 12.792 1.580 1.000 0.896 0.889 0.778 CB 1.088 10 residues pruned to eliminate duplicates Z: 16 28.832 2.010 0.561 0.892 1.000 0.867 CA 1.704 16 residues pruned to eliminate duplicates Z: 14 17.778 1.942 0.590 0.875 1.000 0.846 CB 1.160 15 residues pruned to eliminate duplicates Z: 18 30.814 1.924 0.702 0.942 1.000 0.882 CA 1.583 18 residues pruned to eliminate duplicates Z: 12 12.673 1.846 0.409 0.517 1.000 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 11 15.548 2.013 0.467 0.899 1.000 0.900 CB 1.190 11 residues pruned to eliminate duplicates Z: 30 19.528 1.877 0.755 0.528 0.793 0.552 CB 1.350 32 residues pruned to eliminate duplicates Z: 26 19.081 1.921 0.447 0.542 0.880 0.720 CB 1.497 26 residues pruned to eliminate duplicates Z: 9 13.087 1.824 0.668 0.907 1.000 0.875 CB 1.081 9 residues pruned to eliminate duplicates Z: 8 2.522 1.478 0.133 0.412 0.571 0.429 CB 1.092 Z: 8 8.419 1.429 0.752 0.697 0.857 0.714 CB 1.238 Z: 8 6.665 1.663 0.266 0.777 1.000 0.286 CB 0.937 Z: 18 9.883 1.708 0.600 0.367 0.824 0.471 CB 1.229 18 residues pruned to eliminate duplicates Z: 18 18.053 1.833 0.591 0.742 0.882 0.706 CA 1.371 17 residues pruned to eliminate duplicates Z: 16 24.325 2.019 0.537 0.924 1.000 0.933 CA 1.422 16 residues pruned to eliminate duplicates Z: 15 24.678 2.041 0.638 0.924 1.000 0.929 CA 1.386 15 residues pruned to eliminate duplicates Z: 15 30.590 2.040 0.940 0.941 1.000 0.857 CA 1.434 16 residues pruned to eliminate duplicates Z: 6 5.177 1.674 0.538 0.476 0.800 0.800 CA 1.151 Z: 16 10.240 1.885 0.406 0.370 0.933 0.600 CB 1.229 Z: 15 21.154 1.884 0.629 0.885 1.000 0.714 CB 1.330 15 residues pruned to eliminate duplicates Z: 16 31.113 2.039 0.814 0.868 0.933 0.867 CB 1.701 16 residues pruned to eliminate duplicates Z: 11 14.614 1.848 0.377 0.856 1.000 0.900 CB 1.339 11 residues pruned to eliminate duplicates Z: 17 31.174 1.937 0.815 0.910 1.000 0.875 CA 1.571 17 residues pruned to eliminate duplicates Z: 18 13.214 1.997 0.686 0.343 0.882 0.706 CB 1.280 Z: 19 20.263 1.787 0.403 0.881 0.944 0.889 CA 1.460 19 residues pruned to eliminate duplicates Z: 16 12.748 1.930 0.534 0.460 0.933 0.733 CB 1.241 15 residues pruned to eliminate duplicates Z: 13 18.526 1.911 0.497 0.919 1.000 0.917 CB 1.317 13 residues pruned to eliminate duplicates Z: 19 27.789 1.814 0.752 0.866 1.000 0.889 N 1.509 19 residues pruned to eliminate duplicates Z: 17 34.774 2.008 0.853 0.937 0.938 0.812 CA 1.734 18 residues pruned to eliminate duplicates Z: 16 16.248 1.891 0.359 0.882 1.000 0.733 CB 1.181 16 residues pruned to eliminate duplicates Z: 19 25.253 1.838 0.715 0.894 1.000 0.722 CA 1.354 19 residues pruned to eliminate duplicates Z: 18 24.775 2.068 0.454 0.799 0.941 0.706 CB 1.635 18 residues pruned to eliminate duplicates Z: 13 18.325 1.813 0.768 0.918 1.000 0.917 CB 1.164 13 residues pruned to eliminate duplicates Z: 27 7.830 1.675 0.353 0.401 0.808 0.577 CB 0.932 Z: 18 32.608 1.901 0.763 0.912 1.000 0.824 N 1.672 18 residues pruned to eliminate duplicates Z: 30 19.127 1.982 0.544 0.507 0.862 0.724 CB 1.336 30 residues pruned to eliminate duplicates Z: 7 5.080 1.618 0.601 0.794 0.667 0.667 CA 0.928 7 residues pruned to eliminate duplicates Z: 9 10.541 1.677 0.491 0.794 1.000 0.875 CA 1.152 9 residues pruned to eliminate duplicates Z: 11 13.087 1.707 0.507 0.909 1.000 0.800 CB 1.142 Z: 19 27.327 1.794 0.847 0.862 0.944 0.722 CB 1.511 19 residues pruned to eliminate duplicates Z: 21 18.143 1.905 0.527 0.648 0.900 0.700 CB 1.350 25 residues pruned to eliminate duplicates Z: 6 13.478 1.950 0.626 0.850 1.000 0.800 N 1.408 6 residues pruned to eliminate duplicates Z: 17 19.896 1.834 0.576 0.867 0.938 0.750 CB 1.343 17 residues pruned to eliminate duplicates Z: 19 10.276 1.894 0.366 0.415 0.889 0.444 CB 1.151 19 residues pruned to eliminate duplicates Z: 15 15.376 1.949 0.357 0.856 0.929 0.786 CA 1.234 14 residues pruned to eliminate duplicates Z: 8 15.194 2.045 0.356 0.878 1.000 0.857 CA 1.504 8 residues pruned to eliminate duplicates Z: 15 25.290 2.047 0.592 0.897 1.000 0.857 CA 1.484 15 residues pruned to eliminate duplicates Z: 13 8.645 1.983 0.299 0.387 0.750 0.583 CA 1.455 13 residues pruned to eliminate duplicates Z: 18 24.633 2.009 0.583 0.795 0.941 0.824 CB 1.541 18 residues pruned to eliminate duplicates Z: 16 30.924 1.973 0.975 0.951 1.000 0.933 CA 1.412 16 residues pruned to eliminate duplicates Z: 12 8.949 1.724 0.777 0.380 0.909 0.727 CB 1.101 8 residues pruned to eliminate duplicates Z: 6 9.038 1.776 0.450 0.827 1.000 1.000 CB 1.183 6 residues pruned to eliminate duplicates Z: 17 30.527 1.903 0.839 0.940 1.000 0.875 CB 1.515 17 residues pruned to eliminate duplicates Z: 27 20.533 1.875 0.559 0.545 0.962 0.654 CB 1.371 26 residues pruned to eliminate duplicates Z: 19 27.320 1.848 0.770 0.913 1.000 0.778 CB 1.394 19 residues pruned to eliminate duplicates Z: 9 7.281 1.939 0.290 0.341 1.000 0.750 CB 1.224 9 residues pruned to eliminate duplicates Z: 8 12.658 1.704 0.733 0.854 1.000 0.714 N 1.196 8 residues pruned to eliminate duplicates Z: 10 9.832 1.726 0.810 0.448 0.889 0.667 CB 1.245 10 residues pruned to eliminate duplicates Z: 17 20.108 1.864 0.774 0.725 0.938 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 16 25.384 2.008 0.715 0.909 1.000 0.867 CA 1.351 15 residues pruned to eliminate duplicates Z: 26 27.308 2.124 0.629 0.660 0.960 0.760 CB 1.417 15 residues pruned to eliminate duplicates Z: 15 26.761 2.255 0.378 0.855 1.000 0.857 CA 1.699 15 residues pruned to eliminate duplicates Z: 8 5.846 1.546 0.519 0.428 0.857 0.714 CB 1.184 Z: 14 12.680 1.767 0.488 0.925 1.000 0.846 CB 0.939 13 residues pruned to eliminate duplicates Z: 15 26.888 2.044 0.733 0.928 1.000 0.929 CA 1.420 15 residues pruned to eliminate duplicates Z: 27 11.752 1.665 0.534 0.479 0.962 0.500 CB 0.959 Z: 22 13.650 1.847 0.548 0.493 0.810 0.524 CB 1.296 20 residues pruned to eliminate duplicates Z: 8 11.439 1.871 0.263 0.879 1.000 1.000 CB 1.328 8 residues pruned to eliminate duplicates Z: 9 10.584 1.810 0.388 0.884 1.000 0.875 CA 1.076 9 residues pruned to eliminate duplicates Z: 8 8.722 1.620 0.739 0.868 0.714 0.714 CB 1.198 8 residues pruned to eliminate duplicates Z: 8 3.560 1.642 0.286 0.213 0.714 0.429 CB 1.252 Z: 45 18.552 1.845 0.388 0.491 0.886 0.614 CB 1.243 50 residues pruned to eliminate duplicates Z: 13 8.906 1.938 0.691 0.361 0.833 0.500 CB 1.094 13 residues pruned to eliminate duplicates Z: 16 8.166 1.586 0.396 0.395 0.933 0.467 CB 1.140 Z: 13 12.704 1.797 0.298 0.829 1.000 0.833 CA 1.183 13 residues pruned to eliminate duplicates Z: 6 6.413 1.767 0.527 0.479 0.800 0.600 O 1.357 6 residues pruned to eliminate duplicates Z: 15 28.012 2.025 0.771 0.939 1.000 0.857 CA 1.450 15 residues pruned to eliminate duplicates Z: 6 3.479 1.716 0.623 0.427 0.800 0.600 CB 0.753 Z: 14 17.896 1.788 0.578 0.923 1.000 1.000 CB 1.236 14 residues pruned to eliminate duplicates Z: 12 5.949 1.606 0.552 0.390 0.727 0.364 CB 1.112 12 residues pruned to eliminate duplicates Z: 27 20.680 1.911 0.574 0.483 0.923 0.577 CA 1.485 27 residues pruned to eliminate duplicates Z: 6 5.866 1.802 0.191 0.801 0.800 0.600 CB 1.175 6 residues pruned to eliminate duplicates 6 1.720 1.246 0.734 0.652 1.000 0.600 CB 0.309 ? Z: 8 5.700 1.690 0.457 0.611 0.714 0.714 N 1.102 Z: 15 14.982 1.822 0.652 0.916 0.929 0.643 CB 1.012 15 residues pruned to eliminate duplicates Z: 10 18.086 1.961 0.739 0.882 1.000 0.556 CB 1.279 10 residues pruned to eliminate duplicates Z: 14 14.581 1.761 0.752 0.503 1.000 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 12 9.508 1.838 0.426 0.496 0.909 0.818 CB 1.207 12 residues pruned to eliminate duplicates Z: 16 14.999 1.755 0.909 0.913 0.867 0.600 CB 0.944 16 residues pruned to eliminate duplicates Z: 8 5.126 1.784 0.583 0.553 0.714 0.571 CB 0.912 Z: 9 19.827 2.158 0.608 0.894 1.000 0.875 CB 1.449 9 residues pruned to eliminate duplicates Z: 11 2.807 1.578 0.268 0.270 0.600 0.400 CB 0.961 Z: 9 9.242 1.629 0.417 0.759 0.875 0.875 CB 1.286 7 residues pruned to eliminate duplicates Z: 10 5.114 1.634 0.421 0.397 0.778 0.444 CB 1.053 Z: 19 21.966 1.937 0.471 0.804 1.000 0.778 CB 1.394 18 residues pruned to eliminate duplicates Z: 7 2.242 1.485 0.261 0.503 0.667 0.667 CB 0.731 Z: 17 10.100 1.757 0.183 0.792 0.875 0.750 CB 1.075 17 residues pruned to eliminate duplicates Z: 18 20.704 1.839 0.740 0.896 0.882 0.882 CA 1.274 18 residues pruned to eliminate duplicates Z: 30 18.104 1.878 0.458 0.426 0.931 0.552 CB 1.423 30 residues pruned to eliminate duplicates Z: 15 14.834 1.845 0.599 0.832 0.857 0.714 CB 1.177 15 residues pruned to eliminate duplicates Z: 10 5.668 1.494 0.803 0.577 0.778 0.667 CB 0.838 Z: 15 10.659 1.866 0.425 0.451 0.857 0.500 CB 1.314 15 residues pruned to eliminate duplicates Z: 18 23.820 1.839 0.522 0.931 1.000 0.882 CB 1.442 18 residues pruned to eliminate duplicates Z: 51 19.597 1.869 0.604 0.365 0.880 0.580 CB 1.214 40 residues pruned to eliminate duplicates Z: 14 20.850 1.855 0.793 0.906 1.000 0.846 CB 1.237 13 residues pruned to eliminate duplicates Z: 16 25.942 1.914 0.839 0.925 1.000 0.933 CA 1.335 16 residues pruned to eliminate duplicates Z: 18 20.847 1.838 0.683 0.710 0.941 0.529 CB 1.436 18 residues pruned to eliminate duplicates Z: 23 14.452 1.794 0.764 0.450 0.864 0.545 CB 1.187 22 residues pruned to eliminate duplicates Z: 7 7.003 1.588 0.488 0.730 1.000 0.500 N 0.984 Z: 14 19.058 1.913 0.398 0.898 1.000 0.846 CB 1.414 14 residues pruned to eliminate duplicates Z: 10 9.678 1.903 0.224 0.826 1.000 0.556 CA 1.045 9 residues pruned to eliminate duplicates Z: 13 10.699 1.764 0.294 0.802 1.000 0.750 CA 1.039 13 residues pruned to eliminate duplicates Z: 6 5.912 1.813 0.157 0.796 1.000 0.600 CB 0.972 6 residues pruned to eliminate duplicates Z: 7 5.108 1.677 0.163 0.644 0.833 0.667 CB 1.121 Z: 10 12.313 1.893 0.214 0.897 1.000 0.889 CB 1.279 10 residues pruned to eliminate duplicates Z: 17 33.350 2.003 0.862 0.928 0.938 0.812 CA 1.670 17 residues pruned to eliminate duplicates Z: 8 20.566 2.017 0.894 0.892 1.000 0.857 CB 1.462 Z: 19 12.339 1.968 0.488 0.477 0.944 0.722 CB 1.076 19 residues pruned to eliminate duplicates Z: 15 20.450 1.768 0.894 0.823 1.000 0.571 CB 1.234 14 residues pruned to eliminate duplicates Z: 16 20.884 1.879 0.626 0.823 0.933 0.867 CA 1.429 16 residues pruned to eliminate duplicates Z: 19 25.581 1.858 0.713 0.921 1.000 0.833 CA 1.333 19 residues pruned to eliminate duplicates Z: 14 13.524 1.747 0.496 0.859 1.000 0.769 CB 1.056 14 residues pruned to eliminate duplicates Z: 18 9.185 1.897 0.426 0.283 0.824 0.294 CB 1.277 24 residues pruned to eliminate duplicates Z: 14 8.369 1.781 0.402 0.371 0.846 0.462 CB 1.260 14 residues pruned to eliminate duplicates Z: 6 8.282 1.761 0.404 0.629 1.000 0.800 CB 1.326 Z: 6 4.328 1.614 0.503 0.456 1.000 0.400 CB 0.834 5 residues pruned to eliminate duplicates Z: 9 6.853 1.859 0.463 0.403 0.875 0.625 CB 1.127 4 residues pruned to eliminate duplicates Z: 12 17.937 1.841 0.487 0.861 1.000 0.909 CB 1.451 12 residues pruned to eliminate duplicates Z: 11 6.248 1.602 0.389 0.267 1.000 0.500 CB 1.158 11 residues pruned to eliminate duplicates Z: 8 9.804 1.674 0.691 0.873 0.857 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 8 13.778 1.632 1.060 0.863 1.000 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 18 13.620 1.719 0.456 0.670 0.824 0.529 CA 1.369 18 residues pruned to eliminate duplicates Z: 8 14.539 1.664 1.151 0.855 1.000 0.286 CA 1.133 8 residues pruned to eliminate duplicates Z: 6 5.806 1.542 0.346 0.820 1.000 0.600 CB 0.948 Z: 62 26.262 1.916 0.461 0.420 0.918 0.590 CB 1.423 61 residues pruned to eliminate duplicates Z: 20 18.072 1.923 0.549 0.525 0.895 0.684 CB 1.517 20 residues pruned to eliminate duplicates Z: 18 19.956 1.856 0.320 0.915 1.000 0.882 CA 1.397 18 residues pruned to eliminate duplicates Z: 18 21.961 1.856 0.479 0.883 0.941 0.765 CA 1.490 18 residues pruned to eliminate duplicates Z: 24 23.798 2.156 0.459 0.665 0.913 0.783 CB 1.483 24 residues pruned to eliminate duplicates Z: 16 21.540 1.864 0.733 0.761 0.933 0.533 CB 1.462 16 residues pruned to eliminate duplicates Z: 11 11.463 1.666 0.505 0.860 1.000 0.800 CB 1.064 Z: 11 8.998 1.463 0.935 0.520 0.900 0.400 CB 1.095 Z: 18 18.570 1.815 0.217 0.937 1.000 0.882 CB 1.418 18 residues pruned to eliminate duplicates Z: 9 6.166 1.826 0.105 0.552 0.875 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 12 15.404 1.825 0.425 0.836 1.000 0.818 CB 1.337 11 residues pruned to eliminate duplicates Z: 8 3.184 1.748 -0.023 0.331 1.000 0.571 CB 0.848 Z: 13 18.048 1.784 0.688 0.891 1.000 0.667 CB 1.244 13 residues pruned to eliminate duplicates Z: 10 10.387 1.607 0.421 0.878 1.000 0.778 CB 1.101 7 residues pruned to eliminate duplicates Z: 21 22.436 1.936 0.661 0.654 0.950 0.750 CB 1.423 22 residues pruned to eliminate duplicates Z: 8 8.382 1.766 0.183 0.738 1.000 0.857 CA 1.224 7 residues pruned to eliminate duplicates Z: 19 21.749 1.843 0.862 0.834 0.889 0.722 CB 1.260 19 residues pruned to eliminate duplicates Z: 27 18.011 1.993 0.436 0.476 0.846 0.577 CB 1.496 35 residues pruned to eliminate duplicates Z: 9 6.393 1.727 0.305 0.490 0.875 0.625 CB 1.158 Z: 23 8.789 1.696 0.499 0.447 0.909 0.682 CB 0.856 25 residues pruned to eliminate duplicates Z: 16 29.063 2.007 0.817 0.931 1.000 0.800 CA 1.438 16 residues pruned to eliminate duplicates Z: 7 10.632 1.736 0.865 0.849 1.000 0.833 CB 0.995 Z: 6 3.706 1.451 0.376 0.519 0.800 0.400 N 1.018 Z: 16 29.825 2.027 0.590 0.918 1.000 0.933 CA 1.684 16 residues pruned to eliminate duplicates Z: 11 14.749 1.676 1.042 0.885 0.900 0.700 CB 1.093 11 residues pruned to eliminate duplicates Z: 9 5.143 1.664 0.155 0.495 0.750 0.500 N 1.268 Z: 9 2.855 1.396 0.025 0.306 0.750 0.500 CA 1.167 8 residues pruned to eliminate duplicates Z: 6 9.764 2.006 0.779 0.624 1.000 0.800 CB 1.089 Z: 21 17.358 1.894 0.767 0.578 0.900 0.700 CB 1.196 24 residues pruned to eliminate duplicates Z: 21 25.092 2.025 0.605 0.719 0.900 0.500 CB 1.574 21 residues pruned to eliminate duplicates Z: 48 26.980 1.979 0.573 0.504 0.894 0.574 CB 1.409 48 residues pruned to eliminate duplicates Z: 9 13.939 2.011 0.581 0.877 1.000 1.000 CB 1.126 10 residues pruned to eliminate duplicates Z: 10 9.083 1.932 0.541 0.325 0.889 0.667 CB 1.387 9 residues pruned to eliminate duplicates Z: 14 20.392 1.926 0.389 0.891 1.000 0.923 CB 1.520 14 residues pruned to eliminate duplicates Z: 8 5.181 1.538 0.457 0.574 0.714 0.571 CA 1.140 Z: 6 10.275 1.810 0.431 0.774 1.000 0.800 CB 1.392 Z: 10 11.893 1.742 0.370 0.855 1.000 0.889 CB 1.226 9 residues pruned to eliminate duplicates Z: 12 12.301 1.863 0.886 0.529 0.818 0.545 CB 1.254 12 residues pruned to eliminate duplicates Z: 20 20.342 1.958 0.436 0.741 1.000 0.737 CA 1.338 20 residues pruned to eliminate duplicates Z: 12 3.958 1.497 0.198 0.303 0.909 0.545 CB 0.912 12 residues pruned to eliminate duplicates Z: 7 5.391 1.625 0.092 0.702 1.000 0.833 CB 1.032 6 residues pruned to eliminate duplicates Z: 7 4.010 1.377 0.709 0.466 1.000 0.500 CB 0.720 Z: 14 19.926 1.888 0.634 0.887 1.000 0.769 CB 1.292 14 residues pruned to eliminate duplicates Z: 16 11.822 1.840 0.519 0.433 0.933 0.600 CB 1.254 16 residues pruned to eliminate duplicates Z: 31 13.039 1.877 0.402 0.402 0.767 0.467 CB 1.309 31 residues pruned to eliminate duplicates Z: 16 23.814 2.026 0.584 0.904 1.000 0.867 CA 1.365 16 residues pruned to eliminate duplicates Z: 14 24.977 1.978 0.841 0.912 1.000 0.846 CA 1.346 14 residues pruned to eliminate duplicates Z: 27 15.120 1.906 0.439 0.454 0.846 0.538 CB 1.339 27 residues pruned to eliminate duplicates Z: 7 8.006 1.733 0.390 0.657 0.833 0.667 CB 1.408 6 residues pruned to eliminate duplicates Z: 11 12.730 1.693 0.452 0.878 1.000 0.400 CB 1.188 11 residues pruned to eliminate duplicates Z: 10 10.082 1.706 0.493 0.848 1.000 0.667 CB 0.979 10 residues pruned to eliminate duplicates Z: 10 2.955 1.601 0.185 0.370 0.667 0.556 CB 0.896 Z: 7 5.144 1.825 0.474 0.503 0.833 0.667 CB 0.934 7 residues pruned to eliminate duplicates Z: 7 11.598 1.853 0.316 0.901 1.000 1.000 CA 1.385 7 residues pruned to eliminate duplicates Z: 11 13.014 1.952 0.496 0.548 1.000 0.600 CA 1.345 11 residues pruned to eliminate duplicates Z: 16 21.969 1.835 0.969 0.924 0.933 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 8 6.767 1.549 0.538 0.712 0.857 0.429 N 1.034 8 residues pruned to eliminate duplicates Z: 18 21.504 1.902 0.573 0.826 0.941 0.706 CA 1.397 18 residues pruned to eliminate duplicates Z: 46 17.996 1.879 0.370 0.368 0.911 0.578 CB 1.318 46 residues pruned to eliminate duplicates Z: 8 4.183 1.468 0.127 0.581 0.857 0.857 N 1.031 8 residues pruned to eliminate duplicates Z: 12 11.632 1.917 0.133 0.830 1.000 1.000 CA 1.214 12 residues pruned to eliminate duplicates Z: 10 6.185 1.614 0.402 0.480 0.778 0.667 CB 1.195 Z: 12 14.752 1.725 0.489 0.793 1.000 0.455 N 1.340 12 residues pruned to eliminate duplicates Z: 12 13.542 1.537 0.517 0.884 1.000 0.818 CA 1.265 11 residues pruned to eliminate duplicates Z: 19 24.339 1.830 0.810 0.826 0.944 0.778 CA 1.383 19 residues pruned to eliminate duplicates Z: 16 21.226 2.037 0.422 0.934 1.000 0.933 CA 1.320 16 residues pruned to eliminate duplicates Z: 16 14.131 1.979 0.581 0.474 0.933 0.800 CB 1.283 16 residues pruned to eliminate duplicates Z: 6 3.815 1.275 0.564 0.682 0.800 0.600 O 0.905 5 residues pruned to eliminate duplicates Z: 7 7.260 1.702 0.182 0.841 1.000 0.667 CA 1.098 7 residues pruned to eliminate duplicates Z: 41 17.400 1.844 0.521 0.417 0.875 0.550 CB 1.222 41 residues pruned to eliminate duplicates Z: 14 8.048 1.738 0.722 0.373 0.769 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 8 7.776 1.761 0.338 0.662 1.000 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 9 13.020 2.033 0.358 0.875 1.000 0.875 CA 1.213 9 residues pruned to eliminate duplicates Z: 19 14.394 1.849 0.467 0.533 0.944 0.778 CB 1.281 27 residues pruned to eliminate duplicates Z: 16 15.121 1.614 0.617 0.881 0.933 0.733 CB 1.161 16 residues pruned to eliminate duplicates Z: 7 5.079 1.713 0.513 0.381 0.833 0.833 CA 1.089 7 residues pruned to eliminate duplicates Z: 13 15.089 1.757 0.799 0.785 0.833 0.417 C 1.287 13 residues pruned to eliminate duplicates Z: 8 13.342 1.676 0.920 0.855 1.000 0.714 CA 1.156 8 residues pruned to eliminate duplicates Z: 12 12.529 1.959 0.526 0.519 0.909 0.818 CB 1.364 12 residues pruned to eliminate duplicates 6 1.318 1.353 0.414 0.233 0.600 0.600 O 0.700 ? Z: 6 2.821 1.279 0.312 0.812 0.800 0.600 CA 0.717 5 residues pruned to eliminate duplicates Z: 16 6.832 1.729 0.451 0.240 0.800 0.333 CB 1.187 8 residues pruned to eliminate duplicates Z: 7 5.459 1.548 0.144 0.834 1.000 0.833 O 0.943 7 residues pruned to eliminate duplicates Z: 18 29.749 1.885 0.794 0.951 1.000 0.941 CB 1.470 18 residues pruned to eliminate duplicates Z: 13 18.052 1.980 0.613 0.902 0.917 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 10 6.274 1.575 0.481 0.596 0.889 0.556 CB 0.921 Z: 16 20.797 1.880 0.736 0.846 0.933 0.867 CB 1.309 16 residues pruned to eliminate duplicates Z: 7 3.817 1.577 0.534 0.365 0.667 0.667 CB 1.118 Z: 19 19.809 1.816 0.497 0.903 0.944 0.889 CA 1.297 19 residues pruned to eliminate duplicates Z: 17 21.235 1.793 0.862 0.795 0.938 0.875 CA 1.310 17 residues pruned to eliminate duplicates Z: 17 19.059 1.838 0.630 0.734 0.875 0.562 CB 1.473 17 residues pruned to eliminate duplicates Z: 15 7.514 1.655 0.441 0.530 0.929 0.643 CB 0.881 Z: 7 9.385 1.609 0.489 0.782 1.000 0.833 CB 1.247 Z: 8 5.416 1.577 0.732 0.487 0.714 0.429 CB 1.063 Z: 20 17.415 1.909 0.576 0.528 0.947 0.632 CB 1.363 19 residues pruned to eliminate duplicates Z: 16 13.022 1.703 0.733 0.914 1.000 0.933 CB 0.805 16 residues pruned to eliminate duplicates Z: 25 12.977 1.725 0.445 0.544 1.000 0.542 CB 1.018 24 residues pruned to eliminate duplicates Z: 7 4.038 1.749 0.328 0.425 0.667 0.667 CA 1.151 7 residues pruned to eliminate duplicates Z: 15 21.858 2.022 0.590 0.762 0.929 0.571 CA 1.551 15 residues pruned to eliminate duplicates Z: 18 21.993 1.814 0.752 0.853 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 6 4.026 1.610 0.606 0.489 0.800 0.800 CB 0.880 Z: 17 19.256 1.842 0.620 0.729 1.000 0.562 CA 1.313 17 residues pruned to eliminate duplicates Z: 8 14.630 1.598 1.055 0.844 1.000 0.857 CA 1.252 8 residues pruned to eliminate duplicates Z: 7 12.994 1.932 0.581 0.764 1.000 0.667 CB 1.374 7 residues pruned to eliminate duplicates Z: 18 9.152 1.703 0.456 0.524 0.824 0.647 CB 1.062 16 residues pruned to eliminate duplicates Z: 9 6.523 1.490 0.446 0.817 1.000 0.875 CB 0.813 Z: 10 5.463 1.474 0.275 0.901 0.889 0.889 CB 0.778 9 residues pruned to eliminate duplicates Z: 15 14.873 1.826 0.263 0.892 0.929 0.786 CB 1.333 15 residues pruned to eliminate duplicates Z: 10 2.433 1.666 0.041 0.289 0.556 0.333 CB 1.066 9 residues pruned to eliminate duplicates Z: 21 20.262 1.688 1.006 0.722 0.950 0.650 CB 1.152 21 residues pruned to eliminate duplicates Z: 8 11.631 1.763 0.296 0.876 1.000 0.857 CA 1.398 8 residues pruned to eliminate duplicates Z: 9 9.526 1.671 0.331 0.877 1.000 1.000 CB 1.100 Z: 6 4.203 1.575 0.433 0.823 0.800 0.800 CB 0.787 Z: 6 4.352 1.618 0.265 0.443 0.800 0.600 CB 1.261 7 residues pruned to eliminate duplicates Z: 15 14.096 1.701 0.525 0.521 1.000 0.714 CA 1.422 11 residues pruned to eliminate duplicates Z: 7 3.835 1.801 -0.185 0.554 1.000 1.000 CB 1.011 Z: 7 4.431 1.576 0.628 0.432 1.000 0.500 CB 0.756 Z: 6 3.413 1.757 0.150 0.643 0.800 0.800 CB 0.826 6 residues pruned to eliminate duplicates Z: 13 20.064 1.785 0.779 0.911 1.000 0.750 CB 1.292 14 residues pruned to eliminate duplicates Z: 8 9.108 1.696 0.298 0.874 1.000 0.714 CB 1.138 Z: 53 18.057 1.805 0.479 0.357 0.865 0.500 CB 1.264 53 residues pruned to eliminate duplicates Z: 10 14.346 1.693 0.597 0.896 1.000 0.889 CB 1.267 11 residues pruned to eliminate duplicates Z: 11 10.558 1.617 0.438 0.865 1.000 0.900 CB 1.052 11 residues pruned to eliminate duplicates Z: 6 3.819 1.557 0.334 0.585 1.000 0.400 CB 0.758 Z: 6 8.800 1.743 0.475 0.823 1.000 1.000 CA 1.156 6 residues pruned to eliminate duplicates Z: 11 4.072 1.431 0.253 0.272 0.900 0.600 CA 1.034 Z: 10 9.078 1.641 0.717 0.746 0.667 0.556 CB 1.293 10 residues pruned to eliminate duplicates Z: 12 10.584 1.794 0.333 0.554 0.909 0.636 CB 1.392 11 residues pruned to eliminate duplicates Z: 7 3.559 1.555 0.375 0.406 0.667 0.500 CB 1.125 7 residues pruned to eliminate duplicates Z: 6 11.355 1.667 0.908 0.877 1.000 0.800 CB 1.159 7 residues pruned to eliminate duplicates Z: 8 11.638 1.769 0.677 0.566 1.000 0.857 CB 1.390 12 residues pruned to eliminate duplicates Z: 6 4.024 1.548 -0.114 0.477 1.000 0.200 O 1.343 Z: 11 4.313 1.604 0.339 0.321 0.800 0.400 CB 0.968 11 residues pruned to eliminate duplicates Z: 6 4.496 1.676 0.237 0.627 0.800 0.600 CB 1.076 Z: 6 2.285 1.429 0.264 0.296 0.600 0.400 O 1.184 Z: 8 3.135 1.553 0.439 0.451 0.857 0.571 CB 0.650 8 residues pruned to eliminate duplicates 6 1.195 1.618 -0.064 0.110 0.600 0.400 CB 0.964 ? Z: 7 2.988 1.538 0.177 0.565 0.667 0.667 CB 0.949 7 residues pruned to eliminate duplicates Z: 19 8.805 1.738 0.478 0.406 0.833 0.611 CB 1.070 19 residues pruned to eliminate duplicates Z: 9 3.855 1.502 0.275 0.289 0.750 0.500 N 1.203 Z: 18 19.270 1.836 0.338 0.886 0.941 0.824 CA 1.459 18 residues pruned to eliminate duplicates Z: 16 7.242 1.856 0.279 0.351 0.800 0.467 CB 1.158 16 residues pruned to eliminate duplicates Z: 23 16.430 1.795 0.501 0.599 0.864 0.591 CA 1.369 23 residues pruned to eliminate duplicates Z: 10 4.765 1.770 0.332 0.407 0.889 0.556 CB 0.835 10 residues pruned to eliminate duplicates 8 1.238 1.280 0.495 0.819 0.857 0.714 CB 0.216 ? Z: 12 5.051 1.640 0.513 0.288 0.636 0.455 CB 1.224 Z: 13 13.118 1.793 0.289 0.886 1.000 1.000 CB 1.182 13 residues pruned to eliminate duplicates Z: 15 13.327 1.917 0.315 0.825 0.929 0.714 CA 1.149 15 residues pruned to eliminate duplicates Z: 6 2.389 1.844 0.548 0.417 0.800 0.600 CB 0.511 6 residues pruned to eliminate duplicates Z: 16 19.852 1.865 0.518 0.903 0.933 0.867 CB 1.383 16 residues pruned to eliminate duplicates Z: 6 4.609 1.797 0.181 0.644 0.800 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 6 10.920 1.686 0.505 0.853 1.000 0.600 CA 1.423 6 residues pruned to eliminate duplicates Z: 7 5.387 1.445 0.623 0.670 0.833 0.667 CB 0.961 7 residues pruned to eliminate duplicates Z: 14 13.460 1.733 0.772 0.902 1.000 0.769 CB 0.867 14 residues pruned to eliminate duplicates Z: 6 3.051 1.736 -0.141 0.653 1.000 0.800 CB 0.794 6 residues pruned to eliminate duplicates Z: 8 2.210 1.590 0.402 0.216 0.714 0.429 CB 0.733 Z: 20 11.025 1.709 0.564 0.483 0.789 0.526 CB 1.219 20 residues pruned to eliminate duplicates Z: 14 18.073 1.792 0.547 0.924 1.000 0.846 CB 1.269 19 residues pruned to eliminate duplicates Z: 8 3.355 1.290 0.026 0.448 1.000 0.571 CB 1.011 Z: 9 3.788 1.419 0.500 0.333 0.750 0.625 CB 1.007 7 1.919 1.717 0.522 0.312 0.500 0.167 CB 0.738 ? Z: 14 12.810 1.865 0.153 0.891 1.000 0.615 CB 1.188 14 residues pruned to eliminate duplicates Z: 18 21.322 1.831 0.707 0.818 0.882 0.647 CB 1.423 18 residues pruned to eliminate duplicates Z: 7 8.125 1.616 0.210 0.769 1.000 1.000 N 1.337 6 residues pruned to eliminate duplicates Z: 10 7.864 1.717 0.039 0.874 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 6 2.118 1.557 0.279 0.376 0.800 0.400 CB 0.679 6 residues pruned to eliminate duplicates Z: 7 2.240 1.481 0.240 0.231 0.667 0.333 CB 1.022 Z: 26 21.598 1.917 0.547 0.620 0.840 0.720 CB 1.548 26 residues pruned to eliminate duplicates Z: 6 3.816 1.410 0.612 0.694 0.800 0.400 CB 0.786 Z: 22 20.284 1.840 0.725 0.726 0.905 0.571 CB 1.257 22 residues pruned to eliminate duplicates Z: 15 12.584 1.693 0.296 0.874 1.000 0.714 CB 1.116 15 residues pruned to eliminate duplicates Z: 10 5.588 1.567 0.454 0.874 1.000 0.556 CB 0.595 10 residues pruned to eliminate duplicates Z: 9 6.100 1.549 0.310 0.849 0.875 0.875 CB 0.901 9 residues pruned to eliminate duplicates Z: 6 4.804 1.544 0.333 0.623 0.800 0.200 N 1.162 6 residues pruned to eliminate duplicates Z: 16 27.204 1.946 0.750 0.932 1.000 0.867 CB 1.441 16 residues pruned to eliminate duplicates Z: 7 9.614 1.838 0.624 0.579 0.833 0.500 CB 1.462 Z: 12 11.354 1.886 0.425 0.776 1.000 0.818 CA 0.998 12 residues pruned to eliminate duplicates Z: 21 11.494 1.737 0.510 0.402 0.900 0.650 CB 1.207 25 residues pruned to eliminate duplicates Z: 22 8.337 1.608 0.479 0.341 0.810 0.571 CB 1.124 22 residues pruned to eliminate duplicates Z: 15 17.850 1.802 0.608 0.809 1.000 0.714 CA 1.257 15 residues pruned to eliminate duplicates Z: 7 20.483 2.002 1.214 0.900 1.000 0.833 CB 1.347 Z: 6 5.325 1.557 0.678 0.859 1.000 1.000 CB 0.671 6 residues pruned to eliminate duplicates Z: 19 19.091 1.765 0.706 0.854 0.889 0.667 CB 1.241 19 residues pruned to eliminate duplicates Z: 12 11.296 1.750 0.495 0.761 0.727 0.636 CB 1.420 12 residues pruned to eliminate duplicates Z: 9 2.226 1.398 0.444 0.240 0.625 0.375 CB 0.843 Z: 14 17.912 1.927 0.436 0.878 1.000 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 6 3.459 1.493 0.133 0.549 0.800 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 7 7.929 1.775 0.780 0.568 1.000 0.667 CB 0.959 7 residues pruned to eliminate duplicates 8 1.808 1.244 0.038 0.344 0.714 0.571 O 0.877 ? Z: 15 10.229 1.801 0.125 0.693 1.000 0.714 CA 1.130 15 residues pruned to eliminate duplicates Z: 21 17.702 1.906 0.725 0.508 0.900 0.700 CB 1.327 21 residues pruned to eliminate duplicates Z: 17 23.022 1.878 0.678 0.829 0.875 0.875 CB 1.570 16 residues pruned to eliminate duplicates Z: 22 20.423 1.752 0.592 0.697 0.952 0.619 CB 1.402 16 residues pruned to eliminate duplicates Z: 19 9.858 1.698 0.473 0.433 0.833 0.278 CB 1.195 7 residues pruned to eliminate duplicates Z: 16 14.056 1.855 0.387 0.861 0.933 0.800 CA 1.111 16 residues pruned to eliminate duplicates Z: 14 6.842 1.587 0.261 0.405 0.923 0.462 CB 1.134 14 residues pruned to eliminate duplicates Z: 15 11.532 1.897 0.465 0.425 1.000 0.571 CB 1.198 15 residues pruned to eliminate duplicates Z: 16 17.088 1.761 0.486 0.907 0.933 0.733 CB 1.283 16 residues pruned to eliminate duplicates 6 1.950 1.629 0.307 0.336 0.800 0.800 CB 0.613 ? Z: 7 7.933 1.666 0.670 0.644 0.833 0.500 CA 1.221 7 residues pruned to eliminate duplicates 7 0.756 1.451 0.737 0.793 0.833 0.667 CB 0.114 ? Z: 9 2.115 1.495 0.064 0.329 0.625 0.250 CB 0.908 Z: 9 11.791 1.779 0.527 0.883 0.875 0.875 CB 1.269 9 residues pruned to eliminate duplicates Z: 9 16.463 1.838 0.734 0.815 1.000 0.750 CA 1.389 8 residues pruned to eliminate duplicates Z: 18 13.582 1.938 0.839 0.422 0.882 0.706 CB 1.136 18 residues pruned to eliminate duplicates Z: 8 18.244 1.925 1.130 0.841 0.857 0.714 CA 1.463 8 residues pruned to eliminate duplicates Z: 6 4.615 1.709 0.800 0.789 0.600 0.400 CB 0.868 6 residues pruned to eliminate duplicates Z: 6 6.949 1.602 0.666 0.732 1.000 0.800 CB 0.945 5 residues pruned to eliminate duplicates Z: 18 22.528 1.839 0.751 0.906 0.882 0.824 CB 1.367 18 residues pruned to eliminate duplicates Z: 9 10.228 1.726 0.371 0.893 1.000 1.000 CB 1.097 9 residues pruned to eliminate duplicates Z: 21 27.561 1.955 0.859 0.746 0.900 0.750 CB 1.513 21 residues pruned to eliminate duplicates Z: 8 9.218 1.628 0.376 0.855 1.000 0.857 CB 1.148 8 residues pruned to eliminate duplicates Z: 10 10.576 1.786 0.330 0.884 1.000 0.889 CB 1.072 10 residues pruned to eliminate duplicates Z: 7 5.737 1.624 0.775 0.502 0.833 0.333 CB 0.973 Z: 17 14.004 1.998 0.613 0.449 0.812 0.562 CB 1.408 17 residues pruned to eliminate duplicates Z: 8 2.183 1.372 0.255 0.290 0.714 0.429 CB 0.849 8 residues pruned to eliminate duplicates Z: 13 6.651 1.783 0.430 0.345 0.917 0.583 CB 0.972 6 0.943 1.502 0.306 0.293 0.400 0.400 N 0.678 ? Z: 10 2.590 1.303 0.195 0.309 0.889 0.222 CB 0.771 Z: 14 25.497 1.880 0.917 0.855 0.923 0.692 CB 1.569 14 residues pruned to eliminate duplicates Z: 10 3.598 1.477 0.571 0.334 0.556 0.222 CB 1.115 8 residues pruned to eliminate duplicates Z: 8 4.990 1.550 0.923 0.588 0.571 0.286 O 1.017 8 residues pruned to eliminate duplicates Z: 10 4.839 1.604 0.365 0.237 0.778 0.444 CB 1.286 10 residues pruned to eliminate duplicates Z: 15 21.214 1.841 0.784 0.913 1.000 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 9 5.411 1.642 0.328 0.438 0.875 0.500 CB 1.069 Z: 8 10.886 1.801 0.371 0.882 1.000 0.857 CB 1.206 8 residues pruned to eliminate duplicates Z: 16 26.984 1.872 1.048 0.794 1.000 0.667 CB 1.405 16 residues pruned to eliminate duplicates Z: 11 3.413 1.505 0.626 0.150 0.800 0.400 CB 0.848 11 residues pruned to eliminate duplicates Z: 8 2.228 1.630 0.401 0.323 0.857 0.143 CB 0.522 Z: 6 3.274 1.546 0.419 0.670 1.000 0.600 CB 0.571 Z: 7 6.341 1.547 0.747 0.533 1.000 0.500 CB 0.926 6 residues pruned to eliminate duplicates Z: 15 11.516 1.916 0.459 0.606 0.857 0.643 CB 1.162 15 residues pruned to eliminate duplicates Z: 8 6.809 1.653 0.476 0.842 0.714 0.429 CB 1.100 8 residues pruned to eliminate duplicates Z: 17 8.648 1.699 0.455 0.537 0.688 0.375 CB 1.227 17 residues pruned to eliminate duplicates Z: 17 8.928 1.700 -0.111 0.890 1.000 0.812 CA 1.063 17 residues pruned to eliminate duplicates Z: 6 5.348 1.804 0.247 0.640 0.800 0.800 CA 1.166 Z: 26 19.998 1.976 0.468 0.630 0.920 0.760 CB 1.327 26 residues pruned to eliminate duplicates Z: 12 5.013 1.625 0.376 0.238 0.818 0.455 CB 1.119 12 residues pruned to eliminate duplicates Z: 9 3.093 1.482 0.169 0.206 0.875 0.500 CB 1.022 4 residues pruned to eliminate duplicates Z: 6 3.063 1.320 0.322 0.292 1.000 0.400 CB 0.992 6 1.475 1.347 0.159 0.364 0.800 0.400 CA 0.611 ? Z: 9 7.737 1.936 0.414 0.411 0.750 0.750 CA 1.463 9 residues pruned to eliminate duplicates Z: 6 3.210 1.540 0.020 0.616 0.800 0.400 N 1.023 Z: 12 6.463 1.374 0.653 0.500 0.818 0.545 CA 1.048 Z: 12 6.460 1.622 0.438 0.463 0.727 0.545 CB 1.192 12 residues pruned to eliminate duplicates Z: 10 3.100 1.625 0.480 0.325 0.667 0.444 CB 0.781 8 1.254 1.255 0.221 0.281 0.571 0.286 N 0.694 ? Z: 6 5.559 1.708 0.337 0.839 1.000 0.800 CB 0.813 6 residues pruned to eliminate duplicates Z: 6 5.294 1.634 0.581 0.405 1.000 0.400 CB 1.013 6 residues pruned to eliminate duplicates Z: 8 2.030 1.386 0.131 0.435 0.857 0.571 CB 0.611 6 residues pruned to eliminate duplicates Z: 13 12.187 1.893 0.536 0.502 0.917 0.667 CB 1.318 13 residues pruned to eliminate duplicates Z: 6 4.834 1.776 1.037 0.803 0.600 0.200 CB 0.764 6 residues pruned to eliminate duplicates Z: 8 3.243 1.549 0.362 0.347 0.571 0.571 CB 1.200 Z: 8 3.094 1.483 0.266 0.256 1.000 0.143 CB 0.825 Z: 9 10.866 1.862 0.541 0.751 1.000 0.500 CA 1.070 9 residues pruned to eliminate duplicates Z: 22 9.992 1.535 0.527 0.448 0.857 0.381 CB 1.144 6 1.845 1.516 -0.118 0.456 0.800 0.800 CB 0.807 ? Z: 14 18.668 1.746 0.589 0.903 1.000 0.923 CB 1.330 14 residues pruned to eliminate duplicates Z: 7 8.685 1.652 0.445 0.582 1.000 0.667 CA 1.374 Z: 16 15.787 1.866 0.311 0.858 1.000 0.600 CB 1.227 16 residues pruned to eliminate duplicates Z: 21 22.979 1.961 0.541 0.758 1.000 0.750 CB 1.352 21 residues pruned to eliminate duplicates Z: 8 2.613 1.463 0.207 0.331 0.714 0.571 N 0.942 Z: 8 7.335 1.653 0.016 0.846 1.000 0.714 CB 1.227 8 residues pruned to eliminate duplicates 7 1.736 1.466 0.256 0.227 0.500 0.333 N 1.059 ? Z: 8 10.028 1.728 0.446 0.846 0.857 0.857 CB 1.316 8 residues pruned to eliminate duplicates Z: 15 6.364 1.614 0.328 0.267 0.857 0.357 CB 1.207 15 residues pruned to eliminate duplicates Z: 6 7.663 1.662 0.615 0.538 1.000 1.000 O 1.230 7 residues pruned to eliminate duplicates Z: 32 22.966 1.927 0.421 0.631 0.903 0.774 CA 1.474 32 residues pruned to eliminate duplicates Z: 19 18.430 1.763 0.330 0.911 1.000 0.944 CA 1.313 19 residues pruned to eliminate duplicates Z: 17 22.703 1.853 0.628 0.896 0.938 0.875 CB 1.438 17 residues pruned to eliminate duplicates Z: 8 2.267 1.597 -0.035 0.262 0.714 0.429 CB 1.022 Z: 9 5.967 1.412 0.323 0.591 0.875 0.625 CA 1.183 Z: 9 8.405 1.847 0.721 0.493 0.750 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 9 8.983 1.620 0.384 0.773 1.000 0.500 CB 1.113 9 residues pruned to eliminate duplicates Z: 9 2.734 1.395 0.412 0.433 0.625 0.250 CB 0.841 6 1.596 1.196 0.457 0.299 0.800 0.800 CB 0.640 ? Z: 9 11.348 1.712 0.313 0.881 1.000 1.000 CB 1.292 9 residues pruned to eliminate duplicates Z: 9 7.492 1.424 1.060 0.458 1.000 0.625 CB 0.942 Z: 10 7.516 1.628 0.391 0.446 1.000 0.667 CB 1.170 6 1.063 1.457 -0.070 0.392 0.600 0.400 CB 0.656 ? Z: 9 4.022 1.627 0.446 0.395 0.750 0.375 CB 0.901 9 residues pruned to eliminate duplicates Z: 39 21.614 1.953 0.370 0.504 0.895 0.605 CB 1.458 39 residues pruned to eliminate duplicates Z: 17 23.495 1.943 0.965 0.694 0.875 0.812 CA 1.473 17 residues pruned to eliminate duplicates Z: 15 19.659 1.982 0.475 0.893 1.000 0.786 CA 1.290 15 residues pruned to eliminate duplicates Z: 6 5.812 1.741 0.155 0.657 1.000 0.400 CB 1.117 6 residues pruned to eliminate duplicates Z: 10 5.131 1.680 0.281 0.230 0.778 0.333 CB 1.400 10 residues pruned to eliminate duplicates Z: 7 3.880 1.694 0.595 0.433 0.667 0.333 CB 0.943 Z: 19 8.973 1.685 0.314 0.452 0.833 0.444 CB 1.205 19 residues pruned to eliminate duplicates Z: 39 26.178 1.880 0.554 0.592 0.974 0.711 CB 1.367 41 residues pruned to eliminate duplicates Z: 6 7.691 1.854 0.417 0.583 0.800 0.800 CB 1.510 Z: 10 12.690 1.723 0.578 0.879 1.000 0.889 CB 1.128 10 residues pruned to eliminate duplicates Z: 6 6.291 1.614 0.408 0.704 1.000 0.200 N 1.028 6 residues pruned to eliminate duplicates Z: 8 3.987 1.684 0.010 0.544 0.857 0.429 CB 0.990 Z: 11 11.469 1.534 0.676 0.901 1.000 0.800 CB 1.007 11 residues pruned to eliminate duplicates 6 0.763 1.125 0.896 0.296 0.600 0.400 CB 0.335 ? 9 1.431 1.301 0.113 0.254 0.625 0.250 CB 0.741 ? Z: 6 2.871 1.319 0.232 0.428 1.000 0.600 C 0.852 7 residues pruned to eliminate duplicates Z: 14 17.286 1.817 0.470 0.870 0.923 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 7 6.999 1.570 0.801 0.304 1.000 0.500 CA 1.257 Z: 6 2.615 1.566 0.193 0.276 0.800 0.400 CA 1.008 Z: 25 14.902 1.812 0.418 0.557 0.875 0.667 CB 1.279 25 residues pruned to eliminate duplicates Z: 33 19.889 1.943 0.778 0.470 0.906 0.625 CB 1.158 33 residues pruned to eliminate duplicates 6 1.070 1.385 0.094 0.295 0.400 0.400 N 0.993 ? Z: 15 4.687 1.565 0.303 0.376 0.786 0.429 CB 0.892 13 residues pruned to eliminate duplicates Z: 6 5.225 1.281 0.516 0.871 1.000 1.000 CA 0.878 Z: 11 4.724 1.613 0.239 0.439 0.800 0.500 CB 0.996 17 residues pruned to eliminate duplicates Z: 18 15.099 1.623 0.474 0.884 1.000 0.706 CB 1.107 18 residues pruned to eliminate duplicates Z: 23 13.105 1.695 0.487 0.499 0.864 0.500 CB 1.285 35 residues pruned to eliminate duplicates Z: 8 3.501 1.162 0.936 0.440 0.714 0.286 CB 0.876 Z: 13 5.590 1.596 0.048 0.456 0.833 0.500 CB 1.210 11 residues pruned to eliminate duplicates Z: 8 4.672 1.712 0.739 0.258 0.571 0.286 CB 1.370 Z: 7 4.240 1.739 -0.100 0.486 1.000 0.333 CB 1.121 Z: 10 2.935 1.356 0.945 0.078 0.778 0.444 N 0.825 Z: 7 4.025 1.646 -0.011 0.620 0.833 0.667 CB 1.081 Z: 9 3.350 1.377 0.699 0.307 0.625 0.500 CB 1.003 Z: 7 4.564 1.517 0.379 0.291 0.833 0.333 O 1.351 4 residues pruned to eliminate duplicates Z: 13 8.070 1.618 0.152 0.530 0.917 0.500 CB 1.324 14 residues pruned to eliminate duplicates Z: 9 2.468 1.672 0.687 0.099 0.625 0.125 CB 0.826 8 residues pruned to eliminate duplicates Z: 11 7.352 1.684 0.297 0.365 0.900 0.600 CB 1.367 5 residues pruned to eliminate duplicates Z: 11 13.509 1.774 0.610 0.923 1.000 0.900 CB 1.051 11 residues pruned to eliminate duplicates Z: 7 3.855 1.248 0.651 0.563 1.000 0.667 CA 0.719 6 residues pruned to eliminate duplicates Z: 10 6.328 1.602 0.247 0.481 0.889 0.444 CB 1.210 10 residues pruned to eliminate duplicates Z: 16 18.450 1.938 0.469 0.882 1.000 0.800 CA 1.210 16 residues pruned to eliminate duplicates Z: 7 20.133 2.136 0.861 0.877 1.000 1.000 CA 1.502 7 residues pruned to eliminate duplicates Z: 7 6.925 1.507 0.489 0.791 0.833 0.833 CB 1.171 7 residues pruned to eliminate duplicates Z: 17 16.375 1.726 0.712 0.686 1.000 0.812 CA 1.167 17 residues pruned to eliminate duplicates Z: 82 27.657 1.916 0.436 0.474 0.901 0.642 CB 1.273 82 residues pruned to eliminate duplicates Z: 11 15.870 1.897 0.459 0.923 1.000 1.000 CA 1.274 11 residues pruned to eliminate duplicates Z: 8 3.930 1.646 0.055 0.550 0.714 0.429 N 1.141 8 residues pruned to eliminate duplicates Z: 6 3.742 1.269 0.134 0.800 1.000 0.800 O 0.894 6 residues pruned to eliminate duplicates Z: 19 28.465 1.827 0.909 0.911 1.000 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 12 6.459 1.410 0.205 0.849 0.909 0.364 CB 0.934 8 residues pruned to eliminate duplicates Z: 16 8.936 1.648 0.469 0.422 0.800 0.533 N 1.291 16 residues pruned to eliminate duplicates Z: 9 5.389 1.488 0.379 0.519 0.875 0.625 CB 1.041 Z: 8 6.857 1.736 0.218 0.738 0.857 0.571 CB 1.155 8 residues pruned to eliminate duplicates 7 0.942 1.499 0.055 0.352 0.667 0.500 CB 0.429 ? Z: 10 5.296 1.701 0.002 0.607 1.000 0.444 CB 0.936 8 residues pruned to eliminate duplicates Z: 12 5.811 1.533 0.524 0.301 0.818 0.455 N 1.145 7 residues pruned to eliminate duplicates Z: 9 4.461 1.516 0.325 0.377 0.875 0.500 CB 1.023 9 residues pruned to eliminate duplicates Z: 9 10.918 1.482 1.045 0.864 1.000 0.500 CB 0.934 9 residues pruned to eliminate duplicates Z: 8 3.212 1.452 0.428 0.268 0.857 0.429 CB 0.890 Z: 17 18.360 1.748 0.599 0.808 0.938 0.688 CA 1.339 17 residues pruned to eliminate duplicates Z: 43 17.579 1.881 0.488 0.349 0.881 0.524 CB 1.295 43 residues pruned to eliminate duplicates Z: 8 2.315 1.568 -0.262 0.472 0.714 0.571 CB 1.089 Z: 11 9.461 1.499 0.449 0.930 1.000 0.900 CB 0.963 11 residues pruned to eliminate duplicates Z: 32 18.548 1.812 0.463 0.507 0.935 0.806 CB 1.334 32 residues pruned to eliminate duplicates Z: 7 3.316 1.405 0.579 0.229 1.000 0.167 CB 0.838 Z: 16 31.340 2.115 0.791 0.758 1.000 0.533 CB 1.699 16 residues pruned to eliminate duplicates Z: 14 8.101 1.603 0.870 0.452 0.692 0.462 CB 1.137 Z: 23 15.361 1.851 0.665 0.478 0.818 0.591 CB 1.328 23 residues pruned to eliminate duplicates Z: 6 8.433 1.427 0.729 0.798 1.000 0.800 CA 1.177 Z: 8 3.122 1.304 0.739 0.295 0.857 0.571 CA 0.764 Z: 20 20.918 1.808 0.739 0.639 0.947 0.526 CB 1.415 20 residues pruned to eliminate duplicates Z: 8 3.253 1.419 0.534 0.373 0.571 0.571 CB 1.133 8 residues pruned to eliminate duplicates Z: 6 3.145 1.402 0.686 0.140 0.800 0.400 C 1.162 Z: 11 5.329 1.520 0.133 0.554 0.900 0.700 CB 1.031 6 residues pruned to eliminate duplicates Z: 11 11.068 1.783 0.614 0.525 0.900 0.600 CB 1.319 Z: 6 3.462 1.420 0.836 0.334 0.800 0.600 N 0.891 6 residues pruned to eliminate duplicates Z: 10 6.763 1.793 0.401 0.442 0.778 0.667 CB 1.225 8 residues pruned to eliminate duplicates Z: 8 5.108 1.473 0.206 0.690 1.000 0.714 CB 0.913 Z: 8 8.860 1.488 0.828 0.707 0.857 0.571 CB 1.190 9 residues pruned to eliminate duplicates Z: 6 4.605 1.650 0.369 0.378 1.000 0.600 N 1.038 6 residues pruned to eliminate duplicates Z: 9 8.794 1.762 0.360 0.761 1.000 0.750 CA 1.030 9 residues pruned to eliminate duplicates Z: 8 11.345 1.662 0.463 0.898 1.000 1.000 CA 1.261 8 residues pruned to eliminate duplicates Z: 11 4.312 1.456 0.011 0.557 0.800 0.700 CB 1.096 9 residues pruned to eliminate duplicates Z: 15 26.252 1.831 1.139 0.927 1.000 0.857 CB 1.256 15 residues pruned to eliminate duplicates Z: 13 7.339 1.545 0.567 0.554 0.833 0.667 CB 0.997 Z: 6 2.714 1.636 0.314 0.401 0.600 0.600 CB 1.045 6 residues pruned to eliminate duplicates Z: 7 3.213 1.449 0.833 0.673 0.667 0.333 CB 0.632 7 residues pruned to eliminate duplicates Z: 10 11.604 1.855 0.550 0.676 0.889 0.889 CB 1.287 10 residues pruned to eliminate duplicates Z: 14 15.418 1.837 0.359 0.859 0.923 0.846 CB 1.366 14 residues pruned to eliminate duplicates Z: 6 4.596 1.761 0.116 0.621 0.800 0.600 CB 1.166 Z: 14 21.719 1.864 0.867 0.886 1.000 0.769 CB 1.250 14 residues pruned to eliminate duplicates Z: 8 2.871 1.419 0.427 0.503 0.714 0.571 CB 0.748 6 1.798 1.490 -0.249 0.416 0.800 0.600 CB 0.980 ? Z: 25 16.009 1.883 0.470 0.418 0.875 0.583 CB 1.470 25 residues pruned to eliminate duplicates 7 1.489 1.282 0.199 0.348 0.667 0.333 CB 0.700 ? Z: 11 4.297 1.514 0.190 0.497 0.800 0.400 CB 0.946 11 residues pruned to eliminate duplicates Z: 6 6.415 1.623 1.259 0.857 1.000 0.800 CB 0.577 6 residues pruned to eliminate duplicates Z: 6 4.677 1.710 0.699 0.472 0.600 0.600 CB 1.235 6 residues pruned to eliminate duplicates 6 1.280 1.458 0.526 0.113 0.400 0.200 CA 1.049 ? Z: 10 4.693 1.640 0.486 0.287 0.778 0.444 CB 1.049 10 residues pruned to eliminate duplicates Z: 12 5.840 1.575 0.267 0.330 0.818 0.636 CA 1.298 12 residues pruned to eliminate duplicates Z: 7 7.067 2.064 0.379 0.407 0.833 0.667 CA 1.342 7 residues pruned to eliminate duplicates 9 1.578 1.289 -0.008 0.335 0.625 0.250 CB 0.837 ? Z: 7 2.430 1.372 0.070 0.414 0.667 0.667 N 1.109 Z: 6 2.987 1.315 0.250 0.666 1.000 0.600 CB 0.697 Z: 10 7.565 1.638 0.423 0.563 0.889 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 6 6.253 1.877 0.693 0.589 0.800 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 7 2.594 1.324 0.176 0.377 0.667 0.667 O 1.162 Z: 7 3.732 1.502 0.156 0.532 0.833 0.833 N 1.021 7 residues pruned to eliminate duplicates Z: 10 10.544 1.809 0.589 0.555 0.889 0.444 CB 1.304 10 residues pruned to eliminate duplicates Z: 20 24.815 1.754 0.707 0.878 1.000 0.789 CB 1.380 20 residues pruned to eliminate duplicates Z: 9 8.239 1.572 0.497 0.840 0.875 0.875 CB 1.055 9 residues pruned to eliminate duplicates Z: 25 10.863 1.699 0.391 0.433 0.917 0.708 CB 1.098 25 residues pruned to eliminate duplicates Z: 14 6.176 1.747 -0.159 0.811 0.923 0.769 CB 0.963 14 residues pruned to eliminate duplicates Z: 9 3.896 1.757 0.062 0.443 0.875 0.500 CB 0.894 9 residues pruned to eliminate duplicates Z: 8 11.851 1.688 0.788 0.818 0.857 0.571 CA 1.313 8 residues pruned to eliminate duplicates Z: 19 26.822 1.967 0.725 0.798 1.000 0.667 CB 1.436 19 residues pruned to eliminate duplicates Z: 10 4.836 1.364 0.544 0.512 0.778 0.444 O 0.972 Z: 8 7.376 1.656 0.041 0.840 1.000 0.571 CB 1.207 8 residues pruned to eliminate duplicates Z: 25 10.855 1.714 0.423 0.450 0.833 0.500 CB 1.147 16 residues pruned to eliminate duplicates Z: 8 8.771 1.428 0.755 0.867 1.000 0.857 CB 0.967 8 residues pruned to eliminate duplicates Z: 7 3.471 1.529 0.371 0.425 0.667 0.500 CB 1.096 5 residues pruned to eliminate duplicates Z: 6 2.189 1.732 -0.132 0.463 0.800 0.400 CB 0.845 6 residues pruned to eliminate duplicates Z: 8 2.357 1.492 0.231 0.307 0.714 0.571 CB 0.841 6 1.762 1.259 0.148 0.289 0.600 0.400 CB 1.152 ? Z: 8 2.546 1.026 0.621 0.402 0.857 0.571 CB 0.749 Z: 9 8.021 1.833 0.363 0.891 0.875 0.750 CB 0.933 9 residues pruned to eliminate duplicates Z: 18 12.808 1.987 0.735 0.409 0.882 0.765 CB 1.123 18 residues pruned to eliminate duplicates Z: 6 7.814 1.433 0.516 0.820 1.000 0.600 CA 1.219 6 residues pruned to eliminate duplicates Z: 9 7.439 1.788 0.236 0.635 0.875 0.875 CA 1.198 8 residues pruned to eliminate duplicates Z: 8 4.713 1.273 0.704 0.526 1.000 0.571 CB 0.801 Z: 7 6.937 1.510 0.459 0.778 1.000 0.500 CB 1.006 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 25.448 1.916 0.460 0.917 1.000 0.867 CB 1.657 16 residues pruned to eliminate duplicates Z: 17 26.568 1.910 0.522 0.904 1.000 0.875 CA 1.627 17 residues pruned to eliminate duplicates Z: 19 21.805 1.877 0.565 0.693 0.944 0.722 CA 1.554 19 residues pruned to eliminate duplicates Z: 17 25.566 2.015 0.694 0.700 0.938 0.875 CB 1.664 17 residues pruned to eliminate duplicates Z: 16 33.116 1.969 0.832 0.931 1.000 0.933 CB 1.657 16 residues pruned to eliminate duplicates Z: 16 25.871 1.953 0.710 0.901 0.933 0.867 CB 1.530 16 residues pruned to eliminate duplicates Z: 20 22.552 1.845 0.651 0.757 0.895 0.632 CB 1.510 20 residues pruned to eliminate duplicates Z: 15 22.313 1.916 0.686 0.906 0.929 0.571 CB 1.414 15 residues pruned to eliminate duplicates Z: 15 30.074 1.992 0.807 0.939 1.000 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 24 21.253 1.851 0.677 0.614 0.826 0.565 CB 1.551 24 residues pruned to eliminate duplicates Z: 15 24.783 1.920 0.823 0.910 1.000 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 18 23.888 1.909 0.773 0.727 0.882 0.294 CB 1.582 19 residues pruned to eliminate duplicates Z: 17 27.041 1.926 0.816 0.908 0.938 0.625 CB 1.465 17 residues pruned to eliminate duplicates Z: 17 24.480 1.931 0.843 0.881 0.938 0.625 CB 1.329 17 residues pruned to eliminate duplicates Z: 21 16.625 1.801 0.746 0.653 0.850 0.400 CB 1.206 21 residues pruned to eliminate duplicates Z: 6 4.160 1.839 0.224 0.624 0.800 0.800 CB 0.919 4 residues pruned to eliminate duplicates Z: 9 10.885 1.991 0.291 0.866 1.000 0.750 CB 1.097 9 residues pruned to eliminate duplicates Z: 10 13.407 1.948 0.314 0.862 1.000 0.778 CB 1.282 9 residues pruned to eliminate duplicates Z: 10 11.339 1.847 0.357 0.851 1.000 0.889 CB 1.116 10 residues pruned to eliminate duplicates Z: 15 9.839 1.797 0.901 0.450 0.857 0.429 CB 0.946 15 residues pruned to eliminate duplicates Z: 13 8.548 1.783 0.449 0.569 0.833 0.667 CB 1.073 13 residues pruned to eliminate duplicates Z: 11 11.320 1.872 0.641 0.715 0.900 0.800 CA 1.066 11 residues pruned to eliminate duplicates Z: 10 15.577 2.015 0.625 0.820 1.000 0.889 CB 1.202 11 residues pruned to eliminate duplicates Z: 11 12.095 1.769 0.611 0.853 1.000 0.800 CA 0.992 11 residues pruned to eliminate duplicates Z: 9 13.875 1.851 0.498 0.844 1.000 0.750 CA 1.316 9 residues pruned to eliminate duplicates Z: 17 20.586 1.992 0.488 0.669 1.000 0.812 CA 1.485 26 residues pruned to eliminate duplicates Z: 18 16.420 1.934 0.525 0.580 0.941 0.765 CB 1.329 18 residues pruned to eliminate duplicates Z: 18 16.597 1.949 0.524 0.556 0.941 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 18 16.383 1.938 0.507 0.511 0.941 0.529 CB 1.429 18 residues pruned to eliminate duplicates Z: 17 18.283 1.940 0.440 0.678 1.000 0.750 CB 1.389 17 residues pruned to eliminate duplicates Z: 17 16.478 1.981 0.329 0.622 1.000 0.625 CA 1.394 17 residues pruned to eliminate duplicates Z: 24 19.021 1.764 0.737 0.570 0.826 0.391 N 1.464 28 residues pruned to eliminate duplicates Z: 24 19.965 1.776 0.615 0.749 0.870 0.565 CB 1.336 24 residues pruned to eliminate duplicates Z: 7 4.987 1.644 0.778 0.368 0.833 0.833 CB 0.963 6 residues pruned to eliminate duplicates Z: 6 2.374 1.671 0.369 0.418 0.800 0.600 CB 0.632 6 residues pruned to eliminate duplicates Z: 7 3.332 1.780 0.429 0.354 0.667 0.333 CB 0.939 7 residues pruned to eliminate duplicates Z: 10 3.245 1.530 0.274 0.248 0.667 0.333 CB 1.112 Z: 9 11.612 1.753 0.666 0.570 1.000 0.625 CA 1.314 9 residues pruned to eliminate duplicates Z: 13 10.575 1.872 0.449 0.451 0.917 0.500 CB 1.291 13 residues pruned to eliminate duplicates Z: 22 16.548 1.891 0.811 0.530 0.810 0.619 CB 1.264 22 residues pruned to eliminate duplicates Z: 22 17.245 1.875 0.673 0.532 0.857 0.667 CA 1.356 22 residues pruned to eliminate duplicates Z: 22 18.288 1.904 0.725 0.506 0.952 0.810 CB 1.268 21 residues pruned to eliminate duplicates Z: 8 9.399 1.749 0.446 0.584 1.000 0.714 CB 1.295 8 residues pruned to eliminate duplicates Z: 22 18.263 1.925 0.875 0.476 0.857 0.667 CB 1.320 22 residues pruned to eliminate duplicates Z: 6 3.675 1.320 0.502 0.419 1.000 0.800 CB 0.902 6 residues pruned to eliminate duplicates Z: 22 20.524 1.893 0.846 0.525 0.952 0.714 CB 1.314 22 residues pruned to eliminate duplicates Z: 6 5.824 1.471 0.954 0.403 1.000 0.400 CB 1.004 10 residues pruned to eliminate duplicates Z: 6 3.360 1.376 0.249 0.400 1.000 0.600 O 0.971 6 residues pruned to eliminate duplicates Z: 16 6.655 1.643 0.247 0.254 0.867 0.333 CA 1.284 11 residues pruned to eliminate duplicates Z: 11 11.525 1.837 0.592 0.749 0.900 0.700 CB 1.109 11 residues pruned to eliminate duplicates Z: 17 7.830 1.634 0.544 0.590 0.875 0.688 CB 0.813 17 residues pruned to eliminate duplicates Z: 15 8.924 1.713 0.462 0.565 0.857 0.429 CB 1.043 15 residues pruned to eliminate duplicates Z: 14 12.602 1.771 0.409 0.704 1.000 0.615 CB 1.163 14 residues pruned to eliminate duplicates Z: 14 12.582 1.756 0.674 0.613 0.923 0.692 CB 1.155 14 residues pruned to eliminate duplicates Z: 15 10.908 1.728 0.626 0.573 0.929 0.571 CB 1.041 15 residues pruned to eliminate duplicates Z: 15 13.156 1.693 0.596 0.639 0.929 0.714 CB 1.230 15 residues pruned to eliminate duplicates Z: 13 10.084 1.756 0.653 0.637 0.917 0.583 CB 0.962 13 residues pruned to eliminate duplicates Z: 16 15.673 1.891 0.473 0.777 0.800 0.667 CB 1.423 16 residues pruned to eliminate duplicates Z: 16 15.597 1.912 0.301 0.728 0.933 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 19 15.766 1.863 0.459 0.636 0.889 0.667 CB 1.353 19 residues pruned to eliminate duplicates Z: 14 11.412 1.661 0.522 0.598 0.923 0.462 CA 1.236 14 residues pruned to eliminate duplicates Z: 16 18.597 1.967 0.392 0.790 1.000 0.867 CB 1.359 16 residues pruned to eliminate duplicates Z: 22 18.957 1.832 0.532 0.643 0.952 0.714 CB 1.354 22 residues pruned to eliminate duplicates Z: 12 17.505 1.824 0.696 0.760 1.000 0.727 CB 1.354 12 residues pruned to eliminate duplicates Z: 14 11.257 1.809 0.494 0.735 0.846 0.769 CB 1.105 14 residues pruned to eliminate duplicates Z: 12 14.798 1.929 0.610 0.773 0.909 0.727 CB 1.241 12 residues pruned to eliminate duplicates Z: 18 9.928 1.751 0.577 0.417 0.824 0.353 CB 1.155 18 residues pruned to eliminate duplicates Z: 7 10.579 1.987 0.530 0.725 0.833 0.833 CB 1.391 7 residues pruned to eliminate duplicates Z: 18 18.443 1.858 0.493 0.729 0.941 0.647 CB 1.394 18 residues pruned to eliminate duplicates Z: 13 13.898 1.851 0.645 0.723 0.833 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 22 22.094 1.789 0.635 0.770 1.000 0.714 CB 1.298 22 residues pruned to eliminate duplicates Z: 6 4.232 1.503 0.387 0.484 0.800 0.600 N 1.153 Z: 6 7.689 1.852 0.406 0.781 1.000 0.800 CB 1.030 7 residues pruned to eliminate duplicates Z: 9 7.420 1.496 0.688 0.772 1.000 0.625 CB 0.816 7 residues pruned to eliminate duplicates Z: 7 6.576 1.613 0.640 0.782 0.833 0.500 CB 0.950 7 residues pruned to eliminate duplicates Z: 8 6.415 1.715 0.388 0.603 0.857 0.429 CB 1.077 8 residues pruned to eliminate duplicates Z: 8 4.593 1.670 0.151 0.642 1.000 0.571 CB 0.791 8 residues pruned to eliminate duplicates Z: 16 11.546 1.765 0.242 0.774 0.933 0.733 CA 1.145 16 residues pruned to eliminate duplicates Z: 23 14.655 1.707 0.595 0.539 0.864 0.636 CB 1.278 23 residues pruned to eliminate duplicates Z: 23 15.073 1.764 0.406 0.608 0.864 0.636 CA 1.353 23 residues pruned to eliminate duplicates Z: 15 22.973 1.907 0.806 0.837 1.000 0.786 CA 1.334 15 residues pruned to eliminate duplicates Z: 24 19.949 1.787 0.607 0.654 0.913 0.739 CA 1.374 24 residues pruned to eliminate duplicates Z: 14 23.471 1.933 0.634 0.899 1.000 0.846 CA 1.473 14 residues pruned to eliminate duplicates Z: 15 20.992 1.912 0.725 0.733 0.929 0.714 CA 1.485 15 residues pruned to eliminate duplicates Z: 22 22.114 1.846 0.610 0.750 0.952 0.762 CA 1.364 22 residues pruned to eliminate duplicates Z: 19 22.002 1.787 0.498 0.904 1.000 0.833 CA 1.380 19 residues pruned to eliminate duplicates Z: 38 27.925 1.849 0.770 0.547 0.946 0.649 CB 1.417 36 residues pruned to eliminate duplicates Z: 19 25.176 1.808 0.696 0.907 1.000 0.833 CA 1.375 19 residues pruned to eliminate duplicates Z: 39 25.466 1.867 0.723 0.542 0.895 0.658 CB 1.378 39 residues pruned to eliminate duplicates Z: 20 20.870 1.812 0.754 0.741 0.895 0.737 CB 1.357 20 residues pruned to eliminate duplicates Z: 26 20.896 1.841 0.460 0.709 0.960 0.800 CB 1.340 26 residues pruned to eliminate duplicates Z: 22 22.217 1.762 0.732 0.796 0.905 0.810 CB 1.355 22 residues pruned to eliminate duplicates Z: 25 19.916 1.834 0.499 0.724 0.917 0.667 CB 1.318 25 residues pruned to eliminate duplicates Z: 10 4.985 1.686 0.116 0.460 0.889 0.556 CB 1.034 10 residues pruned to eliminate duplicates Z: 8 4.220 1.309 0.459 0.493 1.000 0.429 C 0.841 16 residues pruned to eliminate duplicates Z: 7 5.014 1.798 0.064 0.565 0.833 0.833 CB 1.205 Z: 7 3.998 1.346 0.127 0.592 1.000 0.333 CA 0.985 7 residues pruned to eliminate duplicates Z: 6 3.622 1.325 0.245 0.757 0.800 0.800 N 0.976 6 residues pruned to eliminate duplicates Z: 8 3.709 1.456 0.360 0.371 0.714 0.571 CB 1.137 6 residues pruned to eliminate duplicates 7 1.994 1.264 0.404 0.455 0.667 0.333 CB 0.720 ? Z: 6 5.686 1.651 0.856 0.305 1.000 0.800 N 1.031 6 residues pruned to eliminate duplicates Z: 14 7.964 1.619 0.466 0.363 1.000 0.769 CB 1.079 13 residues pruned to eliminate duplicates Z: 7 3.932 1.449 0.510 0.485 1.000 1.000 CB 0.745 Z: 21 21.304 1.915 0.510 0.786 1.000 0.750 CA 1.281 21 residues pruned to eliminate duplicates Z: 31 20.303 1.953 0.380 0.570 0.933 0.700 CB 1.377 36 residues pruned to eliminate duplicates Z: 16 22.332 2.034 0.495 0.919 1.000 1.000 CA 1.336 16 residues pruned to eliminate duplicates Z: 15 11.177 1.826 0.284 0.572 0.929 0.429 CA 1.280 15 residues pruned to eliminate duplicates Z: 30 23.584 1.963 0.533 0.541 1.000 0.655 CB 1.398 30 residues pruned to eliminate duplicates Z: 24 26.501 1.953 0.613 0.748 1.000 0.826 CA 1.405 24 residues pruned to eliminate duplicates Z: 28 20.903 1.874 0.578 0.673 0.889 0.778 CA 1.304 28 residues pruned to eliminate duplicates Z: 23 19.522 1.949 0.575 0.655 0.864 0.636 CA 1.359 23 residues pruned to eliminate duplicates Z: 25 21.757 1.933 0.534 0.706 0.958 0.708 CA 1.296 25 residues pruned to eliminate duplicates Z: 23 21.995 1.919 0.547 0.698 0.955 0.682 CB 1.382 23 residues pruned to eliminate duplicates Z: 23 16.481 1.871 0.461 0.609 0.864 0.591 CB 1.342 23 residues pruned to eliminate duplicates Z: 18 22.943 1.935 0.684 0.772 0.941 0.882 CB 1.427 18 residues pruned to eliminate duplicates Z: 19 22.783 1.924 0.703 0.751 0.944 0.611 CB 1.387 19 residues pruned to eliminate duplicates Z: 17 24.368 1.995 0.625 0.805 1.000 0.812 CA 1.440 17 residues pruned to eliminate duplicates Z: 21 20.998 1.971 0.567 0.715 0.950 0.700 CB 1.317 21 residues pruned to eliminate duplicates Z: 19 23.190 1.906 0.530 0.813 1.000 0.722 N 1.427 19 residues pruned to eliminate duplicates Z: 6 4.264 1.789 0.208 0.294 0.800 0.400 CB 1.390 6 residues pruned to eliminate duplicates Z: 6 3.870 1.702 0.223 0.295 0.800 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 7 5.530 1.782 0.064 0.660 0.833 0.833 CB 1.231 7 residues pruned to eliminate duplicates Z: 6 7.629 1.823 0.356 0.710 0.800 0.800 CB 1.426 6 residues pruned to eliminate duplicates Z: 8 5.432 1.645 0.344 0.602 0.714 0.714 CA 1.180 8 residues pruned to eliminate duplicates Z: 8 6.783 1.701 0.416 0.328 1.000 0.286 CB 1.285 6 residues pruned to eliminate duplicates 6 1.687 1.205 0.944 0.285 0.800 0.600 CA 0.513 ? Z: 6 5.069 1.361 0.913 0.239 1.000 0.800 N 1.177 6 residues pruned to eliminate duplicates Z: 23 14.940 1.793 0.704 0.444 0.955 0.409 CB 1.157 24 residues pruned to eliminate duplicates Z: 7 6.398 1.339 0.683 0.517 1.000 0.667 CA 1.140 7 residues pruned to eliminate duplicates Z: 10 4.775 1.736 0.537 0.152 0.778 0.333 CB 1.177 10 residues pruned to eliminate duplicates Z: 78 29.556 1.902 0.487 0.433 0.922 0.558 CB 1.385 78 residues pruned to eliminate duplicates Z: 18 9.398 1.721 0.631 0.283 0.882 0.412 CB 1.176 18 residues pruned to eliminate duplicates Z: 10 11.120 1.923 0.739 0.330 1.000 0.889 CB 1.336 10 residues pruned to eliminate duplicates Z: 17 8.872 1.700 0.538 0.365 0.875 0.625 CB 1.120 17 residues pruned to eliminate duplicates Z: 9 8.660 1.958 0.621 0.256 1.000 0.750 CA 1.276 9 residues pruned to eliminate duplicates Z: 49 18.243 1.940 0.447 0.355 0.854 0.542 CB 1.284 49 residues pruned to eliminate duplicates Z: 18 10.704 1.873 0.681 0.295 0.824 0.529 CB 1.259 18 residues pruned to eliminate duplicates Z: 19 8.393 1.738 0.638 0.236 0.722 0.500 CB 1.307 19 residues pruned to eliminate duplicates Z: 30 17.986 1.938 0.420 0.507 0.897 0.586 CB 1.344 30 residues pruned to eliminate duplicates Z: 48 18.394 1.865 0.344 0.431 0.894 0.489 CB 1.286 48 residues pruned to eliminate duplicates Z: 20 8.137 1.682 0.635 0.397 0.684 0.368 CB 1.106 20 residues pruned to eliminate duplicates Z: 35 18.520 1.887 0.560 0.450 0.912 0.500 CB 1.245 35 residues pruned to eliminate duplicates Z: 28 10.093 1.773 0.456 0.285 0.852 0.407 CB 1.126 28 residues pruned to eliminate duplicates Z: 50 26.941 1.987 0.450 0.532 0.898 0.592 CB 1.441 50 residues pruned to eliminate duplicates Z: 17 9.065 1.902 0.180 0.367 0.812 0.500 CB 1.433 17 residues pruned to eliminate duplicates Z: 63 27.197 1.941 0.429 0.466 0.903 0.597 CB 1.427 63 residues pruned to eliminate duplicates Z: 49 26.209 1.970 0.490 0.498 0.875 0.583 CB 1.476 49 residues pruned to eliminate duplicates Z: 31 19.207 1.964 0.557 0.481 0.867 0.600 CB 1.349 31 residues pruned to eliminate duplicates Z: 21 16.018 1.973 0.431 0.511 0.850 0.650 CA 1.476 21 residues pruned to eliminate duplicates Z: 28 15.111 1.926 0.446 0.346 0.852 0.519 CB 1.450 28 residues pruned to eliminate duplicates Z: 66 27.825 1.947 0.462 0.483 0.892 0.615 CB 1.383 66 residues pruned to eliminate duplicates Z: 38 21.463 1.947 0.526 0.487 0.838 0.568 CA 1.436 38 residues pruned to eliminate duplicates Z: 58 28.442 1.950 0.578 0.463 0.877 0.614 CA 1.448 58 residues pruned to eliminate duplicates Z: 22 14.822 1.906 0.334 0.452 0.905 0.524 CB 1.476 22 residues pruned to eliminate duplicates Z: 19 14.988 1.939 0.562 0.462 0.833 0.556 CA 1.455 19 residues pruned to eliminate duplicates Z: 31 21.257 1.955 0.573 0.488 0.867 0.600 CB 1.473 31 residues pruned to eliminate duplicates Z: 43 18.414 1.886 0.497 0.362 0.857 0.548 CB 1.362 43 residues pruned to eliminate duplicates Z: 30 18.321 1.953 0.460 0.504 0.897 0.517 CB 1.326 30 residues pruned to eliminate duplicates Z: 23 16.831 1.894 0.506 0.484 0.909 0.636 CA 1.407 23 residues pruned to eliminate duplicates Z: 32 18.407 1.932 0.401 0.509 0.871 0.581 CB 1.390 32 residues pruned to eliminate duplicates Z: 47 19.532 1.932 0.479 0.373 0.870 0.543 CB 1.327 47 residues pruned to eliminate duplicates Z: 59 26.697 1.954 0.535 0.452 0.879 0.621 CB 1.397 59 residues pruned to eliminate duplicates Z: 36 18.689 1.969 0.447 0.399 0.886 0.543 CB 1.392 36 residues pruned to eliminate duplicates Z: 43 26.023 1.975 0.584 0.493 0.881 0.667 CA 1.467 43 residues pruned to eliminate duplicates Z: 40 23.718 1.971 0.575 0.494 0.872 0.692 CB 1.411 40 residues pruned to eliminate duplicates Z: 34 19.796 1.979 0.550 0.414 0.879 0.515 CB 1.398 34 residues pruned to eliminate duplicates Z: 23 18.170 1.967 0.594 0.497 0.955 0.636 CB 1.298 23 residues pruned to eliminate duplicates Z: 38 20.300 1.931 0.582 0.390 0.865 0.514 CB 1.418 38 residues pruned to eliminate duplicates Z: 49 26.205 1.967 0.558 0.484 0.875 0.583 CA 1.433 49 residues pruned to eliminate duplicates Z: 50 31.753 1.949 0.579 0.537 0.939 0.592 CB 1.515 50 residues pruned to eliminate duplicates Z: 66 27.459 1.882 0.483 0.524 0.908 0.631 CB 1.313 66 residues pruned to eliminate duplicates Z: 44 30.133 1.928 0.577 0.555 0.977 0.698 CB 1.467 44 residues pruned to eliminate duplicates Z: 16 21.597 1.808 0.765 0.850 1.000 0.800 CA 1.295 16 residues pruned to eliminate duplicates Z: 39 23.873 1.961 0.703 0.476 0.895 0.632 CB 1.327 39 residues pruned to eliminate duplicates Z: 52 31.197 1.967 0.639 0.539 0.882 0.608 CB 1.478 52 residues pruned to eliminate duplicates Z: 37 27.912 1.931 0.709 0.550 0.944 0.611 CA 1.421 37 residues pruned to eliminate duplicates Z: 15 25.540 1.993 0.866 0.812 0.929 0.929 CA 1.506 15 residues pruned to eliminate duplicates Z: 15 29.839 2.025 0.975 0.830 0.929 0.857 CA 1.615 15 residues pruned to eliminate duplicates Z: 49 30.984 1.986 0.667 0.512 0.917 0.583 CB 1.455 49 residues pruned to eliminate duplicates Z: 16 31.953 2.007 1.128 0.801 1.000 0.733 CB 1.484 16 residues pruned to eliminate duplicates Z: 51 30.397 1.964 0.591 0.551 0.960 0.640 CB 1.363 51 residues pruned to eliminate duplicates Z: 40 28.201 1.981 0.713 0.517 0.897 0.564 CB 1.458 40 residues pruned to eliminate duplicates Z: 16 25.185 2.003 0.792 0.692 0.933 0.733 CA 1.629 16 residues pruned to eliminate duplicates Z: 66 28.100 1.907 0.593 0.431 0.877 0.477 CB 1.405 66 residues pruned to eliminate duplicates Z: 35 27.627 1.889 0.717 0.601 0.912 0.647 CA 1.455 35 residues pruned to eliminate duplicates Z: 47 33.388 1.891 0.581 0.660 0.957 0.674 CA 1.484 47 residues pruned to eliminate duplicates Z: 74 34.439 1.926 0.527 0.555 0.904 0.644 CB 1.437 74 residues pruned to eliminate duplicates Z: 13 14.201 1.807 0.457 0.539 1.000 0.500 CA 1.499 13 residues pruned to eliminate duplicates Z: 32 21.780 1.887 0.386 0.640 0.968 0.613 CB 1.355 32 residues pruned to eliminate duplicates Z: 14 12.525 1.871 0.443 0.579 0.846 0.615 CA 1.410 14 residues pruned to eliminate duplicates Z: 27 18.335 1.869 0.366 0.610 0.962 0.654 CA 1.319 27 residues pruned to eliminate duplicates Z: 21 11.352 1.835 0.340 0.480 0.850 0.450 CA 1.239 21 residues pruned to eliminate duplicates Z: 32 19.268 1.865 0.268 0.674 0.935 0.742 CA 1.332 32 residues pruned to eliminate duplicates Z: 44 14.414 1.808 0.468 0.328 0.791 0.442 CB 1.265 44 residues pruned to eliminate duplicates Z: 26 21.469 1.926 0.374 0.716 0.960 0.680 CB 1.390 26 residues pruned to eliminate duplicates Z: 42 19.256 1.802 0.521 0.483 0.829 0.585 CA 1.346 42 residues pruned to eliminate duplicates Z: 34 25.620 1.907 0.570 0.671 0.909 0.697 CA 1.399 34 residues pruned to eliminate duplicates Z: 29 21.634 1.894 0.597 0.603 0.893 0.679 CB 1.372 29 residues pruned to eliminate duplicates Z: 81 33.768 1.912 0.556 0.506 0.925 0.500 CB 1.363 81 residues pruned to eliminate duplicates Z: 59 31.276 1.946 0.674 0.492 0.879 0.534 CA 1.445 59 residues pruned to eliminate duplicates Z: 23 16.256 1.884 0.331 0.675 0.864 0.727 CA 1.361 23 residues pruned to eliminate duplicates Z: 50 23.362 1.906 0.608 0.562 0.918 0.633 CB 1.117 50 residues pruned to eliminate duplicates Z: 20 14.571 1.864 0.323 0.650 1.000 0.684 CA 1.179 20 residues pruned to eliminate duplicates Z: 22 16.889 1.898 0.398 0.690 0.905 0.619 CB 1.290 22 residues pruned to eliminate duplicates Z: 22 17.820 1.846 0.557 0.687 0.952 0.810 CA 1.197 22 residues pruned to eliminate duplicates Z: 19 13.886 1.927 0.290 0.723 0.944 0.722 CA 1.139 19 residues pruned to eliminate duplicates Z: 22 18.657 1.880 0.469 0.697 0.952 0.810 CA 1.293 22 residues pruned to eliminate duplicates Z: 30 17.083 1.813 0.403 0.546 0.931 0.759 CB 1.280 30 residues pruned to eliminate duplicates Z: 21 20.116 1.919 0.536 0.761 0.950 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 20 15.326 1.861 0.344 0.708 0.947 0.632 CA 1.228 20 residues pruned to eliminate duplicates Z: 19 19.693 1.895 0.549 0.739 1.000 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 20 19.969 1.902 0.595 0.723 1.000 0.895 CB 1.235 20 residues pruned to eliminate duplicates Z: 36 19.013 1.866 0.305 0.602 1.000 0.686 CB 1.197 36 residues pruned to eliminate duplicates Z: 21 14.546 1.855 0.323 0.669 0.950 0.700 CB 1.193 21 residues pruned to eliminate duplicates Z: 17 14.438 2.002 0.758 0.412 0.938 0.562 CB 1.199 17 residues pruned to eliminate duplicates Z: 17 14.940 2.051 0.750 0.370 0.938 0.625 CB 1.276 17 residues pruned to eliminate duplicates Z: 30 19.757 1.984 0.745 0.485 0.897 0.724 CB 1.200 30 residues pruned to eliminate duplicates Z: 16 12.615 2.026 0.503 0.401 0.933 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 20 12.441 1.925 0.658 0.356 0.895 0.684 CB 1.168 20 residues pruned to eliminate duplicates Z: 18 12.314 2.008 0.539 0.417 0.941 0.882 CB 1.120 18 residues pruned to eliminate duplicates Z: 30 19.049 1.916 0.727 0.485 0.931 0.655 CB 1.166 30 residues pruned to eliminate duplicates Z: 17 15.248 2.002 0.742 0.465 0.938 0.812 CB 1.208 17 residues pruned to eliminate duplicates Z: 10 12.877 1.989 0.804 0.489 0.889 0.556 CA 1.361 10 residues pruned to eliminate duplicates Z: 19 12.972 2.006 0.659 0.315 0.944 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 20 12.284 1.939 0.657 0.276 0.842 0.474 CB 1.343 20 residues pruned to eliminate duplicates Z: 34 21.774 1.942 0.834 0.458 0.909 0.455 CB 1.223 34 residues pruned to eliminate duplicates Z: 15 12.967 2.023 0.720 0.437 0.929 0.714 CB 1.145 15 residues pruned to eliminate duplicates Z: 24 12.925 1.917 0.485 0.392 0.870 0.565 CB 1.221 24 residues pruned to eliminate duplicates Z: 23 12.422 1.880 0.639 0.265 0.909 0.545 CB 1.235 23 residues pruned to eliminate duplicates Z: 18 17.956 2.075 0.706 0.561 1.000 0.588 CB 1.160 18 residues pruned to eliminate duplicates Z: 32 19.946 1.988 0.790 0.505 0.871 0.581 CB 1.151 32 residues pruned to eliminate duplicates Z: 23 17.762 1.958 0.771 0.456 0.864 0.682 CB 1.322 23 residues pruned to eliminate duplicates Z: 32 19.319 1.917 0.918 0.461 0.871 0.548 CB 1.127 32 residues pruned to eliminate duplicates Z: 19 18.816 2.039 0.809 0.520 0.944 0.611 CB 1.248 19 residues pruned to eliminate duplicates Z: 14 13.983 1.917 0.633 0.620 0.923 0.538 CB 1.199 14 residues pruned to eliminate duplicates Z: 16 15.828 1.870 0.579 0.685 0.867 0.467 CB 1.347 16 residues pruned to eliminate duplicates Z: 19 12.874 1.992 0.568 0.531 0.944 0.444 CB 0.998 19 residues pruned to eliminate duplicates Z: 19 15.061 2.002 0.601 0.554 0.944 0.611 CB 1.112 19 residues pruned to eliminate duplicates Z: 11 12.120 2.069 0.585 0.796 0.900 0.500 CB 1.002 11 residues pruned to eliminate duplicates Z: 11 15.600 2.028 0.729 0.712 0.900 0.300 CB 1.290 11 residues pruned to eliminate duplicates Z: 12 11.874 1.978 0.491 0.753 0.818 0.818 CB 1.185 12 residues pruned to eliminate duplicates Z: 20 12.961 1.882 0.669 0.497 0.789 0.526 CB 1.203 20 residues pruned to eliminate duplicates Z: 13 4.116 1.556 0.246 0.228 0.667 0.250 CB 1.262 7 residues pruned to eliminate duplicates 6 1.990 1.376 0.515 0.331 0.600 0.400 N 0.857 ? Z: 6 5.304 1.730 0.511 0.254 1.000 0.600 CB 1.203 6 residues pruned to eliminate duplicates Z: 28 17.795 1.910 0.562 0.421 0.852 0.556 CA 1.463 28 residues pruned to eliminate duplicates Z: 30 18.904 1.926 0.476 0.427 0.897 0.586 CB 1.486 30 residues pruned to eliminate duplicates Z: 10 11.717 1.802 0.686 0.631 0.889 0.333 CB 1.280 10 residues pruned to eliminate duplicates Z: 28 18.330 1.949 0.402 0.475 0.889 0.667 CB 1.490 28 residues pruned to eliminate duplicates Z: 26 17.695 1.973 0.488 0.486 0.800 0.520 CB 1.528 26 residues pruned to eliminate duplicates Z: 27 19.097 1.926 0.505 0.527 0.885 0.692 CB 1.423 27 residues pruned to eliminate duplicates Z: 26 18.510 1.962 0.503 0.505 0.840 0.680 CB 1.487 26 residues pruned to eliminate duplicates Z: 29 20.206 1.966 0.491 0.465 0.893 0.536 CA 1.511 38 residues pruned to eliminate duplicates Z: 7 9.615 1.975 0.755 0.529 0.833 0.333 CA 1.320 7 residues pruned to eliminate duplicates Z: 30 20.622 1.972 0.479 0.472 0.966 0.586 CB 1.399 30 residues pruned to eliminate duplicates Z: 30 21.471 1.963 0.590 0.434 0.931 0.517 CB 1.468 37 residues pruned to eliminate duplicates Z: 6 5.249 1.679 0.687 0.415 0.800 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 25 17.140 1.964 0.443 0.464 0.917 0.500 CB 1.397 25 residues pruned to eliminate duplicates Z: 31 22.776 1.949 0.590 0.456 0.933 0.667 CB 1.504 32 residues pruned to eliminate duplicates Z: 13 10.982 1.473 0.621 0.863 1.000 0.917 CB 0.974 14 residues pruned to eliminate duplicates Z: 13 7.500 1.399 0.366 0.865 0.917 0.500 CB 0.906 13 residues pruned to eliminate duplicates Z: 16 7.109 1.420 0.592 0.698 0.867 0.467 CB 0.782 16 residues pruned to eliminate duplicates Z: 15 9.699 1.411 0.704 0.671 0.929 0.571 CB 0.991 13 residues pruned to eliminate duplicates Z: 10 5.449 1.433 0.575 0.750 0.889 0.556 CB 0.724 10 residues pruned to eliminate duplicates Z: 11 7.006 1.471 0.418 0.751 1.000 0.800 CB 0.849 11 residues pruned to eliminate duplicates Z: 8 3.384 1.437 0.280 0.589 0.857 0.571 CB 0.746 8 residues pruned to eliminate duplicates Z: 9 3.903 1.429 0.322 0.675 0.750 0.625 CB 0.829 9 residues pruned to eliminate duplicates Z: 11 7.657 1.496 0.688 0.864 0.900 0.800 CB 0.782 11 residues pruned to eliminate duplicates Z: 12 7.305 1.548 0.620 0.745 0.727 0.455 CB 0.970 12 residues pruned to eliminate duplicates Z: 9 6.393 1.556 0.384 0.521 0.875 0.625 N 1.175 5 residues pruned to eliminate duplicates Z: 7 12.602 1.666 0.872 0.852 1.000 0.500 CA 1.219 10 residues pruned to eliminate duplicates Z: 6 10.411 1.726 0.484 0.861 1.000 1.000 CB 1.337 6 residues pruned to eliminate duplicates Z: 15 13.853 1.773 0.689 0.628 0.857 0.500 CB 1.280 11 residues pruned to eliminate duplicates Z: 16 19.334 1.821 0.882 0.848 0.933 0.667 CB 1.158 16 residues pruned to eliminate duplicates Z: 14 23.108 1.861 0.902 0.902 1.000 0.769 N 1.292 14 residues pruned to eliminate duplicates Z: 20 17.093 1.733 0.845 0.702 0.895 0.421 CB 1.140 20 residues pruned to eliminate duplicates Z: 14 21.531 1.850 0.798 0.916 1.000 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 15 20.234 1.842 1.078 0.850 0.929 0.714 CB 1.126 15 residues pruned to eliminate duplicates Z: 20 18.748 1.727 0.852 0.792 1.000 0.526 CB 1.041 20 residues pruned to eliminate duplicates Z: 19 19.442 1.777 0.910 0.755 0.944 0.389 CB 1.140 19 residues pruned to eliminate duplicates Z: 14 23.401 1.839 1.099 0.915 1.000 0.692 N 1.189 14 residues pruned to eliminate duplicates Z: 27 20.883 1.701 0.833 0.669 1.000 0.577 CB 1.124 19 residues pruned to eliminate duplicates Z: 15 24.521 1.878 1.095 0.860 1.000 0.429 CB 1.225 15 residues pruned to eliminate duplicates Z: 16 21.558 1.814 0.999 0.743 1.000 0.600 N 1.235 16 residues pruned to eliminate duplicates Z: 7 3.246 1.551 0.508 0.397 0.667 0.500 CB 0.948 7 residues pruned to eliminate duplicates Z: 9 8.353 1.542 0.765 0.564 0.875 0.375 CB 1.165 11 residues pruned to eliminate duplicates Z: 12 12.221 1.586 0.532 0.833 1.000 0.818 CA 1.138 11 residues pruned to eliminate duplicates Z: 12 9.571 1.580 0.305 0.769 0.909 0.727 CA 1.214 12 residues pruned to eliminate duplicates Z: 10 6.786 1.591 0.152 0.765 0.889 0.778 CA 1.097 10 residues pruned to eliminate duplicates Z: 9 9.328 1.783 0.176 0.817 1.000 1.000 CB 1.194 9 residues pruned to eliminate duplicates Z: 9 10.103 1.743 0.367 0.916 1.000 1.000 CB 1.059 9 residues pruned to eliminate duplicates Z: 11 10.908 1.635 0.459 0.767 1.000 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 12 11.085 1.640 0.405 0.854 1.000 0.909 CB 1.071 12 residues pruned to eliminate duplicates Z: 10 12.756 1.759 0.481 0.885 1.000 1.000 CB 1.178 11 residues pruned to eliminate duplicates Z: 13 11.532 1.556 0.576 0.839 1.000 0.667 CB 1.014 12 residues pruned to eliminate duplicates Z: 6 4.629 1.528 0.216 0.394 1.000 0.000 CA 1.246 6 residues pruned to eliminate duplicates Z: 9 8.299 1.884 0.307 0.305 1.000 0.500 CB 1.481 10 residues pruned to eliminate duplicates Z: 10 8.351 1.651 0.390 0.843 0.889 0.556 CB 1.016 10 residues pruned to eliminate duplicates Z: 12 9.530 1.581 0.397 0.722 0.909 0.818 CB 1.170 12 residues pruned to eliminate duplicates Z: 10 9.289 1.693 0.140 0.904 1.000 1.000 CB 1.142 10 residues pruned to eliminate duplicates Z: 6 7.944 1.720 0.307 0.675 1.000 1.000 N 1.345 6 residues pruned to eliminate duplicates Z: 10 9.551 1.728 0.331 0.763 0.889 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 16 10.646 1.629 0.576 0.612 0.867 0.667 CB 1.111 16 residues pruned to eliminate duplicates Z: 17 11.615 1.626 0.591 0.636 0.938 0.688 CB 1.054 16 residues pruned to eliminate duplicates Z: 10 10.317 1.572 0.445 0.889 1.000 0.889 CB 1.089 10 residues pruned to eliminate duplicates Z: 15 8.400 1.456 0.711 0.595 0.857 0.643 CB 0.961 15 residues pruned to eliminate duplicates Z: 15 8.742 1.764 0.350 0.538 0.786 0.429 CB 1.204 15 residues pruned to eliminate duplicates Z: 13 9.436 1.852 0.220 0.532 0.917 0.417 CB 1.274 13 residues pruned to eliminate duplicates Z: 13 8.208 1.786 0.379 0.480 0.750 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 21 7.478 1.651 0.407 0.335 0.750 0.450 CB 1.149 21 residues pruned to eliminate duplicates Z: 19 8.039 1.643 0.407 0.470 0.889 0.333 CB 0.951 19 residues pruned to eliminate duplicates Z: 18 7.989 1.669 0.235 0.385 0.882 0.588 CB 1.204 18 residues pruned to eliminate duplicates Z: 19 9.322 1.713 0.416 0.370 0.833 0.278 CB 1.249 19 residues pruned to eliminate duplicates Z: 14 7.409 1.818 0.430 0.418 0.692 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 17 6.682 1.660 0.430 0.407 0.688 0.375 CB 1.129 17 residues pruned to eliminate duplicates Z: 19 8.346 1.633 0.463 0.400 0.833 0.389 CB 1.098 19 residues pruned to eliminate duplicates Z: 19 11.071 1.663 0.499 0.592 0.833 0.556 CB 1.150 20 residues pruned to eliminate duplicates Z: 8 6.450 1.601 0.378 0.814 0.857 0.429 CB 0.981 8 residues pruned to eliminate duplicates Z: 8 7.455 1.596 0.570 0.614 0.857 0.429 CB 1.177 8 residues pruned to eliminate duplicates Z: 8 6.438 1.501 0.748 0.597 0.857 0.571 O 0.986 8 residues pruned to eliminate duplicates Z: 8 7.871 1.623 0.362 0.721 1.000 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 10 8.694 1.570 0.263 0.683 1.000 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 10 5.221 1.630 0.319 0.434 0.889 0.667 CB 0.975 7 residues pruned to eliminate duplicates Z: 6 5.541 1.779 0.250 0.428 1.000 0.400 CB 1.201 Z: 7 7.882 1.871 0.696 0.560 0.833 0.667 CB 1.148 10 residues pruned to eliminate duplicates Z: 7 5.210 1.634 0.140 0.546 1.000 0.833 CA 1.091 7 residues pruned to eliminate duplicates Z: 8 7.862 1.527 0.638 0.844 1.000 1.000 CA 0.884 7 residues pruned to eliminate duplicates Z: 8 8.795 1.479 0.927 0.579 1.000 0.857 CB 1.081 8 residues pruned to eliminate duplicates Z: 20 25.681 2.075 0.560 0.732 1.000 0.684 CB 1.477 20 residues pruned to eliminate duplicates Z: 35 26.405 1.949 0.561 0.599 0.971 0.706 CB 1.396 59 residues pruned to eliminate duplicates Z: 26 26.505 1.988 0.714 0.628 0.960 0.640 CB 1.437 31 residues pruned to eliminate duplicates Z: 26 27.095 2.000 0.697 0.679 1.000 0.720 CB 1.355 26 residues pruned to eliminate duplicates Z: 24 22.319 2.008 0.577 0.637 0.913 0.609 CB 1.416 24 residues pruned to eliminate duplicates Z: 21 23.293 2.038 0.595 0.686 0.950 0.700 CB 1.421 21 residues pruned to eliminate duplicates Z: 24 24.629 1.986 0.719 0.669 1.000 0.739 CB 1.287 24 residues pruned to eliminate duplicates Z: 33 27.382 1.990 0.635 0.661 0.969 0.688 CB 1.322 33 residues pruned to eliminate duplicates Z: 35 24.146 1.971 0.563 0.558 0.941 0.618 CB 1.349 35 residues pruned to eliminate duplicates Z: 22 24.249 2.025 0.773 0.683 0.905 0.667 CB 1.377 23 residues pruned to eliminate duplicates Z: 26 26.365 2.002 0.790 0.662 0.920 0.640 CB 1.376 25 residues pruned to eliminate duplicates Z: 22 26.143 2.057 0.615 0.689 1.000 0.762 CB 1.444 22 residues pruned to eliminate duplicates Z: 22 22.654 2.010 0.597 0.734 0.905 0.810 CB 1.380 22 residues pruned to eliminate duplicates Z: 22 29.247 2.041 0.815 0.670 1.000 0.762 CB 1.472 23 residues pruned to eliminate duplicates Z: 25 27.302 2.004 0.822 0.661 0.917 0.708 CB 1.434 25 residues pruned to eliminate duplicates Z: 20 27.683 2.025 0.844 0.700 0.947 0.737 CB 1.496 20 residues pruned to eliminate duplicates Z: 25 25.194 2.003 0.536 0.704 0.958 0.708 CB 1.448 25 residues pruned to eliminate duplicates Z: 26 22.674 1.978 0.638 0.651 0.880 0.600 CB 1.382 26 residues pruned to eliminate duplicates Z: 18 10.525 1.759 0.422 0.428 0.882 0.412 CB 1.246 27 residues pruned to eliminate duplicates Z: 6 4.718 1.490 0.800 0.454 1.000 0.600 CA 0.825 6 residues pruned to eliminate duplicates Z: 25 22.901 1.896 0.710 0.638 0.958 0.542 CB 1.323 25 residues pruned to eliminate duplicates Z: 34 28.687 1.965 0.667 0.609 0.939 0.636 CB 1.463 34 residues pruned to eliminate duplicates Z: 9 10.940 1.926 0.368 0.655 0.875 0.750 CA 1.451 9 residues pruned to eliminate duplicates Z: 7 11.464 2.022 0.638 0.766 0.833 0.667 CB 1.339 7 residues pruned to eliminate duplicates Z: 34 23.144 1.922 0.776 0.573 0.879 0.545 CB 1.253 34 residues pruned to eliminate duplicates Z: 6 2.040 1.018 0.856 0.297 1.000 0.400 N 0.606 6 residues pruned to eliminate duplicates Z: 10 11.106 1.910 0.442 0.505 1.000 0.444 CB 1.337 10 residues pruned to eliminate duplicates Z: 8 3.555 1.574 0.129 0.421 0.857 0.571 CB 0.958 8 residues pruned to eliminate duplicates Z: 9 3.876 1.417 0.226 0.344 1.000 0.500 CB 0.935 6 residues pruned to eliminate duplicates Z: 7 6.895 1.422 0.228 0.841 1.000 0.667 N 1.202 6 residues pruned to eliminate duplicates Z: 6 5.372 1.337 0.412 0.839 1.000 0.800 CB 0.950 6 residues pruned to eliminate duplicates Z: 6 2.922 1.511 0.784 0.442 0.600 0.600 CB 0.858 5 residues pruned to eliminate duplicates Z: 6 3.765 1.583 0.636 0.475 0.800 0.600 CB 0.833 6 residues pruned to eliminate duplicates Z: 9 5.711 1.554 0.444 0.687 0.875 0.625 CB 0.866 9 residues pruned to eliminate duplicates Z: 25 11.480 1.700 0.399 0.460 0.958 0.583 CB 1.071 23 residues pruned to eliminate duplicates Z: 9 5.561 1.587 0.247 0.698 0.875 0.625 CB 0.948 9 residues pruned to eliminate duplicates Z: 18 10.971 1.743 0.551 0.467 0.941 0.706 CB 1.082 18 residues pruned to eliminate duplicates Z: 15 7.434 1.614 0.398 0.562 0.857 0.714 CB 0.968 15 residues pruned to eliminate duplicates Z: 23 10.436 1.696 0.409 0.436 0.864 0.500 CB 1.152 23 residues pruned to eliminate duplicates Z: 25 11.231 1.698 0.352 0.426 0.958 0.625 CB 1.126 25 residues pruned to eliminate duplicates Z: 24 10.913 1.753 0.351 0.407 0.913 0.696 CB 1.160 25 residues pruned to eliminate duplicates Z: 11 4.402 1.690 0.370 0.413 0.800 0.400 CB 0.823 11 residues pruned to eliminate duplicates Z: 12 5.557 1.724 0.588 0.274 0.727 0.545 CB 1.088 12 residues pruned to eliminate duplicates Z: 25 10.175 1.685 0.494 0.498 0.875 0.667 CB 0.945 25 residues pruned to eliminate duplicates Z: 23 10.408 1.727 0.477 0.451 0.909 0.591 CB 1.007 23 residues pruned to eliminate duplicates Z: 8 10.482 1.860 0.825 0.456 0.857 0.714 CB 1.424 8 residues pruned to eliminate duplicates Z: 11 7.279 1.803 0.597 0.384 0.800 0.500 CB 1.131 11 residues pruned to eliminate duplicates Z: 11 8.110 1.805 0.508 0.367 0.900 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 25 10.344 1.736 0.418 0.460 0.833 0.583 CB 1.072 25 residues pruned to eliminate duplicates Z: 19 10.344 1.686 0.463 0.529 0.944 0.667 CB 1.017 18 residues pruned to eliminate duplicates Z: 7 4.069 1.172 0.322 0.713 1.000 0.500 CB 0.884 Z: 9 6.025 1.203 0.353 0.891 1.000 0.500 CB 0.940 7 residues pruned to eliminate duplicates Z: 7 8.529 1.397 0.633 0.838 1.000 0.333 CB 1.140 9 residues pruned to eliminate duplicates Z: 6 3.533 1.331 0.667 0.688 0.800 0.800 O 0.749 6 residues pruned to eliminate duplicates Z: 6 2.187 1.272 0.615 0.375 0.600 0.400 N 0.906 6 residues pruned to eliminate duplicates Z: 19 8.712 1.769 0.509 0.382 0.778 0.444 CB 1.122 23 residues pruned to eliminate duplicates Z: 9 5.259 1.406 0.361 0.529 0.875 0.500 CA 1.079 9 residues pruned to eliminate duplicates Z: 15 7.336 1.828 0.233 0.417 0.786 0.643 CB 1.206 15 residues pruned to eliminate duplicates Z: 14 12.418 1.810 0.423 0.473 1.000 0.538 CB 1.374 14 residues pruned to eliminate duplicates Z: 13 11.159 1.830 0.422 0.521 0.917 0.583 CB 1.322 13 residues pruned to eliminate duplicates Z: 15 9.306 1.829 0.414 0.423 0.929 0.714 CB 1.123 15 residues pruned to eliminate duplicates Z: 35 23.075 1.919 0.484 0.573 0.912 0.676 CB 1.420 35 residues pruned to eliminate duplicates Z: 24 21.150 1.980 0.549 0.595 0.870 0.739 CA 1.509 24 residues pruned to eliminate duplicates Z: 17 9.117 1.845 0.354 0.350 0.938 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 29 24.486 1.972 0.578 0.643 0.929 0.643 CB 1.400 29 residues pruned to eliminate duplicates Z: 37 21.461 1.886 0.522 0.494 0.889 0.583 CB 1.410 37 residues pruned to eliminate duplicates Z: 35 21.752 1.909 0.554 0.532 0.882 0.676 CB 1.382 35 residues pruned to eliminate duplicates Z: 34 21.517 1.913 0.335 0.552 0.909 0.576 CB 1.534 34 residues pruned to eliminate duplicates Z: 34 25.919 1.933 0.576 0.567 0.939 0.697 CB 1.477 34 residues pruned to eliminate duplicates Z: 35 25.050 1.923 0.659 0.582 0.912 0.882 CB 1.365 35 residues pruned to eliminate duplicates Z: 16 23.079 1.957 0.600 0.750 0.933 0.667 CB 1.632 16 residues pruned to eliminate duplicates Z: 22 21.903 1.967 0.795 0.662 0.857 0.667 CB 1.359 22 residues pruned to eliminate duplicates Z: 19 24.464 1.985 0.765 0.766 0.889 0.889 CB 1.463 19 residues pruned to eliminate duplicates Z: 35 24.392 1.897 0.582 0.620 0.882 0.735 CB 1.411 35 residues pruned to eliminate duplicates Z: 20 23.935 1.943 0.952 0.730 0.842 0.684 CB 1.398 20 residues pruned to eliminate duplicates Z: 18 32.412 2.001 0.900 0.831 0.941 0.706 CA 1.651 18 residues pruned to eliminate duplicates Z: 35 23.958 1.936 0.536 0.557 0.912 0.735 CB 1.435 35 residues pruned to eliminate duplicates Z: 18 23.115 1.965 0.601 0.838 0.882 0.824 CA 1.509 18 residues pruned to eliminate duplicates Z: 35 20.656 1.932 0.439 0.561 0.882 0.735 CB 1.361 35 residues pruned to eliminate duplicates Z: 25 23.769 1.991 0.636 0.619 0.958 0.708 CB 1.388 25 residues pruned to eliminate duplicates Z: 18 27.778 1.964 0.846 0.838 0.882 0.765 CA 1.574 18 residues pruned to eliminate duplicates Z: 13 18.985 1.913 0.559 0.879 1.000 0.833 CA 1.333 13 residues pruned to eliminate duplicates Z: 13 17.481 1.893 0.513 0.863 1.000 0.833 CB 1.292 13 residues pruned to eliminate duplicates Z: 14 15.121 1.896 0.293 0.837 1.000 0.846 CB 1.280 14 residues pruned to eliminate duplicates Z: 14 17.668 1.930 0.516 0.803 1.000 0.692 CB 1.286 14 residues pruned to eliminate duplicates Z: 13 19.137 1.937 0.660 0.880 1.000 0.833 CB 1.245 13 residues pruned to eliminate duplicates Z: 14 12.892 1.840 0.484 0.745 0.923 0.692 CB 1.140 14 residues pruned to eliminate duplicates Z: 14 13.581 1.858 0.586 0.730 0.923 0.692 CB 1.126 14 residues pruned to eliminate duplicates Z: 13 16.755 1.931 0.430 0.877 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 17.378 1.939 0.424 0.904 1.000 1.000 CB 1.293 13 residues pruned to eliminate duplicates Z: 13 19.474 1.915 0.623 0.904 1.000 0.750 CB 1.289 13 residues pruned to eliminate duplicates Z: 13 19.811 1.931 0.605 0.908 1.000 1.000 CB 1.311 13 residues pruned to eliminate duplicates Z: 15 14.445 1.771 0.596 0.883 0.857 0.786 CB 1.152 15 residues pruned to eliminate duplicates Z: 14 19.281 1.832 0.729 0.907 1.000 0.846 CB 1.200 14 residues pruned to eliminate duplicates Z: 6 8.759 1.636 0.400 0.786 1.000 0.800 CA 1.330 6 residues pruned to eliminate duplicates Z: 12 9.446 1.892 0.788 0.387 0.727 0.455 CA 1.306 12 residues pruned to eliminate duplicates Z: 22 22.275 1.937 0.579 0.611 0.952 0.619 CB 1.502 22 residues pruned to eliminate duplicates Z: 21 24.571 1.937 0.722 0.692 1.000 0.650 CB 1.382 21 residues pruned to eliminate duplicates Z: 20 19.211 1.911 0.458 0.689 0.895 0.684 CB 1.487 20 residues pruned to eliminate duplicates Z: 19 19.866 1.987 0.646 0.672 0.889 0.833 CB 1.374 19 residues pruned to eliminate duplicates Z: 21 22.012 1.927 0.621 0.641 1.000 0.550 CB 1.381 21 residues pruned to eliminate duplicates Z: 22 20.106 1.918 0.467 0.607 0.952 0.714 CB 1.479 22 residues pruned to eliminate duplicates Z: 20 19.661 1.966 0.528 0.655 0.947 0.789 CB 1.372 20 residues pruned to eliminate duplicates Z: 44 31.080 1.913 0.569 0.632 0.930 0.605 CB 1.500 44 residues pruned to eliminate duplicates Z: 24 17.665 1.856 0.326 0.590 0.957 0.696 CB 1.435 24 residues pruned to eliminate duplicates Z: 19 11.823 1.930 0.377 0.602 0.833 0.667 CB 1.142 19 residues pruned to eliminate duplicates Z: 22 20.727 1.917 0.564 0.651 0.905 0.667 CB 1.448 22 residues pruned to eliminate duplicates Z: 15 13.642 1.852 0.547 0.625 0.857 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 21 19.320 1.904 0.518 0.645 0.900 0.550 CB 1.451 21 residues pruned to eliminate duplicates Z: 12 13.559 1.923 0.568 0.709 0.909 0.727 CB 1.233 12 residues pruned to eliminate duplicates Z: 22 15.521 1.844 0.470 0.566 0.905 0.571 CB 1.296 22 residues pruned to eliminate duplicates Z: 23 17.482 1.881 0.668 0.563 0.864 0.636 CB 1.294 23 residues pruned to eliminate duplicates Z: 23 22.960 1.907 0.603 0.641 0.955 0.818 CB 1.470 23 residues pruned to eliminate duplicates Z: 8 6.774 1.668 -0.068 0.851 1.000 0.857 CB 1.220 8 residues pruned to eliminate duplicates Z: 7 7.325 1.593 0.119 0.807 1.000 0.667 CA 1.283 7 residues pruned to eliminate duplicates Z: 9 9.853 1.675 0.233 0.881 1.000 1.000 CB 1.221 9 residues pruned to eliminate duplicates Z: 8 7.571 1.512 0.264 0.886 1.000 0.714 CB 1.081 7 residues pruned to eliminate duplicates Z: 9 10.669 1.713 0.212 0.858 1.000 0.750 CA 1.338 9 residues pruned to eliminate duplicates Z: 7 9.161 1.614 0.433 0.851 1.000 0.667 CA 1.197 7 residues pruned to eliminate duplicates Z: 7 10.219 1.639 0.518 0.840 1.000 0.833 CA 1.252 7 residues pruned to eliminate duplicates Z: 10 7.215 1.937 0.163 0.300 0.889 0.556 CA 1.501 10 residues pruned to eliminate duplicates Z: 8 9.557 2.024 0.307 0.462 1.000 0.714 CA 1.420 8 residues pruned to eliminate duplicates Z: 9 10.410 1.973 0.468 0.394 1.000 0.750 CB 1.422 9 residues pruned to eliminate duplicates Z: 13 8.742 1.784 0.412 0.314 0.917 0.500 CB 1.342 13 residues pruned to eliminate duplicates Z: 12 8.144 1.812 0.419 0.357 0.818 0.636 CA 1.362 12 residues pruned to eliminate duplicates Z: 12 7.884 1.832 0.308 0.350 0.909 0.455 CB 1.283 12 residues pruned to eliminate duplicates Z: 9 9.774 1.976 0.374 0.388 1.000 0.625 CA 1.433 9 residues pruned to eliminate duplicates Z: 10 8.869 1.945 0.372 0.351 0.889 0.556 CB 1.465 10 residues pruned to eliminate duplicates Z: 7 3.103 1.507 0.326 0.585 0.833 0.500 N 0.701 5 residues pruned to eliminate duplicates Z: 8 12.137 1.779 0.452 0.879 1.000 0.857 CA 1.288 8 residues pruned to eliminate duplicates Z: 10 8.107 1.628 0.167 0.832 1.000 0.778 CA 1.068 10 residues pruned to eliminate duplicates Z: 9 8.752 1.644 0.769 0.748 0.750 0.625 CB 1.136 9 residues pruned to eliminate duplicates Z: 7 10.876 1.793 0.518 0.849 1.000 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 8 10.896 1.690 1.019 0.841 0.857 0.429 CB 1.050 8 residues pruned to eliminate duplicates Z: 9 15.411 1.710 1.199 0.871 1.000 0.500 CB 1.057 8 residues pruned to eliminate duplicates Z: 6 2.935 1.461 0.375 0.399 1.000 0.600 CB 0.726 6 residues pruned to eliminate duplicates Z: 11 4.481 1.585 0.360 0.354 0.800 0.500 CB 0.961 9 residues pruned to eliminate duplicates Z: 11 10.527 1.713 0.544 0.816 0.900 0.700 CB 1.063 11 residues pruned to eliminate duplicates Z: 9 10.259 1.839 0.144 0.837 1.000 0.875 CB 1.290 9 residues pruned to eliminate duplicates Z: 9 6.255 1.776 0.187 0.706 0.875 0.625 CB 0.994 9 residues pruned to eliminate duplicates Z: 10 12.719 1.772 0.523 0.896 1.000 0.778 CB 1.126 10 residues pruned to eliminate duplicates Z: 7 5.387 1.866 0.194 0.565 0.833 0.667 CA 1.112 7 residues pruned to eliminate duplicates Z: 10 8.479 1.726 0.563 0.778 0.889 0.667 CB 0.922 10 residues pruned to eliminate duplicates Z: 18 11.451 1.662 0.438 0.490 0.882 0.471 CB 1.331 19 residues pruned to eliminate duplicates Z: 6 5.541 1.354 0.981 0.638 0.800 0.800 CA 1.015 Z: 6 2.859 1.371 0.565 0.617 0.600 0.400 CA 0.889 5 residues pruned to eliminate duplicates Z: 11 13.903 1.889 0.319 0.873 1.000 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 3.609 1.663 0.335 0.355 0.625 0.250 CB 1.076 9 residues pruned to eliminate duplicates Z: 12 12.492 1.784 0.438 0.700 1.000 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 12 11.646 1.807 0.383 0.741 1.000 0.727 CB 1.132 12 residues pruned to eliminate duplicates Z: 13 12.110 1.737 0.622 0.689 1.000 0.667 CB 1.043 13 residues pruned to eliminate duplicates Z: 11 13.952 1.855 0.472 0.727 1.000 0.600 CB 1.316 11 residues pruned to eliminate duplicates Z: 11 9.682 1.736 0.402 0.712 0.900 0.600 CB 1.154 11 residues pruned to eliminate duplicates Z: 10 9.852 1.807 0.350 0.674 0.889 0.556 CB 1.289 10 residues pruned to eliminate duplicates Z: 11 9.453 1.753 0.584 0.504 0.900 0.600 CB 1.192 11 residues pruned to eliminate duplicates Z: 9 7.917 1.837 0.177 0.631 0.875 0.625 CB 1.309 9 residues pruned to eliminate duplicates Z: 12 12.047 1.699 0.619 0.657 1.000 0.545 CB 1.141 12 residues pruned to eliminate duplicates Z: 29 16.329 1.922 0.389 0.558 0.857 0.607 CB 1.274 31 residues pruned to eliminate duplicates Z: 6 4.771 1.646 0.438 0.340 1.000 0.600 CA 1.073 Z: 6 6.049 1.549 0.417 0.405 1.000 0.800 O 1.362 6 residues pruned to eliminate duplicates Z: 8 7.453 1.993 0.267 0.341 1.000 0.429 CB 1.326 14 residues pruned to eliminate duplicates Z: 10 6.064 1.892 0.403 0.270 0.889 0.778 CB 1.113 10 residues pruned to eliminate duplicates Z: 14 10.026 1.943 0.340 0.363 0.923 0.538 CB 1.342 14 residues pruned to eliminate duplicates Z: 29 20.926 1.946 0.570 0.534 0.893 0.607 CB 1.401 29 residues pruned to eliminate duplicates Z: 20 10.407 1.909 0.381 0.322 0.895 0.263 CB 1.230 20 residues pruned to eliminate duplicates Z: 11 7.121 2.027 0.522 0.335 0.700 0.600 CB 1.249 11 residues pruned to eliminate duplicates Z: 30 20.756 1.886 0.711 0.553 0.897 0.586 CB 1.265 42 residues pruned to eliminate duplicates Z: 7 2.085 1.269 0.819 0.332 0.833 0.333 CA 0.532 7 residues pruned to eliminate duplicates Z: 30 23.319 1.958 0.547 0.582 0.897 0.690 CA 1.473 30 residues pruned to eliminate duplicates Z: 17 18.741 1.766 0.551 0.803 1.000 0.812 CA 1.313 17 residues pruned to eliminate duplicates Z: 27 21.946 1.988 0.617 0.586 0.885 0.615 CB 1.394 27 residues pruned to eliminate duplicates Z: 29 21.593 1.960 0.560 0.578 0.964 0.536 CB 1.284 29 residues pruned to eliminate duplicates Z: 13 21.437 1.999 0.812 0.809 0.917 0.750 CA 1.424 13 residues pruned to eliminate duplicates Z: 25 16.582 1.868 0.615 0.470 0.917 0.625 CB 1.262 25 residues pruned to eliminate duplicates Z: 15 21.267 1.987 0.612 0.760 1.000 0.786 CB 1.409 15 residues pruned to eliminate duplicates Z: 35 18.572 1.898 0.539 0.495 0.882 0.647 CB 1.243 30 residues pruned to eliminate duplicates Z: 15 19.526 1.875 0.731 0.844 0.857 0.714 CB 1.396 15 residues pruned to eliminate duplicates Z: 30 19.883 1.914 0.569 0.568 0.931 0.724 CB 1.236 30 residues pruned to eliminate duplicates Z: 28 17.360 1.931 0.478 0.577 0.889 0.741 CB 1.223 28 residues pruned to eliminate duplicates Z: 29 21.625 1.970 0.539 0.587 0.929 0.679 CB 1.336 36 residues pruned to eliminate duplicates Z: 15 22.778 1.878 0.841 0.882 0.929 0.714 CB 1.372 15 residues pruned to eliminate duplicates Z: 16 23.410 1.811 0.832 0.870 1.000 0.467 CB 1.330 16 residues pruned to eliminate duplicates Z: 13 12.164 1.617 0.641 0.636 0.833 0.500 CB 1.398 9 residues pruned to eliminate duplicates Z: 21 19.352 1.760 0.592 0.848 0.900 0.900 CB 1.274 22 residues pruned to eliminate duplicates Z: 21 16.494 1.634 0.413 0.861 0.950 0.800 CB 1.235 21 residues pruned to eliminate duplicates Z: 8 13.007 1.882 0.622 0.825 0.857 0.714 CB 1.418 8 residues pruned to eliminate duplicates Z: 11 7.760 1.739 0.555 0.472 0.800 0.400 CB 1.167 11 residues pruned to eliminate duplicates Z: 57 34.358 1.977 0.631 0.641 0.893 0.643 CB 1.397 63 residues pruned to eliminate duplicates Z: 17 22.569 1.924 0.480 0.905 0.938 0.875 CB 1.504 17 residues pruned to eliminate duplicates Z: 29 20.397 1.880 0.615 0.669 0.893 0.643 CB 1.216 29 residues pruned to eliminate duplicates Z: 16 16.839 1.818 0.656 0.721 0.867 0.600 CA 1.365 16 residues pruned to eliminate duplicates Z: 17 24.200 1.944 0.640 0.856 0.938 0.750 CB 1.493 17 residues pruned to eliminate duplicates Z: 19 22.822 1.899 0.730 0.771 0.889 0.667 CB 1.448 19 residues pruned to eliminate duplicates Z: 60 36.347 1.997 0.665 0.614 0.898 0.610 CB 1.421 57 residues pruned to eliminate duplicates Z: 18 23.263 1.856 0.809 0.857 0.941 0.588 CB 1.315 18 residues pruned to eliminate duplicates Z: 18 19.644 1.871 0.663 0.850 0.941 0.588 CB 1.205 18 residues pruned to eliminate duplicates Z: 19 23.760 1.901 0.885 0.783 0.944 0.722 CB 1.290 19 residues pruned to eliminate duplicates Z: 18 19.146 1.859 0.868 0.783 0.941 0.471 CB 1.108 18 residues pruned to eliminate duplicates Z: 27 26.811 1.945 0.720 0.708 0.923 0.654 CB 1.409 27 residues pruned to eliminate duplicates Z: 26 25.989 1.930 0.776 0.744 0.920 0.760 CB 1.326 26 residues pruned to eliminate duplicates Z: 28 27.001 1.924 0.761 0.728 0.926 0.630 CB 1.348 30 residues pruned to eliminate duplicates Z: 9 8.143 1.779 0.738 0.595 0.875 0.500 CB 0.972 9 residues pruned to eliminate duplicates Z: 25 19.389 1.869 0.825 0.608 0.750 0.583 CB 1.396 25 residues pruned to eliminate duplicates Z: 42 29.838 2.028 0.553 0.607 0.951 0.683 CB 1.405 42 residues pruned to eliminate duplicates Z: 27 29.380 1.933 0.922 0.769 0.885 0.500 CB 1.382 27 residues pruned to eliminate duplicates Z: 36 25.668 1.825 0.813 0.634 0.857 0.629 CB 1.350 36 residues pruned to eliminate duplicates Z: 12 9.171 1.601 0.610 0.547 0.818 0.455 CB 1.253 12 residues pruned to eliminate duplicates Z: 26 26.221 1.834 0.912 0.711 0.880 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 16 15.324 1.909 0.785 0.579 0.800 0.667 CB 1.345 16 residues pruned to eliminate duplicates Z: 21 11.278 1.804 0.708 0.425 0.700 0.600 CB 1.264 21 residues pruned to eliminate duplicates Z: 6 3.565 1.645 0.652 0.363 0.600 0.200 CB 1.132 6 residues pruned to eliminate duplicates Z: 45 26.952 2.006 0.441 0.534 0.932 0.659 CB 1.459 45 residues pruned to eliminate duplicates Z: 9 5.018 1.661 0.091 0.476 0.875 0.500 CB 1.146 Z: 23 24.310 1.947 0.542 0.703 1.000 0.636 CB 1.435 32 residues pruned to eliminate duplicates Z: 21 23.063 2.090 0.527 0.713 0.850 0.650 CB 1.566 21 residues pruned to eliminate duplicates Z: 32 32.573 2.073 0.765 0.637 0.968 0.516 CB 1.453 32 residues pruned to eliminate duplicates Z: 16 23.798 2.247 0.413 0.822 0.867 0.733 CB 1.689 16 residues pruned to eliminate duplicates Z: 35 22.827 1.971 0.469 0.536 0.912 0.500 CB 1.431 35 residues pruned to eliminate duplicates Z: 33 22.828 2.067 0.334 0.578 0.969 0.719 CB 1.402 33 residues pruned to eliminate duplicates Z: 32 27.541 2.073 0.522 0.617 0.968 0.742 CB 1.450 32 residues pruned to eliminate duplicates Z: 31 27.070 2.093 0.588 0.596 0.967 0.600 CB 1.403 31 residues pruned to eliminate duplicates Z: 32 31.904 2.088 0.667 0.632 1.000 0.710 CB 1.454 32 residues pruned to eliminate duplicates Z: 32 25.248 2.079 0.480 0.586 1.000 0.645 CB 1.358 32 residues pruned to eliminate duplicates Z: 32 25.938 2.085 0.494 0.586 1.000 0.613 CB 1.377 32 residues pruned to eliminate duplicates Z: 34 26.333 2.039 0.612 0.600 0.939 0.697 CB 1.349 34 residues pruned to eliminate duplicates Z: 31 28.197 2.116 0.492 0.625 1.000 0.633 CB 1.448 31 residues pruned to eliminate duplicates Z: 29 23.518 2.107 0.408 0.604 0.964 0.679 CB 1.407 29 residues pruned to eliminate duplicates Z: 32 24.457 2.077 0.450 0.622 0.935 0.742 CB 1.389 32 residues pruned to eliminate duplicates Z: 30 24.678 2.073 0.478 0.611 0.897 0.586 CB 1.502 30 residues pruned to eliminate duplicates Z: 33 26.701 2.077 0.524 0.613 0.969 0.688 CB 1.384 33 residues pruned to eliminate duplicates Z: 32 29.955 2.103 0.597 0.652 0.968 0.774 CB 1.437 32 residues pruned to eliminate duplicates Z: 21 16.501 1.940 0.401 0.751 0.800 0.450 CB 1.356 21 residues pruned to eliminate duplicates Z: 32 28.532 2.098 0.565 0.642 0.968 0.645 CB 1.412 32 residues pruned to eliminate duplicates Z: 32 28.662 2.084 0.610 0.652 0.935 0.677 CB 1.423 32 residues pruned to eliminate duplicates Z: 30 25.384 2.036 0.669 0.585 0.931 0.483 CB 1.373 30 residues pruned to eliminate duplicates Z: 32 27.505 2.089 0.512 0.641 0.968 0.710 CB 1.416 32 residues pruned to eliminate duplicates Z: 33 25.516 2.033 0.477 0.634 0.969 0.688 CB 1.367 33 residues pruned to eliminate duplicates Z: 32 28.073 2.095 0.516 0.636 1.000 0.645 CB 1.398 32 residues pruned to eliminate duplicates Z: 31 32.652 2.104 0.721 0.658 1.000 0.700 CB 1.421 31 residues pruned to eliminate duplicates Z: 32 28.563 2.081 0.636 0.630 0.935 0.742 CB 1.425 32 residues pruned to eliminate duplicates Z: 12 13.688 1.802 0.847 0.841 0.909 0.727 CB 1.017 12 residues pruned to eliminate duplicates Z: 11 17.984 2.013 0.551 0.899 1.000 0.900 CB 1.302 15 residues pruned to eliminate duplicates Z: 12 19.877 1.891 0.795 0.913 1.000 0.818 CB 1.249 11 residues pruned to eliminate duplicates Z: 11 15.006 1.832 0.590 0.882 1.000 1.000 CB 1.179 11 residues pruned to eliminate duplicates Z: 12 13.450 1.879 0.564 0.887 0.909 0.818 CB 1.094 12 residues pruned to eliminate duplicates Z: 10 13.699 2.031 0.620 0.794 0.889 0.667 CB 1.207 10 residues pruned to eliminate duplicates Z: 18 11.191 1.852 0.412 0.566 0.882 0.706 CB 1.103 18 residues pruned to eliminate duplicates Z: 19 18.850 2.134 0.588 0.540 0.944 0.611 CB 1.335 13 residues pruned to eliminate duplicates Z: 10 13.182 2.116 0.107 0.904 1.000 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 14 13.367 2.077 0.522 0.572 0.923 0.692 CA 1.185 16 residues pruned to eliminate duplicates Z: 10 13.111 1.952 0.203 0.883 1.000 0.889 CB 1.345 9 residues pruned to eliminate duplicates Z: 11 13.414 2.075 0.338 0.731 1.000 0.700 CA 1.241 11 residues pruned to eliminate duplicates Z: 24 9.312 1.771 0.433 0.273 0.826 0.348 CB 1.198 12 residues pruned to eliminate duplicates Z: 7 5.776 1.705 0.383 0.464 1.000 0.667 CA 1.037 7 residues pruned to eliminate duplicates Z: 29 16.962 1.952 0.512 0.470 0.821 0.500 CB 1.363 32 residues pruned to eliminate duplicates Z: 7 2.083 1.253 0.512 0.261 1.000 0.167 CB 0.590 7 residues pruned to eliminate duplicates Z: 27 12.773 1.778 0.408 0.376 0.885 0.577 CB 1.291 27 residues pruned to eliminate duplicates 823 residues left after pruning, divided into chains as follows: A: 8 B: 127 C: 7 D: 7 E: 6 F: 6 G: 8 H: 10 I: 10 J: 6 K: 16 L: 10 M: 20 N: 9 O: 42 P: 9 Q: 20 R: 6 S: 30 T: 15 U: 7 V: 27 W: 9 X: 13 Y: 11 Z: 19 Z: 21 Z: 39 Z: 14 Z: 64 Z: 10 Z: 9 Z: 12 Z: 25 Z: 58 Z: 44 Z: 34 Z: 35 CC for partial structure against native data = 31.37 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.437, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.500, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.593, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.600, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.607, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.608, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.609, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4648 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1147 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 30.065 2.063 0.712 0.942 1.000 0.923 CB 1.637 B: 15 23.110 1.993 0.518 0.876 1.000 0.786 CB 1.484 C: 15 27.672 1.971 0.680 0.933 0.929 0.929 CB 1.679 14 residues pruned to eliminate duplicates D: 15 21.904 1.951 0.599 0.860 0.929 0.786 CB 1.487 15 residues pruned to eliminate duplicates E: 12 16.591 1.940 0.577 0.823 0.909 0.727 CB 1.358 F: 16 32.027 2.096 0.965 0.936 1.000 0.867 CA 1.398 G: 14 20.192 2.025 0.597 0.910 0.923 0.615 CB 1.330 14 residues pruned to eliminate duplicates H: 37 16.543 1.951 0.601 0.368 0.861 0.472 CB 1.181 15 residues pruned to eliminate duplicates I: 16 31.778 2.075 0.906 0.929 1.000 0.800 CA 1.451 16 residues pruned to eliminate duplicates J: 16 24.796 1.900 0.553 0.929 1.000 0.867 CB 1.518 16 residues pruned to eliminate duplicates K: 18 21.736 2.059 0.310 0.839 0.882 0.824 CB 1.654 L: 9 14.536 2.101 0.295 0.819 1.000 0.875 CB 1.432 9 residues pruned to eliminate duplicates M: 19 19.659 1.975 0.411 0.744 1.000 0.722 CB 1.337 N: 18 26.955 1.812 0.735 0.902 1.000 0.941 CB 1.483 O: 17 25.460 2.103 0.684 0.764 0.938 0.688 CB 1.516 15 residues pruned to eliminate duplicates P: 11 13.726 1.989 0.501 0.741 0.900 0.700 CA 1.302 Q: 14 17.013 1.947 0.867 0.892 0.846 0.385 CB 1.102 14 residues pruned to eliminate duplicates R: 17 30.590 2.107 0.695 0.818 1.000 0.688 CB 1.625 20 residues pruned to eliminate duplicates S: 11 14.793 2.009 0.634 0.813 0.800 0.700 CB 1.357 11 residues pruned to eliminate duplicates T: 14 28.732 1.995 0.709 0.903 1.000 0.923 CB 1.666 14 residues pruned to eliminate duplicates U: 10 22.251 2.052 0.803 0.909 1.000 1.000 CB 1.423 11 residues pruned to eliminate duplicates V: 17 23.654 1.852 0.610 0.937 1.000 0.938 CB 1.381 W: 24 17.557 2.055 0.626 0.391 0.870 0.348 CB 1.414 10 residues pruned to eliminate duplicates X: 48 22.497 1.840 0.536 0.521 0.809 0.617 CB 1.406 18 residues pruned to eliminate duplicates Y: 16 34.524 2.059 1.078 0.938 1.000 0.733 CA 1.449 16 residues pruned to eliminate duplicates Z: 15 27.502 1.959 0.704 0.913 0.929 0.643 CB 1.679 15 residues pruned to eliminate duplicates Z: 18 25.379 2.102 0.427 0.834 0.941 0.765 CB 1.635 17 residues pruned to eliminate duplicates Z: 14 11.228 1.834 0.339 0.847 0.923 0.769 CB 1.020 Z: 17 25.831 1.859 0.664 0.909 0.938 0.875 CA 1.581 17 residues pruned to eliminate duplicates Z: 16 28.574 2.096 0.706 0.937 1.000 0.933 CA 1.436 16 residues pruned to eliminate duplicates Z: 26 23.921 1.871 1.078 0.731 0.880 0.440 CB 1.136 Z: 17 24.511 1.888 0.649 0.890 0.938 0.812 CB 1.511 17 residues pruned to eliminate duplicates Z: 11 10.838 1.852 0.304 0.809 1.000 0.600 CB 1.084 11 residues pruned to eliminate duplicates Z: 13 14.619 1.859 0.492 0.813 0.917 0.750 CB 1.265 Z: 15 21.342 1.911 0.577 0.925 1.000 0.929 CA 1.328 Z: 9 8.956 1.624 0.891 0.836 0.750 0.625 CB 1.029 Z: 18 27.535 2.103 0.887 0.806 0.882 0.765 CB 1.461 18 residues pruned to eliminate duplicates Z: 11 13.740 1.899 0.546 0.877 0.900 0.800 CB 1.194 Z: 21 22.453 1.998 0.544 0.721 0.900 0.750 CB 1.482 22 residues pruned to eliminate duplicates Z: 26 11.062 1.940 0.264 0.358 0.800 0.640 CB 1.314 9 residues pruned to eliminate duplicates Z: 9 8.610 1.647 0.466 0.763 0.875 0.625 CA 1.141 Z: 17 13.200 1.780 0.229 0.781 1.000 0.750 CB 1.177 14 residues pruned to eliminate duplicates Z: 14 20.050 1.997 0.218 0.909 1.000 0.923 CA 1.623 14 residues pruned to eliminate duplicates Z: 15 27.643 2.083 0.822 0.902 1.000 0.929 CA 1.388 15 residues pruned to eliminate duplicates Z: 7 13.623 1.706 1.092 0.890 1.000 0.500 CA 1.121 Z: 12 10.939 1.766 0.278 0.850 0.909 0.727 CA 1.190 11 residues pruned to eliminate duplicates Z: 12 18.755 2.042 0.448 0.700 1.000 0.545 CA 1.594 12 residues pruned to eliminate duplicates Z: 14 21.553 1.949 0.573 0.908 1.000 1.000 CB 1.385 14 residues pruned to eliminate duplicates Z: 12 14.378 1.926 0.439 0.819 0.909 0.818 CB 1.305 12 residues pruned to eliminate duplicates Z: 7 4.228 1.884 0.110 0.240 0.833 0.500 CB 1.337 Z: 11 15.938 2.007 0.638 0.742 0.900 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 9 6.321 1.805 0.545 0.356 0.750 0.625 CA 1.247 Z: 16 25.858 2.055 0.660 0.927 1.000 1.000 CA 1.372 16 residues pruned to eliminate duplicates Z: 12 9.233 1.740 0.660 0.380 0.818 0.364 CB 1.339 Z: 28 22.065 1.923 0.541 0.619 0.963 0.704 CB 1.331 22 residues pruned to eliminate duplicates Z: 9 18.226 1.876 0.840 0.853 1.000 0.875 N 1.379 Z: 6 9.695 2.038 0.192 0.682 1.000 0.800 CB 1.510 Z: 6 4.023 1.456 0.435 0.474 0.800 0.600 CB 1.105 Z: 7 13.097 1.810 0.649 0.819 1.000 0.667 CA 1.358 6 residues pruned to eliminate duplicates Z: 14 22.484 1.973 0.610 0.937 1.000 0.923 CB 1.366 14 residues pruned to eliminate duplicates Z: 16 29.756 1.954 0.737 0.910 1.000 0.867 CA 1.606 16 residues pruned to eliminate duplicates Z: 9 10.191 1.656 0.273 0.832 1.000 0.875 CA 1.283 9 residues pruned to eliminate duplicates Z: 12 7.587 1.805 0.396 0.332 0.818 0.545 CB 1.334 Z: 12 13.545 1.574 0.794 0.870 0.909 0.636 CB 1.162 11 residues pruned to eliminate duplicates Z: 18 23.447 1.774 0.550 0.883 1.000 0.882 CB 1.495 18 residues pruned to eliminate duplicates Z: 11 13.142 1.798 0.644 0.858 0.900 0.600 CB 1.150 10 residues pruned to eliminate duplicates Z: 16 16.651 1.815 0.544 0.757 0.800 0.600 CA 1.525 16 residues pruned to eliminate duplicates Z: 15 23.292 2.034 0.685 0.869 1.000 0.857 CA 1.327 15 residues pruned to eliminate duplicates Z: 14 19.917 1.977 0.648 0.935 1.000 0.923 CB 1.182 Z: 15 30.816 2.001 0.715 0.913 1.000 1.000 CB 1.698 15 residues pruned to eliminate duplicates Z: 19 23.731 1.728 0.926 0.836 0.944 0.778 CA 1.332 19 residues pruned to eliminate duplicates Z: 7 8.774 1.802 0.608 0.852 1.000 0.667 CB 0.915 Z: 30 11.675 1.643 0.488 0.399 0.828 0.379 CB 1.192 Z: 17 10.710 1.907 0.245 0.505 0.875 0.438 CB 1.283 17 residues pruned to eliminate duplicates Z: 15 23.369 1.980 0.654 0.851 0.929 0.500 CB 1.520 15 residues pruned to eliminate duplicates Z: 15 19.032 1.913 0.497 0.927 1.000 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 15 16.183 1.841 0.875 0.842 0.857 0.500 CB 1.089 15 residues pruned to eliminate duplicates Z: 19 21.075 1.892 0.514 0.799 0.944 0.833 CB 1.413 19 residues pruned to eliminate duplicates Z: 10 5.228 1.689 0.216 0.357 0.778 0.667 CA 1.273 Z: 18 22.119 1.801 0.709 0.755 1.000 0.588 CA 1.388 Z: 9 6.425 1.656 0.381 0.535 0.875 0.625 CA 1.097 6 residues pruned to eliminate duplicates Z: 18 24.324 1.952 0.665 0.840 0.941 0.824 CB 1.439 23 residues pruned to eliminate duplicates Z: 23 12.003 1.792 0.362 0.419 0.864 0.636 CB 1.321 Z: 20 22.933 1.932 0.575 0.752 0.947 0.737 CB 1.457 20 residues pruned to eliminate duplicates Z: 17 17.722 1.826 0.485 0.770 0.938 0.750 CA 1.372 17 residues pruned to eliminate duplicates Z: 11 8.273 1.913 0.431 0.407 0.800 0.400 N 1.316 17 residues pruned to eliminate duplicates Z: 9 10.245 1.990 0.349 0.865 0.875 0.750 CA 1.130 9 residues pruned to eliminate duplicates Z: 12 7.846 1.822 0.280 0.423 0.818 0.455 CB 1.343 7 residues pruned to eliminate duplicates Z: 14 22.299 2.057 0.674 0.909 0.923 0.692 CB 1.381 14 residues pruned to eliminate duplicates Z: 16 22.052 2.030 0.560 0.885 0.933 0.867 CA 1.391 16 residues pruned to eliminate duplicates Z: 15 12.627 1.985 0.372 0.426 0.857 0.714 CA 1.560 15 residues pruned to eliminate duplicates Z: 17 29.080 1.972 0.855 0.905 1.000 0.938 CA 1.415 17 residues pruned to eliminate duplicates Z: 15 21.209 1.940 0.336 0.894 0.929 0.857 CA 1.689 15 residues pruned to eliminate duplicates Z: 45 33.856 1.925 0.742 0.646 0.932 0.614 CB 1.426 45 residues pruned to eliminate duplicates Z: 21 22.237 1.937 0.561 0.724 0.900 0.600 CA 1.493 21 residues pruned to eliminate duplicates Z: 15 26.364 1.924 0.979 0.916 0.929 0.786 CA 1.407 9 residues pruned to eliminate duplicates Z: 23 22.049 1.958 0.701 0.736 0.773 0.636 CA 1.478 23 residues pruned to eliminate duplicates Z: 12 23.189 2.048 0.806 0.809 1.000 0.727 CB 1.444 13 residues pruned to eliminate duplicates Z: 9 8.489 1.933 0.393 0.567 0.750 0.625 CB 1.393 9 residues pruned to eliminate duplicates Z: 7 4.964 1.539 0.485 0.484 0.833 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 18 23.286 1.771 0.617 0.879 1.000 0.824 CB 1.430 18 residues pruned to eliminate duplicates Z: 18 25.057 2.096 0.641 0.800 0.882 0.765 CB 1.541 18 residues pruned to eliminate duplicates Z: 22 26.445 1.919 0.595 0.806 0.952 0.762 CB 1.516 18 residues pruned to eliminate duplicates Z: 15 16.775 1.779 0.376 0.873 1.000 0.857 CA 1.334 15 residues pruned to eliminate duplicates Z: 37 28.236 1.955 0.619 0.677 0.861 0.639 CB 1.466 26 residues pruned to eliminate duplicates Z: 14 24.580 1.919 0.780 0.884 1.000 0.846 CA 1.442 15 residues pruned to eliminate duplicates Z: 10 13.967 2.059 0.446 0.809 0.889 0.889 CB 1.345 10 residues pruned to eliminate duplicates Z: 14 10.933 1.739 0.634 0.756 1.000 0.769 CB 0.850 12 residues pruned to eliminate duplicates Z: 41 19.687 1.884 0.458 0.542 0.900 0.700 CB 1.209 39 residues pruned to eliminate duplicates Z: 9 8.601 1.857 0.390 0.605 1.000 0.875 CB 1.066 9 residues pruned to eliminate duplicates Z: 16 24.011 2.075 0.561 0.905 1.000 0.933 CA 1.363 16 residues pruned to eliminate duplicates Z: 6 7.171 1.640 0.435 0.707 1.000 0.800 O 1.129 6 residues pruned to eliminate duplicates Z: 8 6.157 1.587 0.378 0.528 0.857 0.143 CA 1.208 Z: 15 22.949 1.872 0.597 0.884 1.000 0.857 N 1.482 15 residues pruned to eliminate duplicates Z: 7 11.609 1.770 0.709 0.856 0.833 0.167 N 1.386 Z: 17 20.503 1.862 0.628 0.833 0.938 0.688 CB 1.352 17 residues pruned to eliminate duplicates Z: 16 13.527 1.849 0.702 0.844 0.600 0.600 CB 1.376 16 residues pruned to eliminate duplicates Z: 22 18.179 1.930 0.586 0.525 0.905 0.714 CA 1.398 8 residues pruned to eliminate duplicates Z: 11 9.940 1.765 0.296 0.792 1.000 0.800 CB 1.064 11 residues pruned to eliminate duplicates Z: 20 23.223 2.033 0.511 0.791 0.842 0.632 CB 1.596 20 residues pruned to eliminate duplicates Z: 63 29.329 1.941 0.530 0.563 0.887 0.645 CB 1.331 79 residues pruned to eliminate duplicates Z: 19 12.497 1.932 0.484 0.390 0.944 0.444 CB 1.222 18 residues pruned to eliminate duplicates Z: 12 15.299 1.881 0.589 0.759 1.000 0.545 CB 1.226 13 residues pruned to eliminate duplicates Z: 8 4.435 1.630 -0.036 0.440 0.857 0.429 CB 1.324 Z: 15 17.185 1.899 0.455 0.873 0.929 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 17 22.281 1.880 0.426 0.927 1.000 0.812 CB 1.456 17 residues pruned to eliminate duplicates Z: 14 21.862 1.977 0.701 0.940 1.000 0.846 CB 1.252 14 residues pruned to eliminate duplicates Z: 17 19.592 1.776 0.519 0.830 0.938 0.875 CB 1.456 17 residues pruned to eliminate duplicates Z: 16 27.427 1.937 0.729 0.858 1.000 0.867 CB 1.557 16 residues pruned to eliminate duplicates Z: 16 24.424 1.844 0.799 0.874 0.933 0.667 N 1.483 15 residues pruned to eliminate duplicates Z: 15 26.009 1.956 0.555 0.919 1.000 0.929 CB 1.612 15 residues pruned to eliminate duplicates Z: 11 5.005 1.549 0.293 0.442 0.800 0.600 CB 1.048 11 residues pruned to eliminate duplicates Z: 14 18.482 1.903 0.730 0.870 1.000 0.769 CB 1.136 14 residues pruned to eliminate duplicates Z: 17 25.870 1.872 0.916 0.813 1.000 0.812 CB 1.374 17 residues pruned to eliminate duplicates Z: 19 18.306 1.794 0.328 0.899 0.889 0.833 CB 1.456 17 residues pruned to eliminate duplicates Z: 7 2.587 1.435 0.549 0.418 0.500 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 6 10.869 1.826 0.812 0.877 1.000 0.600 CB 1.067 6 residues pruned to eliminate duplicates Z: 29 22.086 1.922 0.642 0.546 0.929 0.571 CB 1.362 29 residues pruned to eliminate duplicates Z: 16 22.032 1.877 0.595 0.935 1.000 0.867 CB 1.324 16 residues pruned to eliminate duplicates Z: 8 14.516 2.128 0.596 0.812 0.857 0.286 CB 1.436 Z: 17 21.019 1.869 0.801 0.843 0.938 0.625 CA 1.240 17 residues pruned to eliminate duplicates Z: 14 14.308 1.879 0.779 0.821 0.846 0.846 CB 1.062 14 residues pruned to eliminate duplicates Z: 18 7.734 1.707 0.187 0.389 0.824 0.471 N 1.264 18 residues pruned to eliminate duplicates Z: 13 16.639 1.775 0.705 0.815 0.917 0.667 CB 1.317 13 residues pruned to eliminate duplicates Z: 18 24.748 1.888 0.723 0.943 0.941 0.941 CB 1.359 19 residues pruned to eliminate duplicates Z: 15 22.586 1.853 0.757 0.907 1.000 0.786 CA 1.317 Z: 17 26.094 1.900 0.660 0.914 0.938 0.875 CB 1.561 17 residues pruned to eliminate duplicates Z: 14 19.710 1.902 0.878 0.900 0.846 0.538 CA 1.292 14 residues pruned to eliminate duplicates Z: 20 8.490 1.679 0.315 0.413 0.947 0.421 CB 1.020 7 residues pruned to eliminate duplicates Z: 14 22.364 1.934 0.504 0.901 1.000 0.923 CA 1.522 14 residues pruned to eliminate duplicates Z: 10 13.531 1.925 0.595 0.817 0.889 0.778 CB 1.255 12 residues pruned to eliminate duplicates Z: 7 8.354 1.688 0.900 0.636 0.833 0.500 CB 1.124 7 residues pruned to eliminate duplicates Z: 16 30.912 2.203 0.813 0.852 1.000 0.800 CB 1.478 9 residues pruned to eliminate duplicates Z: 14 10.878 1.805 0.399 0.497 0.846 0.615 CA 1.416 12 residues pruned to eliminate duplicates Z: 6 4.040 1.727 0.356 0.567 0.800 0.600 CB 0.904 6 residues pruned to eliminate duplicates Z: 19 28.542 1.811 0.770 0.941 1.000 0.889 N 1.457 18 residues pruned to eliminate duplicates Z: 14 13.737 1.802 0.545 0.549 1.000 0.615 CB 1.305 Z: 15 27.264 1.872 0.953 0.833 1.000 0.786 CA 1.495 15 residues pruned to eliminate duplicates Z: 12 12.331 1.565 0.517 0.890 1.000 0.909 CB 1.127 Z: 17 27.063 1.855 1.039 0.914 1.000 0.875 CB 1.264 17 residues pruned to eliminate duplicates Z: 7 4.988 1.656 0.370 0.563 0.833 0.500 O 1.013 Z: 20 21.109 1.916 0.377 0.851 1.000 1.000 CA 1.359 20 residues pruned to eliminate duplicates Z: 10 5.595 1.697 0.406 0.551 0.667 0.556 CB 1.115 10 residues pruned to eliminate duplicates Z: 15 10.688 1.772 0.576 0.526 0.857 0.571 CB 1.163 15 residues pruned to eliminate duplicates Z: 14 17.388 1.990 0.391 0.889 0.923 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 10 16.113 1.860 0.604 0.849 1.000 0.778 CB 1.334 Z: 34 27.180 1.916 0.656 0.639 0.939 0.727 CB 1.393 34 residues pruned to eliminate duplicates Z: 8 8.782 1.544 0.791 0.774 1.000 0.429 CB 0.942 7 residues pruned to eliminate duplicates Z: 16 22.158 1.869 0.630 0.858 1.000 0.933 CB 1.383 16 residues pruned to eliminate duplicates Z: 17 23.492 1.876 0.589 0.948 1.000 0.938 CB 1.360 17 residues pruned to eliminate duplicates Z: 15 13.457 1.749 0.587 0.830 0.857 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 11 14.390 1.589 0.719 0.866 1.000 0.700 N 1.219 Z: 13 21.858 2.017 0.866 0.922 0.917 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 13 17.865 1.824 0.770 0.792 1.000 0.750 CB 1.236 13 residues pruned to eliminate duplicates Z: 6 5.884 1.610 0.380 0.793 0.800 0.600 CB 1.145 Z: 6 3.038 1.672 -0.115 0.460 0.800 0.600 CB 1.195 Z: 12 14.920 1.601 0.869 0.784 1.000 0.818 CB 1.171 12 residues pruned to eliminate duplicates Z: 15 16.628 1.861 0.322 0.928 1.000 0.857 CA 1.264 15 residues pruned to eliminate duplicates Z: 15 10.155 1.744 0.629 0.423 0.857 0.429 CB 1.208 15 residues pruned to eliminate duplicates Z: 7 9.673 1.494 0.918 0.783 1.000 0.667 O 1.074 7 residues pruned to eliminate duplicates Z: 19 23.244 2.013 0.622 0.714 0.889 0.611 CB 1.555 19 residues pruned to eliminate duplicates Z: 9 11.737 1.894 0.667 0.832 0.875 0.875 CA 1.128 9 residues pruned to eliminate duplicates Z: 10 5.274 1.762 0.127 0.503 0.778 0.556 CB 1.135 10 residues pruned to eliminate duplicates Z: 14 26.836 1.940 0.921 0.921 1.000 0.846 CB 1.405 13 residues pruned to eliminate duplicates Z: 22 17.569 1.880 0.766 0.524 0.905 0.571 CB 1.247 8 residues pruned to eliminate duplicates Z: 12 10.016 1.846 0.116 0.849 0.909 0.909 CB 1.195 12 residues pruned to eliminate duplicates Z: 10 9.012 1.756 0.521 0.564 0.889 0.667 CB 1.189 9 residues pruned to eliminate duplicates Z: 13 12.912 1.781 0.505 0.865 0.917 0.667 CA 1.111 13 residues pruned to eliminate duplicates Z: 8 8.699 1.702 0.501 0.689 0.857 0.429 CB 1.263 6 residues pruned to eliminate duplicates Z: 13 11.224 1.506 0.561 0.838 1.000 0.833 CB 1.030 13 residues pruned to eliminate duplicates Z: 25 6.981 1.609 0.392 0.348 0.667 0.458 CB 1.125 25 residues pruned to eliminate duplicates Z: 8 7.754 1.565 0.482 0.555 1.000 0.571 CB 1.198 7 residues pruned to eliminate duplicates Z: 28 19.743 1.957 0.287 0.513 0.926 0.630 CB 1.609 26 residues pruned to eliminate duplicates Z: 9 13.334 2.094 0.263 0.872 1.000 1.000 CA 1.299 9 residues pruned to eliminate duplicates Z: 6 4.866 1.568 0.480 0.453 1.000 0.600 O 0.984 Z: 19 8.201 1.712 0.300 0.420 0.944 0.500 CB 1.000 20 residues pruned to eliminate duplicates Z: 16 14.409 2.016 0.210 0.879 0.867 0.867 CA 1.277 16 residues pruned to eliminate duplicates Z: 15 19.256 1.902 0.640 0.935 1.000 0.929 CB 1.150 15 residues pruned to eliminate duplicates Z: 17 23.216 1.873 0.683 0.836 1.000 0.812 CA 1.378 18 residues pruned to eliminate duplicates Z: 8 7.839 1.884 0.384 0.844 0.714 0.714 CB 1.184 9 residues pruned to eliminate duplicates Z: 6 5.763 1.776 0.840 0.499 0.800 0.600 CB 0.987 6 residues pruned to eliminate duplicates Z: 13 13.623 1.608 0.579 0.859 1.000 0.833 CB 1.141 Z: 25 16.331 1.943 0.479 0.420 0.875 0.625 CB 1.441 27 residues pruned to eliminate duplicates Z: 27 20.411 1.987 0.566 0.485 0.923 0.538 CB 1.414 27 residues pruned to eliminate duplicates Z: 6 6.737 1.762 0.118 0.722 1.000 1.000 CB 1.252 Z: 14 23.805 1.892 0.903 0.880 0.923 0.692 CB 1.440 15 residues pruned to eliminate duplicates Z: 9 6.088 1.574 0.877 0.854 0.750 0.750 CB 0.717 9 residues pruned to eliminate duplicates Z: 12 11.527 1.808 0.486 0.731 0.909 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 14 21.527 1.947 0.596 0.910 1.000 0.846 CA 1.363 14 residues pruned to eliminate duplicates Z: 7 5.390 1.627 0.255 0.635 0.667 0.167 CA 1.424 Z: 15 15.682 1.823 0.444 0.873 0.929 0.857 CB 1.249 15 residues pruned to eliminate duplicates Z: 40 17.206 1.908 0.409 0.388 0.872 0.487 CB 1.325 29 residues pruned to eliminate duplicates Z: 11 12.327 1.760 0.433 0.802 0.900 0.700 N 1.319 11 residues pruned to eliminate duplicates Z: 11 8.129 1.766 0.504 0.383 0.900 0.800 CB 1.218 Z: 17 22.379 1.799 0.774 0.880 0.938 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 6 4.619 1.461 0.516 0.563 0.800 0.400 CA 1.097 6 residues pruned to eliminate duplicates Z: 14 15.186 1.775 0.693 0.793 0.923 0.615 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 10.741 1.669 0.400 0.813 0.909 0.727 CA 1.161 12 residues pruned to eliminate duplicates Z: 15 16.236 1.893 0.417 0.887 0.929 0.714 CB 1.256 15 residues pruned to eliminate duplicates Z: 7 8.305 1.635 0.870 0.759 1.000 0.667 N 0.881 7 residues pruned to eliminate duplicates Z: 16 18.695 1.850 0.325 0.931 1.000 1.000 CB 1.376 16 residues pruned to eliminate duplicates Z: 16 21.376 1.855 0.682 0.787 1.000 0.733 CB 1.374 16 residues pruned to eliminate duplicates Z: 12 8.430 1.655 0.459 0.833 0.909 0.636 CB 0.869 12 residues pruned to eliminate duplicates Z: 18 27.347 2.114 0.559 0.804 0.941 0.588 CB 1.639 17 residues pruned to eliminate duplicates Z: 9 6.809 1.578 0.526 0.698 0.875 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 15 16.333 1.857 0.596 0.919 0.929 0.429 CB 1.118 15 residues pruned to eliminate duplicates Z: 8 3.712 1.687 0.485 0.369 0.857 0.429 CB 0.751 Z: 7 11.211 1.828 0.272 0.898 1.000 1.000 CB 1.408 Z: 13 20.038 1.921 0.606 0.922 1.000 0.917 CB 1.319 13 residues pruned to eliminate duplicates Z: 17 23.548 1.865 0.553 0.930 1.000 0.938 CB 1.421 17 residues pruned to eliminate duplicates Z: 16 6.189 1.763 0.431 0.260 0.733 0.600 CB 1.136 Z: 6 7.811 1.811 0.143 0.713 1.000 0.600 CB 1.391 5 residues pruned to eliminate duplicates Z: 10 7.641 1.615 0.442 0.567 0.889 0.444 CB 1.153 Z: 21 26.675 2.034 0.576 0.768 0.950 0.850 CB 1.545 21 residues pruned to eliminate duplicates Z: 35 20.458 1.895 0.458 0.486 0.941 0.559 CB 1.369 40 residues pruned to eliminate duplicates Z: 9 4.750 1.668 0.245 0.528 0.625 0.375 CB 1.258 9 residues pruned to eliminate duplicates Z: 15 28.701 1.981 0.800 0.933 1.000 0.357 CB 1.502 15 residues pruned to eliminate duplicates Z: 11 11.358 1.648 0.582 0.824 0.900 0.700 CB 1.156 11 residues pruned to eliminate duplicates Z: 7 9.009 1.695 0.242 0.870 1.000 1.000 CA 1.275 7 residues pruned to eliminate duplicates Z: 15 17.177 1.825 0.404 0.914 1.000 1.000 CB 1.267 15 residues pruned to eliminate duplicates Z: 14 10.926 1.703 0.413 0.769 0.846 0.538 CA 1.173 14 residues pruned to eliminate duplicates Z: 14 17.480 1.709 0.812 0.889 0.923 0.769 CB 1.221 14 residues pruned to eliminate duplicates Z: 11 18.283 1.937 0.566 0.829 1.000 0.800 CA 1.434 12 residues pruned to eliminate duplicates Z: 16 26.861 2.017 0.649 0.926 1.000 0.933 CA 1.462 16 residues pruned to eliminate duplicates Z: 12 17.550 1.906 0.601 0.793 1.000 0.818 CB 1.342 11 residues pruned to eliminate duplicates Z: 30 19.977 1.942 0.499 0.561 0.931 0.690 CB 1.290 30 residues pruned to eliminate duplicates Z: 6 7.432 1.527 0.571 0.848 1.000 0.800 CB 1.028 5 residues pruned to eliminate duplicates Z: 6 4.587 1.431 0.260 0.831 0.800 0.600 CA 1.068 6 residues pruned to eliminate duplicates Z: 7 9.355 1.728 0.769 0.846 0.833 0.333 CB 1.114 6 residues pruned to eliminate duplicates Z: 15 24.521 1.976 0.610 0.917 0.929 0.929 CB 1.566 15 residues pruned to eliminate duplicates Z: 7 10.884 1.682 0.684 0.823 1.000 0.667 CB 1.186 Z: 6 3.245 1.494 0.368 0.424 0.800 0.400 CA 0.961 Z: 19 21.554 1.951 0.635 0.805 0.889 0.611 CB 1.372 19 residues pruned to eliminate duplicates Z: 11 10.341 1.663 0.703 0.773 0.800 0.700 N 1.134 11 residues pruned to eliminate duplicates Z: 18 22.258 1.831 0.683 0.792 1.000 0.824 CA 1.356 17 residues pruned to eliminate duplicates Z: 45 20.393 1.897 0.468 0.420 0.841 0.523 CB 1.426 45 residues pruned to eliminate duplicates Z: 9 10.722 2.009 0.106 0.789 0.875 0.875 CB 1.513 9 residues pruned to eliminate duplicates Z: 16 26.785 2.057 0.783 0.853 1.000 0.800 CA 1.394 16 residues pruned to eliminate duplicates Z: 7 9.970 1.844 0.673 0.783 1.000 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 18 11.254 1.665 0.266 0.728 0.941 0.882 CB 1.120 17 residues pruned to eliminate duplicates Z: 8 9.486 1.583 0.545 0.850 1.000 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 20 11.917 1.880 0.513 0.376 0.842 0.526 CB 1.303 20 residues pruned to eliminate duplicates Z: 6 9.217 1.874 0.316 0.700 1.000 0.800 CB 1.393 6 residues pruned to eliminate duplicates Z: 8 10.254 1.758 0.184 0.905 1.000 1.000 CA 1.326 8 residues pruned to eliminate duplicates Z: 9 11.691 1.710 0.554 0.872 1.000 0.875 CB 1.134 8 residues pruned to eliminate duplicates Z: 35 21.390 1.901 0.604 0.471 0.853 0.500 CA 1.451 35 residues pruned to eliminate duplicates Z: 17 11.084 1.700 0.397 0.673 0.938 0.750 CB 1.061 11 residues pruned to eliminate duplicates Z: 13 11.909 1.857 0.549 0.418 0.917 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 15 12.436 1.811 0.568 0.849 0.929 0.500 CB 0.935 15 residues pruned to eliminate duplicates Z: 19 19.979 2.037 0.542 0.491 1.000 0.722 CA 1.512 26 residues pruned to eliminate duplicates Z: 16 23.509 1.897 0.798 0.815 1.000 0.667 CA 1.354 17 residues pruned to eliminate duplicates Z: 10 9.905 1.646 0.314 0.830 1.000 0.778 CA 1.148 Z: 16 23.850 2.082 0.638 0.913 0.933 0.867 CA 1.369 16 residues pruned to eliminate duplicates Z: 15 19.403 1.824 0.591 0.906 1.000 0.929 CB 1.271 15 residues pruned to eliminate duplicates Z: 9 11.403 1.955 0.197 0.892 1.000 0.875 CA 1.237 9 residues pruned to eliminate duplicates Z: 17 27.130 2.021 0.674 0.936 1.000 0.875 CA 1.396 16 residues pruned to eliminate duplicates Z: 23 11.462 2.029 0.318 0.499 0.818 0.636 CB 1.118 23 residues pruned to eliminate duplicates Z: 8 5.287 1.739 0.292 0.467 0.857 0.571 CB 1.074 Z: 8 12.981 1.630 1.023 0.873 1.000 0.857 CB 1.084 8 residues pruned to eliminate duplicates Z: 23 13.976 1.821 0.671 0.404 0.864 0.545 CB 1.254 23 residues pruned to eliminate duplicates Z: 18 18.706 1.902 0.595 0.833 0.882 0.765 CA 1.272 18 residues pruned to eliminate duplicates Z: 13 11.008 1.751 0.221 0.837 1.000 0.667 CA 1.111 13 residues pruned to eliminate duplicates Z: 13 7.073 1.529 0.586 0.396 0.750 0.583 CA 1.253 Z: 7 11.026 1.829 0.272 0.836 1.000 0.833 CB 1.448 7 residues pruned to eliminate duplicates Z: 17 22.361 1.884 0.527 0.916 0.938 0.812 CB 1.465 17 residues pruned to eliminate duplicates Z: 8 9.478 1.672 0.420 0.871 1.000 0.857 CA 1.101 7 residues pruned to eliminate duplicates Z: 18 24.905 1.861 0.568 0.929 1.000 0.824 CA 1.449 18 residues pruned to eliminate duplicates Z: 7 9.210 1.754 0.776 0.610 0.833 0.667 CB 1.306 7 residues pruned to eliminate duplicates Z: 13 11.122 1.675 0.514 0.572 0.917 0.667 CA 1.288 13 residues pruned to eliminate duplicates Z: 18 7.481 1.558 0.550 0.410 0.824 0.471 CB 1.002 14 residues pruned to eliminate duplicates Z: 9 11.361 1.776 0.191 0.877 1.000 0.750 CA 1.378 9 residues pruned to eliminate duplicates Z: 13 12.785 1.567 0.553 0.898 1.000 0.917 CB 1.084 12 residues pruned to eliminate duplicates Z: 47 20.668 1.864 0.460 0.450 0.804 0.587 CB 1.465 47 residues pruned to eliminate duplicates Z: 9 8.723 1.656 0.075 0.872 1.000 1.000 CA 1.262 8 residues pruned to eliminate duplicates Z: 7 6.759 1.556 0.356 0.692 1.000 0.667 CB 1.097 7 residues pruned to eliminate duplicates Z: 42 21.059 1.932 0.532 0.428 0.829 0.610 CB 1.444 42 residues pruned to eliminate duplicates Z: 16 20.683 1.870 0.357 0.926 1.000 1.000 CB 1.475 16 residues pruned to eliminate duplicates Z: 8 5.558 1.554 0.588 0.551 0.714 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 17 20.219 1.792 0.588 0.817 1.000 0.938 CA 1.348 17 residues pruned to eliminate duplicates Z: 9 9.937 1.739 0.444 0.895 1.000 1.000 CB 1.003 9 residues pruned to eliminate duplicates Z: 12 8.285 1.718 0.135 0.823 0.909 0.727 CB 1.065 11 residues pruned to eliminate duplicates Z: 11 8.011 1.802 0.186 0.496 0.900 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 7 9.646 1.945 0.734 0.538 1.000 0.667 CB 1.124 8 residues pruned to eliminate duplicates Z: 11 19.534 1.838 1.115 0.771 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 6 8.737 1.673 0.464 0.802 1.000 0.600 CB 1.225 Z: 12 11.560 2.052 0.566 0.449 0.909 0.455 CB 1.257 13 residues pruned to eliminate duplicates Z: 6 5.155 1.587 0.194 0.749 1.000 0.800 CB 0.974 Z: 10 10.003 1.756 0.344 0.859 0.889 0.889 CB 1.170 10 residues pruned to eliminate duplicates Z: 14 29.074 1.967 0.848 0.936 1.000 0.846 CB 1.545 14 residues pruned to eliminate duplicates Z: 8 9.197 1.691 0.979 0.815 0.857 0.571 CA 0.921 8 residues pruned to eliminate duplicates Z: 12 12.341 1.752 0.881 0.820 0.818 0.364 CB 1.045 12 residues pruned to eliminate duplicates Z: 18 6.701 1.716 0.194 0.275 0.824 0.529 CA 1.243 17 residues pruned to eliminate duplicates Z: 14 17.077 1.853 0.341 0.925 0.923 0.769 CB 1.449 14 residues pruned to eliminate duplicates Z: 7 4.896 1.685 0.465 0.558 0.667 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 17 14.150 1.771 0.379 0.729 0.938 0.562 CA 1.257 17 residues pruned to eliminate duplicates Z: 18 8.881 1.877 0.418 0.325 0.882 0.588 CB 1.112 Z: 9 9.629 1.694 0.342 0.891 1.000 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 33 17.836 1.834 0.477 0.427 0.906 0.438 CB 1.385 33 residues pruned to eliminate duplicates Z: 9 14.554 1.789 0.530 0.881 1.000 1.000 CA 1.361 9 residues pruned to eliminate duplicates Z: 9 9.491 1.581 0.451 0.795 1.000 0.625 CB 1.130 8 residues pruned to eliminate duplicates Z: 7 11.146 1.769 0.449 0.849 1.000 0.833 N 1.316 7 residues pruned to eliminate duplicates Z: 10 3.411 1.628 0.150 0.226 0.667 0.444 CB 1.253 Z: 9 8.977 1.718 0.254 0.844 0.875 0.750 CB 1.253 9 residues pruned to eliminate duplicates Z: 17 19.394 1.838 0.562 0.747 0.938 0.625 CA 1.445 17 residues pruned to eliminate duplicates Z: 7 10.796 1.763 0.416 0.849 1.000 0.833 CB 1.308 7 residues pruned to eliminate duplicates Z: 14 16.831 1.845 0.556 0.719 0.923 0.769 CB 1.445 14 residues pruned to eliminate duplicates Z: 17 26.721 1.829 0.837 0.859 0.938 0.750 CB 1.561 17 residues pruned to eliminate duplicates Z: 7 7.119 1.465 0.585 0.521 1.000 0.500 N 1.226 Z: 7 7.386 1.769 0.313 0.526 1.000 0.667 CB 1.266 9 residues pruned to eliminate duplicates Z: 11 13.077 1.910 0.597 0.837 0.900 0.800 CA 1.126 11 residues pruned to eliminate duplicates Z: 11 4.701 1.472 0.369 0.391 0.800 0.600 O 1.034 Z: 7 3.858 1.606 0.269 0.364 0.833 0.333 CB 1.074 Z: 8 7.201 1.548 0.342 0.864 1.000 0.714 CB 0.960 8 residues pruned to eliminate duplicates Z: 9 13.975 1.792 0.808 0.881 1.000 0.875 CB 1.104 9 residues pruned to eliminate duplicates Z: 16 12.414 1.793 0.228 0.762 0.933 0.533 CA 1.237 16 residues pruned to eliminate duplicates Z: 8 3.117 1.503 0.270 0.377 0.857 0.286 CB 0.820 Z: 16 24.179 1.862 0.538 0.907 1.000 0.867 CA 1.550 15 residues pruned to eliminate duplicates Z: 13 22.850 2.038 0.609 0.915 1.000 0.917 CA 1.421 13 residues pruned to eliminate duplicates Z: 17 9.230 1.702 0.530 0.369 0.875 0.438 CA 1.166 17 residues pruned to eliminate duplicates Z: 11 2.821 1.377 0.293 0.378 0.700 0.300 CB 0.815 Z: 6 2.070 1.674 0.121 0.520 0.600 0.600 CB 0.806 Z: 13 15.439 1.545 0.800 0.870 1.000 0.917 CB 1.169 13 residues pruned to eliminate duplicates Z: 26 29.770 2.111 0.796 0.681 1.000 0.680 CB 1.330 14 residues pruned to eliminate duplicates Z: 8 9.779 1.780 0.243 0.830 1.000 0.857 CA 1.256 8 residues pruned to eliminate duplicates Z: 7 3.964 1.485 0.427 0.267 0.833 0.667 CB 1.196 Z: 25 23.686 1.983 0.598 0.700 0.917 0.500 CB 1.387 25 residues pruned to eliminate duplicates Z: 21 18.789 1.968 0.556 0.470 0.950 0.600 CA 1.489 21 residues pruned to eliminate duplicates Z: 6 11.976 1.753 0.841 0.857 1.000 0.800 CA 1.222 Z: 20 16.205 2.028 0.479 0.475 0.895 0.526 CB 1.421 30 residues pruned to eliminate duplicates Z: 17 22.691 1.892 0.830 0.741 0.938 0.688 CB 1.408 17 residues pruned to eliminate duplicates Z: 15 15.317 2.016 0.529 0.590 0.929 0.786 CA 1.312 15 residues pruned to eliminate duplicates Z: 15 16.290 1.826 0.513 0.867 1.000 0.857 CB 1.154 15 residues pruned to eliminate duplicates Z: 44 17.249 1.775 0.481 0.392 0.860 0.605 CB 1.304 44 residues pruned to eliminate duplicates Z: 14 23.714 1.918 0.822 0.890 1.000 0.769 CB 1.354 14 residues pruned to eliminate duplicates Z: 15 14.817 1.704 0.488 0.888 1.000 0.857 CA 1.125 14 residues pruned to eliminate duplicates Z: 31 14.637 1.756 0.454 0.477 0.867 0.567 CB 1.236 58 residues pruned to eliminate duplicates Z: 15 29.462 2.090 0.757 0.925 1.000 0.857 CA 1.505 15 residues pruned to eliminate duplicates Z: 7 5.308 1.775 0.024 0.455 1.000 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 33 17.050 1.868 0.419 0.480 0.844 0.562 CB 1.375 32 residues pruned to eliminate duplicates Z: 29 20.673 1.897 0.625 0.588 0.893 0.750 CB 1.305 29 residues pruned to eliminate duplicates Z: 20 12.784 1.703 0.270 0.696 0.947 0.579 CB 1.196 20 residues pruned to eliminate duplicates Z: 15 18.656 1.854 0.781 0.907 1.000 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 14 16.441 1.793 0.551 0.875 1.000 0.769 N 1.192 14 residues pruned to eliminate duplicates Z: 18 28.803 1.862 0.796 0.932 1.000 0.647 CB 1.459 18 residues pruned to eliminate duplicates Z: 10 7.431 1.742 0.312 0.890 0.778 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 9 7.931 1.569 0.497 0.689 0.875 0.500 CB 1.147 8 residues pruned to eliminate duplicates Z: 10 13.185 1.934 0.487 0.869 1.000 1.000 CA 1.116 10 residues pruned to eliminate duplicates Z: 6 3.966 1.510 0.403 0.390 0.800 0.400 O 1.175 Z: 10 13.992 1.706 0.769 0.894 1.000 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 18 12.158 1.918 0.350 0.503 0.941 0.647 CB 1.207 18 residues pruned to eliminate duplicates Z: 11 12.467 1.678 0.702 0.796 0.900 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 6 5.022 1.762 0.031 0.652 0.800 0.600 CB 1.342 6 residues pruned to eliminate duplicates Z: 19 23.126 1.935 0.553 0.813 0.944 0.778 CB 1.462 21 residues pruned to eliminate duplicates Z: 46 21.738 1.813 0.505 0.504 0.911 0.644 CB 1.298 46 residues pruned to eliminate duplicates Z: 7 3.732 1.559 0.348 0.395 0.833 0.500 CA 0.972 7 residues pruned to eliminate duplicates Z: 15 20.669 1.884 0.518 0.918 1.000 0.857 CB 1.362 15 residues pruned to eliminate duplicates Z: 14 18.207 1.857 0.514 0.939 1.000 1.000 CB 1.247 14 residues pruned to eliminate duplicates Z: 17 18.465 1.778 0.704 0.747 0.938 0.688 CB 1.303 17 residues pruned to eliminate duplicates Z: 7 3.301 1.708 0.423 0.413 0.667 0.500 CB 0.911 7 residues pruned to eliminate duplicates Z: 9 11.231 1.853 0.544 0.907 1.000 0.875 CB 0.987 9 residues pruned to eliminate duplicates Z: 10 8.968 1.729 0.254 0.835 0.889 0.778 CB 1.162 10 residues pruned to eliminate duplicates Z: 8 8.792 1.701 0.487 0.751 0.857 0.714 CB 1.225 9 residues pruned to eliminate duplicates Z: 8 5.599 1.695 0.455 0.887 1.000 0.857 CB 0.619 8 residues pruned to eliminate duplicates Z: 9 12.370 1.733 0.687 0.860 1.000 0.500 CB 1.099 9 residues pruned to eliminate duplicates Z: 7 2.255 1.319 0.598 0.312 0.667 0.500 CA 0.807 Z: 9 3.842 1.392 0.352 0.299 1.000 0.625 CB 0.903 Z: 6 3.238 1.538 0.330 0.448 0.600 0.600 O 1.244 Z: 6 8.742 1.882 0.199 0.694 1.000 0.600 CB 1.451 6 residues pruned to eliminate duplicates Z: 34 22.829 1.934 0.580 0.579 0.879 0.576 CB 1.371 34 residues pruned to eliminate duplicates Z: 8 2.303 1.298 0.321 0.368 0.714 0.571 N 0.819 Z: 8 3.963 1.470 0.294 0.331 0.714 0.286 O 1.327 5 residues pruned to eliminate duplicates Z: 13 17.559 1.802 0.578 0.827 0.917 0.667 CA 1.466 13 residues pruned to eliminate duplicates Z: 9 8.622 1.844 0.615 0.474 0.750 0.375 CB 1.402 Z: 7 4.345 1.775 0.336 0.505 0.833 0.667 CB 0.893 Z: 11 10.329 1.696 0.255 0.885 1.000 0.900 CB 1.108 11 residues pruned to eliminate duplicates Z: 8 10.735 1.739 0.271 0.813 1.000 0.429 CB 1.398 8 residues pruned to eliminate duplicates Z: 6 6.014 1.621 0.332 0.574 1.000 0.800 CB 1.161 Z: 10 14.847 1.836 0.739 0.568 1.000 0.778 CB 1.451 10 residues pruned to eliminate duplicates Z: 18 21.032 1.746 0.796 0.840 0.941 0.765 CA 1.290 16 residues pruned to eliminate duplicates Z: 16 17.291 1.781 0.526 0.903 1.000 0.867 CB 1.171 16 residues pruned to eliminate duplicates Z: 12 8.021 1.677 0.577 0.360 0.909 0.636 N 1.170 Z: 11 11.267 1.573 0.526 0.830 0.900 0.600 CA 1.241 11 residues pruned to eliminate duplicates Z: 9 8.528 1.694 0.224 0.842 1.000 1.000 CB 1.083 9 residues pruned to eliminate duplicates Z: 7 4.188 1.550 0.230 0.796 0.667 0.667 CA 1.037 7 residues pruned to eliminate duplicates Z: 9 3.442 1.650 0.057 0.281 0.750 0.375 CB 1.191 9 residues pruned to eliminate duplicates Z: 7 6.830 1.581 0.477 0.814 0.833 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 12 28.283 1.981 0.982 0.844 1.000 0.909 CA 1.616 13 residues pruned to eliminate duplicates Z: 14 25.834 1.956 0.672 0.912 1.000 1.000 CB 1.552 14 residues pruned to eliminate duplicates Z: 13 8.811 1.894 0.150 0.565 0.917 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 9 9.601 1.705 0.480 0.800 1.000 0.750 CA 1.034 Z: 16 16.847 1.757 0.787 0.777 0.800 0.467 CB 1.356 22 residues pruned to eliminate duplicates Z: 8 3.457 1.530 0.316 0.743 1.000 1.000 CB 0.522 Z: 20 14.183 1.765 0.592 0.409 0.947 0.684 CA 1.345 20 residues pruned to eliminate duplicates Z: 8 3.499 1.503 0.372 0.291 0.714 0.429 CB 1.135 Z: 11 3.286 1.577 0.227 0.320 0.600 0.400 CB 1.092 Z: 13 8.972 1.656 0.790 0.813 0.917 0.583 CB 0.726 13 residues pruned to eliminate duplicates Z: 12 18.873 1.886 0.698 0.838 1.000 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 29 13.898 1.861 0.242 0.416 0.929 0.643 CB 1.336 29 residues pruned to eliminate duplicates Z: 16 9.895 1.882 0.501 0.247 0.800 0.333 CA 1.514 16 residues pruned to eliminate duplicates Z: 7 4.661 1.811 0.456 0.385 0.667 0.500 CB 1.222 Z: 7 7.841 1.582 0.968 0.766 0.833 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 6 6.728 1.450 0.587 0.752 1.000 0.600 N 1.045 6 residues pruned to eliminate duplicates Z: 7 2.150 1.127 0.648 0.621 0.833 0.667 N 0.506 Z: 7 11.361 1.589 0.763 0.758 1.000 0.667 CB 1.317 Z: 16 23.301 1.739 1.157 0.915 1.000 0.667 CA 1.133 14 residues pruned to eliminate duplicates Z: 14 19.867 1.904 1.048 0.880 0.923 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 7 12.170 1.760 0.630 0.898 1.000 1.000 CA 1.239 7 residues pruned to eliminate duplicates Z: 10 10.809 1.831 0.174 0.802 1.000 0.889 CB 1.287 10 residues pruned to eliminate duplicates Z: 19 19.154 1.774 0.637 0.730 1.000 0.778 CA 1.264 19 residues pruned to eliminate duplicates Z: 7 4.397 1.598 0.329 0.515 0.667 0.500 O 1.249 Z: 6 7.082 1.730 0.221 0.747 1.000 0.600 CB 1.203 Z: 7 5.956 1.729 0.341 0.629 1.000 0.500 CB 0.929 Z: 16 18.281 1.717 0.827 0.827 0.933 0.333 CB 1.214 17 residues pruned to eliminate duplicates Z: 10 12.581 1.925 0.321 0.666 1.000 0.667 CB 1.414 10 residues pruned to eliminate duplicates Z: 7 2.784 1.525 -0.082 0.317 0.833 0.500 CB 1.193 7 residues pruned to eliminate duplicates Z: 6 4.209 1.550 0.287 0.531 1.000 0.400 O 0.915 5 residues pruned to eliminate duplicates Z: 32 21.280 1.933 0.541 0.489 0.871 0.452 CB 1.489 32 residues pruned to eliminate duplicates Z: 16 9.100 1.677 0.545 0.391 0.800 0.533 CB 1.273 14 residues pruned to eliminate duplicates Z: 8 7.506 1.742 0.027 0.881 1.000 0.714 CB 1.149 8 residues pruned to eliminate duplicates Z: 10 9.490 1.592 0.927 0.639 0.889 0.556 CB 1.019 10 residues pruned to eliminate duplicates Z: 6 2.470 1.494 0.044 0.547 0.800 0.600 CB 0.845 Z: 11 7.257 1.546 0.490 0.488 0.900 0.400 CB 1.121 Z: 6 6.996 1.705 0.399 0.541 1.000 0.800 CB 1.261 7 residues pruned to eliminate duplicates Z: 8 3.792 1.364 0.174 0.600 0.857 0.429 CB 0.949 8 residues pruned to eliminate duplicates Z: 7 3.238 1.554 0.382 0.323 0.833 0.333 CA 0.897 4 residues pruned to eliminate duplicates Z: 11 18.859 1.814 0.731 0.868 1.000 0.800 CA 1.388 11 residues pruned to eliminate duplicates Z: 11 5.551 1.766 0.408 0.378 0.700 0.400 CB 1.149 11 residues pruned to eliminate duplicates Z: 6 4.670 1.538 0.406 0.722 1.000 0.400 CB 0.790 6 residues pruned to eliminate duplicates Z: 16 13.868 1.939 0.420 0.627 0.867 0.733 CB 1.332 16 residues pruned to eliminate duplicates Z: 11 13.354 1.726 0.380 0.890 0.900 0.900 CB 1.417 11 residues pruned to eliminate duplicates Z: 13 9.070 1.830 0.706 0.459 0.833 0.583 CB 1.049 13 residues pruned to eliminate duplicates Z: 6 3.892 1.437 0.374 0.617 1.000 0.800 CA 0.789 5 residues pruned to eliminate duplicates Z: 13 8.831 1.865 0.570 0.465 0.833 0.500 CB 1.083 13 residues pruned to eliminate duplicates Z: 11 12.628 1.851 0.604 0.742 1.000 0.300 CB 1.083 11 residues pruned to eliminate duplicates Z: 11 8.795 1.701 0.487 0.639 0.800 0.700 CB 1.207 10 residues pruned to eliminate duplicates Z: 8 4.164 1.643 -0.025 0.505 0.857 0.429 CB 1.141 6 1.860 1.798 -0.467 0.810 1.000 0.600 CB 0.663 ? Z: 11 6.241 1.885 0.398 0.431 0.900 0.400 CB 0.893 11 residues pruned to eliminate duplicates Z: 6 5.099 1.671 0.115 0.790 0.800 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 23 15.813 1.841 0.593 0.461 0.864 0.500 CA 1.385 23 residues pruned to eliminate duplicates 6 1.887 1.514 0.077 0.173 0.800 0.400 CB 0.962 ? Z: 11 10.325 1.701 0.493 0.884 0.900 0.700 CB 1.033 11 residues pruned to eliminate duplicates Z: 8 8.299 1.413 0.512 0.825 1.000 0.714 CB 1.107 7 residues pruned to eliminate duplicates Z: 9 9.662 1.759 0.387 0.794 1.000 0.625 CB 1.082 9 residues pruned to eliminate duplicates Z: 10 9.410 1.759 0.422 0.591 0.889 0.556 CA 1.293 8 residues pruned to eliminate duplicates Z: 10 13.064 1.827 0.492 0.863 1.000 1.000 CB 1.172 10 residues pruned to eliminate duplicates Z: 12 16.818 1.899 0.647 0.780 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 12 2.914 1.428 0.376 0.297 0.636 0.364 CB 0.881 7 1.259 1.246 0.469 0.348 0.667 0.333 CB 0.497 ? Z: 15 17.480 1.831 0.547 0.901 0.929 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 7 3.432 1.598 0.277 0.488 0.833 0.500 CB 0.834 6 1.406 1.323 0.361 0.299 0.600 0.400 N 0.728 ? Z: 6 2.800 1.472 0.254 0.309 0.800 0.400 N 1.047 Z: 10 3.901 1.338 0.252 0.380 0.889 0.222 CB 0.992 8 residues pruned to eliminate duplicates Z: 25 24.497 1.816 0.763 0.677 0.917 0.625 CA 1.447 25 residues pruned to eliminate duplicates Z: 13 7.683 1.494 0.401 0.817 0.833 0.500 CB 0.965 13 residues pruned to eliminate duplicates Z: 8 12.036 1.564 0.919 0.916 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates 6 1.724 1.233 0.284 0.296 0.600 0.600 O 1.019 ? Z: 9 6.439 1.495 0.637 0.649 0.875 0.625 CB 0.925 Z: 10 13.847 1.857 0.805 0.520 1.000 0.667 CB 1.350 10 residues pruned to eliminate duplicates Z: 23 18.074 1.917 0.390 0.522 0.955 0.500 CB 1.482 23 residues pruned to eliminate duplicates Z: 17 9.993 1.846 0.067 0.420 0.938 0.562 CB 1.471 19 residues pruned to eliminate duplicates Z: 8 4.836 1.624 0.487 0.350 0.857 0.429 CB 1.039 7 residues pruned to eliminate duplicates Z: 32 15.598 1.899 0.372 0.448 0.839 0.548 CB 1.352 32 residues pruned to eliminate duplicates Z: 9 18.702 1.880 0.501 0.896 1.000 0.875 CA 1.678 9 residues pruned to eliminate duplicates 6 0.815 1.514 0.224 0.100 0.600 0.600 CB 0.546 ? Z: 54 28.920 1.909 0.538 0.670 0.906 0.755 CA 1.277 55 residues pruned to eliminate duplicates Z: 15 13.921 1.836 0.569 0.879 0.929 0.714 CB 1.009 15 residues pruned to eliminate duplicates Z: 9 3.904 1.604 0.381 0.488 0.625 0.500 CB 1.009 19 residues pruned to eliminate duplicates Z: 31 28.821 2.071 0.672 0.620 1.000 0.633 CB 1.357 28 residues pruned to eliminate duplicates Z: 7 6.432 1.552 0.192 0.823 1.000 1.000 CB 1.073 7 residues pruned to eliminate duplicates Z: 17 27.470 1.860 0.888 0.868 1.000 0.688 CB 1.430 17 residues pruned to eliminate duplicates Z: 8 6.167 1.590 0.516 0.566 0.857 0.714 CB 1.059 Z: 6 2.554 1.196 0.713 0.584 1.000 0.400 CB 0.514 Z: 14 11.291 1.850 0.634 0.516 0.923 0.462 CB 1.105 14 residues pruned to eliminate duplicates Z: 27 16.276 1.832 0.657 0.490 0.846 0.615 CB 1.256 52 residues pruned to eliminate duplicates Z: 7 9.500 1.608 0.676 0.860 0.833 0.167 CA 1.270 Z: 17 20.776 1.801 0.679 0.900 0.938 0.875 CB 1.308 17 residues pruned to eliminate duplicates 7 1.343 1.812 0.058 0.247 0.667 0.500 CB 0.574 ? Z: 7 2.342 1.487 0.294 0.356 0.667 0.333 CB 0.870 Z: 13 22.577 2.048 0.539 0.900 1.000 0.667 CB 1.477 13 residues pruned to eliminate duplicates Z: 14 15.463 1.816 0.460 0.714 1.000 0.923 CA 1.333 14 residues pruned to eliminate duplicates Z: 15 23.723 1.804 0.875 0.880 1.000 0.786 CA 1.358 15 residues pruned to eliminate duplicates Z: 6 4.376 1.482 0.124 0.746 0.800 0.800 O 1.179 6 residues pruned to eliminate duplicates Z: 10 9.559 1.696 0.487 0.637 0.889 0.778 N 1.250 10 residues pruned to eliminate duplicates Z: 8 6.594 1.503 0.471 0.849 1.000 0.857 CB 0.836 8 residues pruned to eliminate duplicates Z: 17 8.225 1.597 0.606 0.432 0.812 0.625 CB 1.058 17 residues pruned to eliminate duplicates 6 0.987 1.507 0.018 0.549 0.800 0.600 CB 0.343 ? Z: 10 3.061 1.285 0.490 0.250 0.778 0.556 CB 0.914 Z: 6 2.698 1.364 0.107 0.495 0.800 0.800 CB 1.003 Z: 12 2.881 1.351 0.343 0.245 0.636 0.364 N 1.009 Z: 6 11.940 1.746 0.958 0.810 1.000 0.800 N 1.192 6 residues pruned to eliminate duplicates Z: 7 4.915 1.639 0.207 0.666 1.000 0.833 CA 0.870 7 residues pruned to eliminate duplicates Z: 14 9.460 1.783 0.537 0.391 0.846 0.462 CA 1.269 14 residues pruned to eliminate duplicates Z: 9 26.004 2.103 0.972 0.853 0.875 0.750 CB 1.872 9 residues pruned to eliminate duplicates Z: 10 8.192 1.560 0.370 0.852 1.000 0.889 CB 0.946 Z: 16 27.334 2.002 0.762 0.909 1.000 0.867 CB 1.420 16 residues pruned to eliminate duplicates Z: 10 12.952 1.864 0.527 0.744 1.000 0.556 CB 1.219 10 residues pruned to eliminate duplicates Z: 15 21.559 1.819 1.124 0.935 1.000 0.500 CB 1.040 16 residues pruned to eliminate duplicates Z: 9 4.010 1.298 0.475 0.335 0.875 0.500 O 1.014 9 residues pruned to eliminate duplicates Z: 16 6.602 1.669 0.333 0.406 0.800 0.600 CB 1.057 16 residues pruned to eliminate duplicates Z: 18 16.366 1.727 0.605 0.826 0.882 0.647 CB 1.224 18 residues pruned to eliminate duplicates Z: 7 2.179 1.745 0.510 0.250 0.333 0.333 CB 1.351 7 residues pruned to eliminate duplicates Z: 8 2.486 1.329 0.389 0.416 0.857 0.714 CA 0.648 Z: 16 7.908 1.474 0.630 0.456 0.800 0.467 CB 1.111 Z: 14 16.555 1.887 0.717 0.892 0.923 0.692 CB 1.103 14 residues pruned to eliminate duplicates Z: 6 3.012 1.540 0.035 0.400 0.800 0.400 C 1.173 Z: 23 14.838 1.828 0.370 0.637 1.000 0.636 CB 1.110 24 residues pruned to eliminate duplicates Z: 22 10.257 1.821 0.326 0.373 0.714 0.524 CA 1.487 22 residues pruned to eliminate duplicates Z: 14 21.714 1.989 0.568 0.906 1.000 0.923 CA 1.373 14 residues pruned to eliminate duplicates Z: 11 7.819 1.861 0.537 0.271 0.900 0.500 CB 1.246 11 residues pruned to eliminate duplicates Z: 16 18.562 1.797 0.420 0.824 0.933 0.733 CB 1.520 16 residues pruned to eliminate duplicates Z: 21 24.466 1.949 0.639 0.712 0.950 0.500 CB 1.488 21 residues pruned to eliminate duplicates Z: 8 2.155 1.438 0.691 0.225 0.714 0.286 CB 0.646 Z: 51 27.448 1.925 0.673 0.541 0.860 0.540 CB 1.346 46 residues pruned to eliminate duplicates Z: 9 3.952 1.504 0.442 0.537 0.875 0.750 CB 0.710 8 residues pruned to eliminate duplicates Z: 8 6.945 1.752 0.185 0.680 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 10 14.464 1.786 0.634 0.821 0.889 0.889 N 1.407 10 residues pruned to eliminate duplicates Z: 6 3.720 1.562 0.234 0.408 0.800 0.200 CA 1.189 6 residues pruned to eliminate duplicates Z: 10 2.812 1.605 -0.028 0.302 0.667 0.444 CB 1.123 10 residues pruned to eliminate duplicates Z: 19 13.099 1.962 0.640 0.425 0.944 0.667 CB 1.099 29 residues pruned to eliminate duplicates Z: 8 4.221 1.436 0.411 0.346 0.857 0.571 N 1.086 Z: 14 10.520 1.677 0.529 0.421 0.846 0.462 CA 1.460 14 residues pruned to eliminate duplicates Z: 13 10.525 2.060 0.705 0.353 0.833 0.333 CB 1.216 17 residues pruned to eliminate duplicates Z: 20 21.778 1.905 0.842 0.735 0.947 0.789 CB 1.217 20 residues pruned to eliminate duplicates Z: 8 2.450 1.327 0.568 0.650 0.857 0.571 CB 0.451 8 residues pruned to eliminate duplicates Z: 15 16.499 1.843 0.484 0.852 0.929 0.857 CA 1.284 15 residues pruned to eliminate duplicates Z: 24 15.365 1.823 0.439 0.595 0.957 0.783 CB 1.166 24 residues pruned to eliminate duplicates Z: 9 7.470 1.625 0.448 0.532 1.000 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 12 9.621 1.564 0.640 0.770 0.909 0.636 CB 0.980 12 residues pruned to eliminate duplicates Z: 16 19.416 1.858 0.541 0.794 1.000 0.733 CA 1.353 16 residues pruned to eliminate duplicates Z: 8 10.980 1.659 0.549 0.825 1.000 0.857 CB 1.220 8 residues pruned to eliminate duplicates Z: 12 6.032 1.839 0.154 0.450 0.909 0.364 CB 0.992 12 residues pruned to eliminate duplicates Z: 9 6.389 1.523 0.880 0.377 0.750 0.250 C 1.200 Z: 23 18.210 1.856 0.758 0.524 0.909 0.636 CB 1.279 7 residues pruned to eliminate duplicates Z: 17 21.622 1.890 0.695 0.766 0.875 0.688 CB 1.523 17 residues pruned to eliminate duplicates Z: 24 15.902 1.863 0.663 0.570 0.783 0.565 CB 1.278 22 residues pruned to eliminate duplicates Z: 17 25.952 1.819 0.849 0.930 0.875 0.562 N 1.541 17 residues pruned to eliminate duplicates Z: 10 12.328 1.723 0.338 0.896 1.000 0.889 CB 1.276 10 residues pruned to eliminate duplicates Z: 22 10.924 1.628 0.473 0.513 0.857 0.429 CB 1.145 12 residues pruned to eliminate duplicates Z: 14 14.212 1.878 0.393 0.831 0.923 0.769 CA 1.227 14 residues pruned to eliminate duplicates Z: 8 2.631 1.477 0.443 0.334 0.714 0.714 CA 0.784 8 residues pruned to eliminate duplicates Z: 23 16.887 1.855 0.813 0.511 0.818 0.545 CB 1.295 23 residues pruned to eliminate duplicates Z: 7 3.098 1.586 0.373 0.482 0.833 0.667 CB 0.710 Z: 35 19.801 1.876 0.573 0.474 0.824 0.588 CA 1.435 35 residues pruned to eliminate duplicates Z: 11 10.336 1.889 0.329 0.627 1.000 0.700 CB 1.156 11 residues pruned to eliminate duplicates Z: 21 22.244 1.974 0.566 0.697 0.900 0.650 CB 1.494 21 residues pruned to eliminate duplicates Z: 17 12.528 1.938 0.497 0.504 0.875 0.562 CB 1.229 15 residues pruned to eliminate duplicates Z: 9 5.669 1.493 0.219 0.679 0.875 0.125 CB 1.068 Z: 7 2.064 1.416 -0.103 0.296 0.833 0.500 N 1.000 Z: 8 8.944 1.608 0.642 0.862 1.000 0.857 CB 0.939 8 residues pruned to eliminate duplicates Z: 8 2.717 1.322 0.197 0.422 0.857 0.429 CB 0.821 Z: 13 4.753 1.605 0.107 0.257 0.833 0.333 N 1.225 13 residues pruned to eliminate duplicates Z: 7 3.655 1.356 0.165 0.778 1.000 0.500 CB 0.739 6 residues pruned to eliminate duplicates Z: 7 2.083 1.432 0.110 0.395 0.833 0.667 O 0.717 7 residues pruned to eliminate duplicates Z: 14 22.297 1.850 0.813 0.905 1.000 0.769 CB 1.312 14 residues pruned to eliminate duplicates Z: 16 20.045 1.861 0.615 0.706 0.933 0.733 CA 1.531 16 residues pruned to eliminate duplicates 7 0.789 1.266 0.848 0.248 0.667 0.667 CB 0.276 ? Z: 17 6.886 1.589 0.211 0.458 0.812 0.688 CB 1.149 17 residues pruned to eliminate duplicates Z: 7 9.722 1.867 0.398 0.762 1.000 0.833 CB 1.204 Z: 24 12.618 1.822 0.676 0.400 0.739 0.435 CA 1.296 24 residues pruned to eliminate duplicates Z: 7 8.379 1.691 0.818 0.716 0.833 0.833 CB 1.098 7 residues pruned to eliminate duplicates Z: 10 11.071 1.884 0.174 0.626 0.889 0.667 O 1.667 10 residues pruned to eliminate duplicates Z: 7 4.037 1.469 0.575 0.757 1.000 0.833 CB 0.567 Z: 6 2.927 1.605 0.349 0.485 0.800 0.800 CB 0.767 Z: 14 13.943 1.739 0.204 0.897 1.000 0.769 CB 1.323 14 residues pruned to eliminate duplicates Z: 6 2.043 1.382 -0.182 0.583 0.800 0.400 O 0.932 Z: 10 2.743 1.564 0.112 0.455 0.556 0.444 CB 0.991 10 residues pruned to eliminate duplicates 6 1.904 1.329 0.378 0.293 0.800 0.400 N 0.733 ? Z: 32 24.663 1.955 0.643 0.547 0.903 0.677 CB 1.458 29 residues pruned to eliminate duplicates Z: 33 16.262 1.843 0.378 0.498 0.844 0.688 CB 1.344 33 residues pruned to eliminate duplicates Z: 24 8.314 1.673 0.515 0.265 0.783 0.435 CB 1.142 24 residues pruned to eliminate duplicates 6 1.751 1.558 0.221 0.100 0.600 0.600 N 1.143 ? Z: 26 11.720 1.696 0.515 0.428 0.920 0.480 CB 1.068 29 residues pruned to eliminate duplicates Z: 9 8.282 2.054 0.360 0.519 0.875 0.625 CB 1.175 9 residues pruned to eliminate duplicates Z: 7 4.096 1.340 0.504 0.588 0.833 0.500 N 0.915 Z: 32 13.255 1.685 0.586 0.636 0.839 0.452 CB 0.935 32 residues pruned to eliminate duplicates Z: 20 26.148 2.074 0.713 0.696 0.895 0.737 CB 1.577 20 residues pruned to eliminate duplicates Z: 8 2.423 1.373 0.246 0.445 0.571 0.571 CB 0.991 Z: 6 4.611 1.320 1.185 0.598 0.800 0.400 CA 0.814 Z: 9 3.768 1.621 0.606 0.479 0.750 0.250 CB 0.697 7 residues pruned to eliminate duplicates Z: 17 10.862 1.632 0.630 0.464 0.875 0.562 CB 1.210 17 residues pruned to eliminate duplicates Z: 7 10.222 1.584 0.918 0.730 1.000 0.500 CA 1.116 Z: 8 8.992 1.649 0.509 0.643 1.000 0.571 CA 1.195 Z: 17 16.460 1.846 0.268 0.895 0.938 0.875 CB 1.344 17 residues pruned to eliminate duplicates Z: 6 3.036 1.363 0.174 0.843 1.000 0.800 CB 0.632 12 residues pruned to eliminate duplicates Z: 7 4.958 1.514 0.417 0.681 0.833 0.667 CB 0.959 7 residues pruned to eliminate duplicates Z: 59 22.158 1.836 0.557 0.433 0.845 0.603 CB 1.291 59 residues pruned to eliminate duplicates Z: 11 4.595 1.639 0.228 0.403 0.800 0.700 CA 0.999 11 residues pruned to eliminate duplicates Z: 6 3.503 1.281 0.283 0.542 1.000 1.000 CB 0.915 Z: 10 5.188 1.345 0.195 0.607 0.889 0.667 N 1.093 6 residues pruned to eliminate duplicates Z: 13 8.208 1.812 0.264 0.596 0.917 0.917 CB 1.030 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 5.440 1.639 0.287 0.729 1.000 0.375 CB 0.742 9 residues pruned to eliminate duplicates Z: 8 10.823 1.663 0.631 0.878 0.857 0.429 CB 1.277 9 residues pruned to eliminate duplicates Z: 10 10.863 1.625 0.638 0.878 1.000 0.556 CB 0.987 10 residues pruned to eliminate duplicates Z: 7 8.383 1.726 0.699 0.675 1.000 0.667 CB 0.993 7 residues pruned to eliminate duplicates Z: 7 7.385 1.682 0.568 0.556 0.833 0.333 CB 1.299 7 residues pruned to eliminate duplicates Z: 8 7.763 1.585 0.672 0.730 1.000 0.714 CB 0.900 8 residues pruned to eliminate duplicates Z: 14 6.800 1.785 0.600 0.247 0.615 0.308 CA 1.436 14 residues pruned to eliminate duplicates Z: 14 9.724 1.788 0.716 0.308 0.769 0.462 CA 1.414 14 residues pruned to eliminate duplicates Z: 16 8.032 1.696 0.401 0.367 0.800 0.467 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 4.506 1.741 0.261 0.440 1.000 0.600 CA 0.976 6 residues pruned to eliminate duplicates Z: 13 9.450 1.783 0.626 0.258 0.833 0.583 CB 1.489 13 residues pruned to eliminate duplicates Z: 19 10.041 1.807 0.499 0.263 0.889 0.500 CA 1.289 22 residues pruned to eliminate duplicates Z: 9 6.452 1.666 0.544 0.518 0.750 0.375 CB 1.161 9 residues pruned to eliminate duplicates Z: 11 7.555 1.840 0.419 0.474 0.700 0.200 CB 1.342 11 residues pruned to eliminate duplicates Z: 33 21.947 1.930 0.573 0.513 0.906 0.562 CA 1.392 33 residues pruned to eliminate duplicates Z: 8 5.263 1.335 0.302 0.567 1.000 0.714 C 1.072 8 residues pruned to eliminate duplicates Z: 23 20.535 2.002 0.568 0.499 0.909 0.591 CA 1.536 23 residues pruned to eliminate duplicates Z: 33 20.858 1.904 0.455 0.516 0.906 0.531 CA 1.445 33 residues pruned to eliminate duplicates Z: 35 20.120 1.866 0.646 0.447 0.882 0.588 CB 1.343 35 residues pruned to eliminate duplicates Z: 30 19.703 1.980 0.423 0.532 0.862 0.621 CB 1.459 30 residues pruned to eliminate duplicates Z: 35 21.651 1.933 0.566 0.442 0.882 0.412 CB 1.475 35 residues pruned to eliminate duplicates Z: 32 21.267 1.968 0.621 0.458 0.839 0.581 CB 1.490 37 residues pruned to eliminate duplicates Z: 7 13.172 1.811 1.004 0.823 0.833 0.333 CA 1.345 7 residues pruned to eliminate duplicates Z: 31 23.733 1.968 0.560 0.509 0.933 0.633 CB 1.498 31 residues pruned to eliminate duplicates Z: 36 19.439 1.910 0.529 0.424 0.857 0.543 CA 1.421 36 residues pruned to eliminate duplicates Z: 15 14.001 1.994 0.476 0.588 0.857 0.786 CA 1.363 15 residues pruned to eliminate duplicates Z: 22 17.443 1.936 0.434 0.534 0.952 0.524 CA 1.392 22 residues pruned to eliminate duplicates Z: 42 22.053 1.936 0.464 0.413 0.878 0.561 CA 1.516 42 residues pruned to eliminate duplicates Z: 24 22.517 2.000 0.626 0.519 0.957 0.609 CB 1.482 24 residues pruned to eliminate duplicates Z: 34 21.313 1.914 0.430 0.491 0.939 0.576 CB 1.456 34 residues pruned to eliminate duplicates Z: 31 19.197 2.004 0.527 0.455 0.800 0.467 CB 1.499 31 residues pruned to eliminate duplicates Z: 19 16.976 1.939 0.471 0.509 1.000 0.611 CA 1.391 19 residues pruned to eliminate duplicates Z: 15 8.893 1.865 0.387 0.446 0.929 0.571 CB 1.046 11 residues pruned to eliminate duplicates Z: 19 23.322 1.923 0.659 0.796 0.889 0.556 CA 1.496 19 residues pruned to eliminate duplicates Z: 16 19.100 1.972 0.600 0.663 0.867 0.600 CB 1.551 16 residues pruned to eliminate duplicates Z: 35 20.757 1.946 0.499 0.521 0.912 0.559 CB 1.310 34 residues pruned to eliminate duplicates Z: 18 20.143 1.862 0.714 0.860 0.882 0.765 CA 1.276 18 residues pruned to eliminate duplicates Z: 19 19.000 1.905 0.682 0.597 0.944 0.556 CA 1.349 19 residues pruned to eliminate duplicates Z: 35 19.339 1.892 0.585 0.541 0.794 0.618 CB 1.338 35 residues pruned to eliminate duplicates Z: 66 31.622 1.927 0.562 0.498 0.923 0.569 CB 1.415 66 residues pruned to eliminate duplicates Z: 60 30.613 1.975 0.652 0.446 0.898 0.525 CB 1.437 61 residues pruned to eliminate duplicates Z: 17 25.523 1.849 0.867 0.919 1.000 0.875 CA 1.302 17 residues pruned to eliminate duplicates Z: 71 28.382 1.883 0.590 0.433 0.871 0.457 CB 1.394 71 residues pruned to eliminate duplicates Z: 16 21.773 1.980 0.767 0.729 0.933 0.533 CA 1.400 16 residues pruned to eliminate duplicates Z: 14 24.509 2.027 0.896 0.796 1.000 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 66 33.647 1.945 0.621 0.504 0.908 0.538 CA 1.453 66 residues pruned to eliminate duplicates Z: 28 25.679 1.952 0.530 0.611 0.963 0.593 CA 1.547 28 residues pruned to eliminate duplicates Z: 26 27.028 2.001 0.687 0.665 0.960 0.600 CB 1.431 26 residues pruned to eliminate duplicates Z: 26 28.898 2.007 0.817 0.661 0.920 0.800 CB 1.484 26 residues pruned to eliminate duplicates Z: 11 12.030 1.970 0.435 0.529 0.900 0.800 CB 1.453 11 residues pruned to eliminate duplicates Z: 80 32.401 1.923 0.613 0.448 0.886 0.570 CB 1.398 79 residues pruned to eliminate duplicates Z: 6 3.698 1.342 0.380 0.370 1.000 0.800 CA 1.027 Z: 6 4.757 1.817 0.401 0.550 0.600 0.600 CA 1.326 Z: 6 8.707 1.868 0.498 0.635 1.000 0.400 CA 1.225 Z: 20 16.967 1.790 0.717 0.753 0.842 0.526 CA 1.200 26 residues pruned to eliminate duplicates Z: 19 11.801 1.820 0.554 0.471 0.833 0.500 CB 1.216 25 residues pruned to eliminate duplicates Z: 65 29.091 1.970 0.531 0.510 0.875 0.484 CB 1.365 65 residues pruned to eliminate duplicates Z: 55 31.458 1.920 0.587 0.573 0.944 0.593 CA 1.386 55 residues pruned to eliminate duplicates Z: 26 16.908 1.852 0.512 0.493 0.960 0.560 CA 1.267 26 residues pruned to eliminate duplicates Z: 31 15.187 1.900 0.365 0.442 0.867 0.567 CA 1.309 31 residues pruned to eliminate duplicates Z: 12 7.062 1.789 0.339 0.531 0.727 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 23 13.840 1.851 0.382 0.656 0.864 0.727 CB 1.156 23 residues pruned to eliminate duplicates Z: 70 33.443 1.925 0.567 0.564 0.942 0.667 CB 1.332 70 residues pruned to eliminate duplicates Z: 51 21.228 1.927 0.478 0.471 0.880 0.600 CB 1.234 51 residues pruned to eliminate duplicates Z: 44 24.037 1.872 0.591 0.514 0.953 0.628 CB 1.273 44 residues pruned to eliminate duplicates Z: 82 34.283 1.889 0.548 0.538 0.901 0.568 CB 1.393 82 residues pruned to eliminate duplicates Z: 47 28.853 1.936 0.536 0.646 0.935 0.652 CB 1.335 47 residues pruned to eliminate duplicates Z: 28 17.961 1.942 0.574 0.527 0.963 0.519 CB 1.143 28 residues pruned to eliminate duplicates Z: 30 20.739 1.944 0.477 0.563 0.966 0.448 CB 1.306 30 residues pruned to eliminate duplicates Z: 105 32.891 1.892 0.451 0.470 0.894 0.519 CB 1.355 105 residues pruned to eliminate duplicates Z: 66 29.766 1.927 0.562 0.520 0.862 0.569 CB 1.397 66 residues pruned to eliminate duplicates Z: 18 16.628 2.035 0.713 0.390 0.941 0.647 CB 1.381 18 residues pruned to eliminate duplicates Z: 24 18.224 1.867 0.318 0.725 0.957 0.652 CA 1.318 24 residues pruned to eliminate duplicates Z: 30 20.835 1.947 0.565 0.595 0.862 0.586 CA 1.345 30 residues pruned to eliminate duplicates Z: 62 35.195 1.973 0.641 0.586 0.918 0.656 CB 1.396 62 residues pruned to eliminate duplicates Z: 48 22.734 1.929 0.475 0.521 0.915 0.574 CB 1.248 48 residues pruned to eliminate duplicates Z: 26 19.070 1.875 0.652 0.449 0.920 0.560 CB 1.411 26 residues pruned to eliminate duplicates Z: 30 22.411 1.924 0.699 0.567 0.897 0.621 CA 1.330 30 residues pruned to eliminate duplicates Z: 52 18.863 1.849 0.506 0.414 0.843 0.529 CB 1.231 52 residues pruned to eliminate duplicates Z: 31 22.914 1.901 0.628 0.523 0.967 0.600 CB 1.367 31 residues pruned to eliminate duplicates Z: 20 16.439 1.939 0.723 0.407 0.895 0.632 CA 1.391 20 residues pruned to eliminate duplicates Z: 30 19.996 1.914 0.494 0.580 0.931 0.621 CA 1.292 30 residues pruned to eliminate duplicates Z: 68 31.035 1.933 0.575 0.527 0.896 0.522 CB 1.354 68 residues pruned to eliminate duplicates Z: 29 23.845 1.952 0.602 0.572 0.964 0.643 CB 1.394 29 residues pruned to eliminate duplicates Z: 35 20.332 1.894 0.563 0.500 0.824 0.471 CA 1.429 35 residues pruned to eliminate duplicates Z: 23 13.744 1.936 0.601 0.443 0.864 0.500 CB 1.161 23 residues pruned to eliminate duplicates Z: 42 16.859 1.980 0.515 0.368 0.854 0.512 CB 1.185 42 residues pruned to eliminate duplicates Z: 32 15.631 1.911 0.696 0.450 0.839 0.548 CB 1.086 32 residues pruned to eliminate duplicates Z: 74 33.051 1.956 0.558 0.604 0.904 0.603 CB 1.272 74 residues pruned to eliminate duplicates Z: 26 13.631 2.064 0.516 0.359 0.800 0.520 CB 1.268 26 residues pruned to eliminate duplicates Z: 41 25.105 1.935 0.627 0.556 0.950 0.675 CB 1.257 41 residues pruned to eliminate duplicates Z: 122 39.540 1.905 0.623 0.481 0.909 0.554 CB 1.304 122 residues pruned to eliminate duplicates Z: 24 14.125 2.093 0.508 0.375 0.870 0.609 CB 1.226 24 residues pruned to eliminate duplicates Z: 18 11.269 2.098 0.249 0.445 0.882 0.412 CB 1.251 18 residues pruned to eliminate duplicates Z: 18 12.283 2.121 0.158 0.436 0.882 0.471 CB 1.468 18 residues pruned to eliminate duplicates Z: 49 23.406 1.956 0.480 0.490 0.896 0.562 CB 1.315 49 residues pruned to eliminate duplicates Z: 23 12.322 1.891 0.432 0.350 0.864 0.409 CB 1.321 23 residues pruned to eliminate duplicates Z: 66 25.700 1.956 0.414 0.502 0.862 0.569 CB 1.335 66 residues pruned to eliminate duplicates Z: 29 17.176 1.977 0.647 0.370 0.821 0.464 CB 1.396 29 residues pruned to eliminate duplicates Z: 15 10.449 1.957 0.518 0.352 0.714 0.429 CA 1.545 15 residues pruned to eliminate duplicates Z: 37 19.209 1.944 0.598 0.388 0.861 0.556 CB 1.348 37 residues pruned to eliminate duplicates Z: 48 24.022 1.915 0.643 0.483 0.872 0.532 CB 1.299 48 residues pruned to eliminate duplicates Z: 19 13.769 1.998 0.393 0.429 0.889 0.444 CB 1.413 19 residues pruned to eliminate duplicates Z: 14 13.662 1.980 0.646 0.358 0.846 0.462 CB 1.601 14 residues pruned to eliminate duplicates Z: 20 11.893 1.875 0.496 0.400 0.789 0.421 CB 1.368 20 residues pruned to eliminate duplicates Z: 73 32.167 1.935 0.545 0.537 0.903 0.625 CB 1.354 73 residues pruned to eliminate duplicates Z: 10 11.797 1.840 0.759 0.535 0.778 0.667 CA 1.509 10 residues pruned to eliminate duplicates Z: 7 5.943 1.682 0.275 0.490 0.833 0.667 N 1.371 7 residues pruned to eliminate duplicates Z: 6 6.746 1.843 0.243 0.607 0.800 0.600 N 1.487 6 residues pruned to eliminate duplicates Z: 6 10.283 1.817 0.381 0.785 1.000 0.800 CB 1.425 6 residues pruned to eliminate duplicates Z: 9 8.310 1.525 0.801 0.520 0.875 0.375 CB 1.198 Z: 6 6.196 1.591 0.798 0.572 0.800 0.800 CA 1.130 6 residues pruned to eliminate duplicates Z: 6 5.303 1.579 0.405 0.636 0.800 0.800 O 1.177 6 residues pruned to eliminate duplicates Z: 7 3.263 1.503 0.651 0.437 0.500 0.500 CA 1.146 6 residues pruned to eliminate duplicates Z: 6 5.105 1.642 0.839 0.393 0.800 0.800 CB 1.059 6 residues pruned to eliminate duplicates Z: 6 4.947 1.358 1.095 0.279 1.000 0.600 O 0.998 5 residues pruned to eliminate duplicates Z: 7 12.068 1.861 0.920 0.862 1.000 0.833 CB 1.013 7 residues pruned to eliminate duplicates Z: 9 9.685 1.702 0.891 0.653 0.875 0.625 CB 1.055 9 residues pruned to eliminate duplicates Z: 8 8.234 1.745 0.680 0.743 1.000 0.714 CB 0.854 8 residues pruned to eliminate duplicates Z: 9 9.535 1.762 0.744 0.665 0.875 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 9 7.065 1.699 0.701 0.753 0.875 0.625 CB 0.788 8 residues pruned to eliminate duplicates Z: 6 2.934 1.557 0.394 0.391 0.800 0.600 CB 0.849 6 residues pruned to eliminate duplicates Z: 8 4.881 1.789 -0.037 0.260 1.000 0.429 CB 1.408 7 residues pruned to eliminate duplicates Z: 10 17.123 1.959 0.691 0.855 1.000 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 10 8.662 1.816 0.472 0.673 0.889 0.667 CB 1.036 10 residues pruned to eliminate duplicates Z: 11 11.919 1.894 0.664 0.738 0.800 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 11.201 1.907 0.718 0.726 0.800 0.800 CA 1.102 11 residues pruned to eliminate duplicates Z: 12 9.411 1.819 0.604 0.704 0.818 0.818 CB 0.987 12 residues pruned to eliminate duplicates Z: 11 9.629 1.847 0.691 0.634 0.700 0.700 CA 1.228 11 residues pruned to eliminate duplicates Z: 12 9.072 1.824 0.470 0.643 0.818 0.727 CA 1.091 12 residues pruned to eliminate duplicates Z: 12 12.166 1.824 0.662 0.655 1.000 0.727 CA 1.048 12 residues pruned to eliminate duplicates Z: 6 4.054 1.559 0.851 0.368 0.800 0.600 CB 0.905 Z: 6 4.566 1.556 0.737 0.453 1.000 0.400 CB 0.793 6 residues pruned to eliminate duplicates Z: 6 3.629 1.540 0.683 0.310 0.800 0.400 CB 0.967 6 residues pruned to eliminate duplicates Z: 6 3.661 1.426 0.704 0.411 1.000 0.400 CB 0.740 5 residues pruned to eliminate duplicates Z: 15 7.777 1.672 0.424 0.741 0.929 0.571 CB 0.758 15 residues pruned to eliminate duplicates Z: 16 10.831 1.765 0.412 0.603 0.933 0.467 CB 1.090 16 residues pruned to eliminate duplicates Z: 14 12.113 1.754 0.715 0.699 0.923 0.538 CB 1.009 15 residues pruned to eliminate duplicates Z: 14 7.819 1.674 0.253 0.655 0.923 0.615 CB 0.970 14 residues pruned to eliminate duplicates Z: 16 9.909 1.761 0.376 0.583 0.867 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 18 8.203 1.740 0.213 0.462 0.941 0.529 CB 1.041 18 residues pruned to eliminate duplicates Z: 18 9.715 1.754 0.327 0.516 0.882 0.471 CB 1.130 18 residues pruned to eliminate duplicates Z: 15 11.658 1.720 0.656 0.680 0.929 0.429 CB 0.999 15 residues pruned to eliminate duplicates Z: 17 11.383 1.796 0.421 0.554 0.938 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 16 9.897 1.769 0.520 0.516 0.933 0.333 CB 1.002 16 residues pruned to eliminate duplicates Z: 7 2.916 1.535 0.173 0.130 0.833 0.500 CA 1.260 7 residues pruned to eliminate duplicates Z: 18 9.124 1.715 0.503 0.475 0.824 0.647 CB 1.069 18 residues pruned to eliminate duplicates Z: 9 3.807 1.611 0.244 0.112 0.875 0.375 N 1.256 9 residues pruned to eliminate duplicates Z: 19 8.621 1.642 0.412 0.441 0.778 0.389 CB 1.197 19 residues pruned to eliminate duplicates Z: 12 7.060 1.656 0.483 0.576 0.818 0.364 CB 0.984 12 residues pruned to eliminate duplicates Z: 7 8.590 1.737 0.763 0.528 0.833 0.333 CB 1.337 7 residues pruned to eliminate duplicates Z: 7 9.036 1.598 0.767 0.667 1.000 0.500 CA 1.120 7 residues pruned to eliminate duplicates Z: 10 6.464 1.748 0.661 0.342 0.778 0.444 CB 1.132 10 residues pruned to eliminate duplicates Z: 20 5.927 1.602 0.409 0.257 0.842 0.316 CB 0.945 20 residues pruned to eliminate duplicates Z: 10 6.501 1.765 0.294 0.387 0.889 0.222 N 1.203 10 residues pruned to eliminate duplicates Z: 15 5.853 1.600 0.481 0.179 0.857 0.286 CB 1.134 15 residues pruned to eliminate duplicates Z: 9 2.088 1.471 0.327 0.173 0.750 0.250 CB 0.750 Z: 6 2.857 1.635 0.372 0.239 0.600 0.400 CA 1.285 Z: 19 21.410 1.978 0.457 0.717 1.000 0.722 CB 1.439 25 residues pruned to eliminate duplicates Z: 22 19.866 1.849 0.631 0.671 0.952 0.667 CB 1.289 22 residues pruned to eliminate duplicates Z: 19 20.277 1.985 0.316 0.744 1.000 0.722 CB 1.471 19 residues pruned to eliminate duplicates Z: 17 11.933 1.858 0.294 0.526 0.875 0.500 CB 1.382 17 residues pruned to eliminate duplicates Z: 20 22.290 1.962 0.649 0.724 0.947 0.579 CB 1.364 20 residues pruned to eliminate duplicates Z: 21 23.141 1.963 0.722 0.708 0.950 0.700 CB 1.333 21 residues pruned to eliminate duplicates Z: 21 17.772 1.919 0.490 0.660 0.950 0.550 CB 1.261 21 residues pruned to eliminate duplicates Z: 38 16.458 1.808 0.502 0.461 0.865 0.486 CB 1.199 38 residues pruned to eliminate duplicates Z: 20 21.804 1.932 0.710 0.728 0.947 0.632 CB 1.302 20 residues pruned to eliminate duplicates Z: 21 12.491 1.753 0.625 0.497 0.800 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 19 21.404 2.009 0.451 0.759 1.000 0.722 CB 1.374 19 residues pruned to eliminate duplicates Z: 9 11.414 1.789 0.898 0.657 0.750 0.625 CB 1.369 9 residues pruned to eliminate duplicates Z: 20 12.656 1.846 0.682 0.413 0.789 0.474 CB 1.298 20 residues pruned to eliminate duplicates Z: 21 24.577 1.913 0.614 0.710 1.000 0.600 CB 1.471 21 residues pruned to eliminate duplicates Z: 9 10.503 1.952 0.897 0.641 0.750 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 9 8.914 1.669 0.409 0.683 0.875 0.500 CB 1.294 8 residues pruned to eliminate duplicates Z: 8 9.574 1.681 0.657 0.739 0.857 0.571 CB 1.223 8 residues pruned to eliminate duplicates Z: 9 5.634 1.652 0.388 0.490 0.875 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 8 8.627 1.727 0.458 0.531 1.000 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 7 8.498 1.694 0.465 0.808 0.833 0.833 CB 1.283 7 residues pruned to eliminate duplicates Z: 10 9.010 1.577 0.515 0.719 0.889 0.556 CB 1.160 10 residues pruned to eliminate duplicates Z: 7 9.309 1.661 0.534 0.797 1.000 0.667 CB 1.150 7 residues pruned to eliminate duplicates Z: 25 14.625 1.850 0.633 0.437 0.833 0.542 CB 1.266 22 residues pruned to eliminate duplicates Z: 9 6.092 1.776 0.733 0.544 0.625 0.375 CB 1.073 Z: 8 10.275 1.886 0.770 0.603 0.857 0.571 CB 1.232 9 residues pruned to eliminate duplicates Z: 7 12.258 1.713 1.000 0.845 0.833 0.333 CA 1.304 15 residues pruned to eliminate duplicates Z: 23 15.774 1.846 0.749 0.469 0.909 0.500 CB 1.183 23 residues pruned to eliminate duplicates Z: 24 18.093 1.842 0.857 0.527 0.870 0.565 CB 1.235 26 residues pruned to eliminate duplicates Z: 9 7.935 1.798 0.745 0.557 0.750 0.625 CB 1.128 9 residues pruned to eliminate duplicates Z: 23 16.057 1.937 0.619 0.449 0.864 0.591 CB 1.333 23 residues pruned to eliminate duplicates Z: 23 15.910 1.887 0.649 0.519 0.818 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 21 18.420 1.924 0.845 0.526 0.850 0.650 CA 1.331 21 residues pruned to eliminate duplicates Z: 25 17.228 1.861 0.733 0.485 0.917 0.667 CB 1.207 24 residues pruned to eliminate duplicates Z: 7 5.028 1.338 0.737 0.436 1.000 0.500 N 0.944 Z: 20 13.903 1.756 0.252 0.748 0.895 0.789 CB 1.300 20 residues pruned to eliminate duplicates Z: 19 17.567 1.899 0.380 0.676 0.944 0.778 CA 1.422 26 residues pruned to eliminate duplicates Z: 17 20.406 1.849 0.441 0.908 0.938 0.750 CA 1.451 17 residues pruned to eliminate duplicates Z: 22 19.332 1.788 0.472 0.723 1.000 0.714 CB 1.310 22 residues pruned to eliminate duplicates Z: 15 23.774 1.903 0.849 0.857 1.000 0.929 CA 1.331 15 residues pruned to eliminate duplicates Z: 17 20.332 1.880 0.530 0.842 0.875 0.812 CB 1.505 17 residues pruned to eliminate duplicates Z: 23 15.907 1.747 0.542 0.617 0.864 0.636 CB 1.304 23 residues pruned to eliminate duplicates Z: 17 18.062 1.846 0.688 0.651 0.875 0.688 CB 1.438 17 residues pruned to eliminate duplicates Z: 28 18.337 1.784 0.529 0.627 0.852 0.519 CB 1.348 28 residues pruned to eliminate duplicates Z: 18 20.000 1.893 0.625 0.753 0.882 0.765 CB 1.427 18 residues pruned to eliminate duplicates Z: 18 21.139 1.876 0.748 0.763 0.882 0.588 CB 1.404 18 residues pruned to eliminate duplicates Z: 19 21.499 1.860 0.764 0.780 0.889 0.778 CB 1.357 19 residues pruned to eliminate duplicates Z: 17 26.873 1.874 0.903 0.933 1.000 0.938 CB 1.315 17 residues pruned to eliminate duplicates Z: 16 23.894 1.918 0.778 0.862 0.933 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 18 23.200 1.838 0.758 0.805 0.882 0.765 CA 1.512 18 residues pruned to eliminate duplicates Z: 17 24.664 1.885 0.634 0.875 1.000 0.750 CB 1.456 17 residues pruned to eliminate duplicates Z: 28 17.420 1.711 0.525 0.614 0.852 0.630 CB 1.353 28 residues pruned to eliminate duplicates Z: 18 20.535 1.810 0.660 0.799 0.882 0.647 CB 1.446 18 residues pruned to eliminate duplicates Z: 11 5.391 1.607 0.146 0.271 1.000 0.700 CB 1.201 Z: 6 5.552 1.551 0.894 0.296 1.000 0.800 N 1.062 7 residues pruned to eliminate duplicates Z: 9 5.193 1.815 0.334 0.175 0.875 0.625 CA 1.284 9 residues pruned to eliminate duplicates Z: 12 7.610 1.708 0.417 0.328 1.000 0.727 CB 1.145 10 residues pruned to eliminate duplicates Z: 6 8.883 1.718 0.846 0.409 1.000 0.600 CA 1.379 7 residues pruned to eliminate duplicates Z: 19 12.688 1.812 0.403 0.583 0.889 0.667 CA 1.222 15 residues pruned to eliminate duplicates Z: 19 17.735 1.996 0.263 0.801 1.000 0.833 CA 1.274 20 residues pruned to eliminate duplicates Z: 16 21.885 2.045 0.512 0.904 1.000 0.933 CA 1.302 16 residues pruned to eliminate duplicates Z: 10 6.697 1.862 0.233 0.594 0.889 0.778 CA 1.000 10 residues pruned to eliminate duplicates Z: 18 14.262 1.821 0.388 0.630 0.882 0.706 CA 1.372 21 residues pruned to eliminate duplicates Z: 16 19.407 2.064 0.485 0.877 0.933 0.800 CA 1.272 16 residues pruned to eliminate duplicates Z: 20 20.181 1.959 0.584 0.697 0.895 0.579 CB 1.393 20 residues pruned to eliminate duplicates Z: 22 24.168 1.982 0.764 0.703 0.952 0.714 CB 1.317 22 residues pruned to eliminate duplicates Z: 19 15.616 1.918 0.527 0.508 0.889 0.500 CA 1.403 19 residues pruned to eliminate duplicates Z: 22 22.667 1.944 0.749 0.716 0.905 0.524 CB 1.322 22 residues pruned to eliminate duplicates Z: 20 26.650 2.012 0.777 0.742 0.947 0.789 CB 1.453 20 residues pruned to eliminate duplicates Z: 22 19.494 1.922 0.759 0.692 0.810 0.571 CB 1.304 22 residues pruned to eliminate duplicates Z: 20 25.796 1.998 0.855 0.728 0.947 0.579 CB 1.372 20 residues pruned to eliminate duplicates Z: 19 21.796 1.973 0.849 0.783 0.833 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 29 20.760 1.927 0.593 0.641 0.893 0.536 CB 1.254 29 residues pruned to eliminate duplicates Z: 17 27.941 1.985 1.001 0.814 0.938 0.500 CB 1.427 17 residues pruned to eliminate duplicates Z: 22 22.962 1.925 0.729 0.756 0.952 0.714 CB 1.259 22 residues pruned to eliminate duplicates Z: 10 4.037 1.706 0.069 0.260 0.778 0.333 CB 1.248 Z: 6 3.293 1.481 0.394 0.520 0.800 0.400 N 0.874 4 residues pruned to eliminate duplicates Z: 6 3.253 1.522 0.708 0.418 0.600 0.400 O 1.016 6 residues pruned to eliminate duplicates Z: 16 10.921 2.016 0.199 0.463 0.867 0.667 CB 1.398 16 residues pruned to eliminate duplicates Z: 28 20.317 1.979 0.443 0.512 0.926 0.630 CB 1.462 28 residues pruned to eliminate duplicates Z: 16 15.654 2.028 0.279 0.517 1.000 0.600 CB 1.532 16 residues pruned to eliminate duplicates Z: 24 14.792 1.952 0.488 0.404 0.826 0.391 CB 1.421 24 residues pruned to eliminate duplicates Z: 39 17.522 1.919 0.353 0.369 0.921 0.500 CB 1.368 39 residues pruned to eliminate duplicates Z: 16 14.915 2.013 0.348 0.496 1.000 0.533 CB 1.425 16 residues pruned to eliminate duplicates Z: 31 19.354 1.905 0.434 0.427 0.900 0.600 CA 1.552 31 residues pruned to eliminate duplicates Z: 28 21.112 2.051 0.466 0.496 0.889 0.741 CB 1.526 28 residues pruned to eliminate duplicates Z: 29 15.334 1.984 0.146 0.434 0.857 0.571 CB 1.591 29 residues pruned to eliminate duplicates Z: 30 17.019 1.957 0.385 0.428 0.897 0.586 CB 1.401 30 residues pruned to eliminate duplicates Z: 23 15.255 1.955 0.330 0.384 0.955 0.545 CB 1.482 23 residues pruned to eliminate duplicates Z: 29 20.547 1.999 0.345 0.505 0.964 0.714 CB 1.490 29 residues pruned to eliminate duplicates Z: 33 18.255 1.927 0.411 0.430 0.844 0.531 CB 1.513 33 residues pruned to eliminate duplicates Z: 24 12.493 1.903 0.283 0.411 0.913 0.478 CB 1.283 24 residues pruned to eliminate duplicates Z: 24 13.172 1.974 0.360 0.410 0.826 0.609 CB 1.361 24 residues pruned to eliminate duplicates Z: 26 15.852 1.857 0.619 0.405 0.840 0.680 CB 1.387 26 residues pruned to eliminate duplicates Z: 30 18.126 1.963 0.529 0.451 0.828 0.621 CB 1.425 30 residues pruned to eliminate duplicates Z: 35 25.548 1.992 0.565 0.479 0.941 0.559 CB 1.525 40 residues pruned to eliminate duplicates Z: 6 4.400 1.330 0.762 0.392 1.000 0.800 N 0.941 6 residues pruned to eliminate duplicates Z: 19 20.147 2.060 0.584 0.495 0.944 0.722 CA 1.549 19 residues pruned to eliminate duplicates Z: 27 14.622 2.022 0.277 0.472 0.769 0.615 CB 1.485 27 residues pruned to eliminate duplicates Z: 31 17.805 1.985 0.479 0.432 0.833 0.633 CB 1.425 31 residues pruned to eliminate duplicates Z: 31 16.372 1.873 0.545 0.403 0.833 0.433 CB 1.372 31 residues pruned to eliminate duplicates Z: 13 8.749 1.612 0.448 0.559 0.833 0.500 CA 1.226 13 residues pruned to eliminate duplicates Z: 12 11.926 1.647 0.570 0.741 0.909 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 13 12.866 1.584 0.528 0.727 0.917 0.750 N 1.364 14 residues pruned to eliminate duplicates Z: 11 9.927 1.593 0.417 0.831 1.000 0.800 CB 1.046 11 residues pruned to eliminate duplicates Z: 12 9.782 1.616 0.515 0.646 0.909 0.636 CA 1.157 12 residues pruned to eliminate duplicates Z: 10 10.540 1.637 0.693 0.873 0.889 0.556 CB 1.039 10 residues pruned to eliminate duplicates Z: 12 13.142 1.576 0.558 0.891 1.000 0.909 CB 1.161 12 residues pruned to eliminate duplicates Z: 11 8.874 1.497 0.873 0.520 0.900 0.500 CB 1.090 8 residues pruned to eliminate duplicates Z: 13 15.870 1.589 0.756 0.907 1.000 0.833 CB 1.167 15 residues pruned to eliminate duplicates Z: 12 12.524 1.595 0.720 0.847 0.909 0.455 CB 1.124 12 residues pruned to eliminate duplicates Z: 9 10.428 1.564 0.675 0.792 1.000 0.625 CB 1.090 9 residues pruned to eliminate duplicates Z: 7 2.649 1.222 0.774 0.303 1.000 0.667 CB 0.621 4 residues pruned to eliminate duplicates Z: 17 11.194 1.504 0.615 0.623 0.938 0.562 CB 1.094 17 residues pruned to eliminate duplicates Z: 9 8.230 1.458 0.838 0.823 1.000 0.625 CB 0.821 9 residues pruned to eliminate duplicates Z: 8 6.237 1.486 1.071 0.685 0.714 0.286 CA 0.905 9 residues pruned to eliminate duplicates Z: 7 11.464 1.732 0.577 0.840 1.000 0.500 CA 1.278 7 residues pruned to eliminate duplicates Z: 8 7.448 1.540 0.480 0.677 0.857 0.286 CB 1.224 8 residues pruned to eliminate duplicates Z: 6 9.678 1.742 0.633 0.847 1.000 0.800 CA 1.130 5 residues pruned to eliminate duplicates Z: 7 5.308 1.334 1.015 0.529 1.000 0.833 CA 0.783 7 residues pruned to eliminate duplicates Z: 23 12.183 1.798 0.436 0.486 0.955 0.591 CB 1.069 23 residues pruned to eliminate duplicates Z: 9 7.219 1.873 0.427 0.357 1.000 0.750 CB 1.114 9 residues pruned to eliminate duplicates Z: 9 7.368 1.851 0.486 0.351 1.000 0.875 CB 1.113 9 residues pruned to eliminate duplicates Z: 13 7.278 1.876 0.222 0.391 0.917 0.583 CB 1.123 13 residues pruned to eliminate duplicates Z: 14 8.152 1.833 0.202 0.419 1.000 0.615 CB 1.117 14 residues pruned to eliminate duplicates Z: 29 17.319 1.816 0.389 0.675 0.929 0.679 CB 1.189 29 residues pruned to eliminate duplicates Z: 26 11.101 1.732 0.367 0.497 0.960 0.560 CB 0.980 23 residues pruned to eliminate duplicates Z: 15 19.353 1.863 0.582 0.890 1.000 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 28 21.738 1.777 0.730 0.631 0.963 0.481 CB 1.249 28 residues pruned to eliminate duplicates Z: 25 11.536 1.766 0.412 0.548 0.875 0.500 CB 1.030 25 residues pruned to eliminate duplicates Z: 27 20.494 1.833 0.569 0.706 0.962 0.692 CB 1.206 27 residues pruned to eliminate duplicates Z: 12 11.248 1.800 0.574 0.719 0.909 0.455 CA 1.080 12 residues pruned to eliminate duplicates Z: 13 22.503 1.865 1.099 0.893 0.917 0.750 N 1.300 13 residues pruned to eliminate duplicates Z: 29 18.108 1.832 0.511 0.652 0.893 0.571 CB 1.201 29 residues pruned to eliminate duplicates Z: 22 16.271 1.811 0.693 0.638 0.857 0.381 CB 1.187 22 residues pruned to eliminate duplicates Z: 16 17.417 1.808 0.810 0.825 0.933 0.600 N 1.111 16 residues pruned to eliminate duplicates Z: 29 20.835 1.808 0.708 0.622 0.929 0.536 CB 1.224 29 residues pruned to eliminate duplicates Z: 29 17.337 1.780 0.605 0.639 0.893 0.393 CB 1.128 29 residues pruned to eliminate duplicates Z: 15 17.560 1.793 1.002 0.772 0.929 0.500 N 1.108 15 residues pruned to eliminate duplicates Z: 10 9.739 1.686 0.616 0.615 0.889 0.667 N 1.202 10 residues pruned to eliminate duplicates Z: 28 20.699 1.835 0.702 0.701 0.926 0.593 CB 1.147 28 residues pruned to eliminate duplicates Z: 27 17.809 1.784 0.870 0.710 0.769 0.385 CB 1.124 27 residues pruned to eliminate duplicates Z: 12 9.839 1.615 0.624 0.511 0.909 0.273 CB 1.231 17 residues pruned to eliminate duplicates Z: 6 2.475 1.433 0.457 0.488 1.000 0.800 CB 0.537 6 residues pruned to eliminate duplicates Z: 6 11.516 1.657 0.974 0.808 1.000 0.600 CB 1.204 6 residues pruned to eliminate duplicates Z: 13 9.593 1.618 0.437 0.789 0.917 0.833 CB 1.008 13 residues pruned to eliminate duplicates Z: 22 9.035 1.684 0.397 0.331 0.810 0.476 CB 1.245 22 residues pruned to eliminate duplicates Z: 13 3.513 1.407 0.603 0.316 0.750 0.250 CB 0.735 13 residues pruned to eliminate duplicates Z: 10 8.804 1.630 0.591 0.752 0.889 0.778 CA 1.016 10 residues pruned to eliminate duplicates Z: 14 9.321 1.596 0.330 0.671 0.923 0.538 CA 1.128 14 residues pruned to eliminate duplicates Z: 10 13.027 1.833 0.349 0.854 1.000 0.667 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 12.862 1.819 0.382 0.871 1.000 0.889 CB 1.244 11 residues pruned to eliminate duplicates Z: 11 10.236 1.754 0.268 0.840 0.900 0.700 CA 1.207 11 residues pruned to eliminate duplicates Z: 7 3.619 1.571 0.405 0.352 0.667 0.500 CB 1.178 7 residues pruned to eliminate duplicates Z: 9 3.772 1.672 0.288 0.370 0.875 0.375 CB 0.814 9 residues pruned to eliminate duplicates Z: 6 8.525 1.580 0.966 0.462 1.000 1.000 O 1.276 7 residues pruned to eliminate duplicates Z: 6 6.610 1.616 0.783 0.317 1.000 0.400 CA 1.255 8 residues pruned to eliminate duplicates Z: 6 5.232 1.658 0.433 0.363 1.000 1.000 CB 1.141 Z: 9 9.095 1.755 0.214 0.798 1.000 0.625 CB 1.163 9 residues pruned to eliminate duplicates Z: 20 11.377 1.725 0.361 0.608 0.842 0.684 CB 1.192 20 residues pruned to eliminate duplicates Z: 12 8.499 1.594 0.192 0.714 0.909 0.818 CA 1.222 12 residues pruned to eliminate duplicates Z: 12 12.176 1.637 0.410 0.724 1.000 0.727 CA 1.300 12 residues pruned to eliminate duplicates Z: 17 11.955 1.765 0.276 0.684 0.938 0.688 CB 1.196 17 residues pruned to eliminate duplicates Z: 16 11.569 1.770 0.242 0.746 0.933 0.867 CB 1.169 16 residues pruned to eliminate duplicates Z: 20 11.137 1.617 0.485 0.587 0.947 0.789 CB 1.033 18 residues pruned to eliminate duplicates Z: 10 13.176 1.756 0.484 0.901 1.000 0.889 CB 1.203 10 residues pruned to eliminate duplicates Z: 12 10.959 1.836 0.452 0.659 0.909 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 13 9.410 1.688 0.443 0.565 0.833 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 15 11.379 1.772 0.420 0.727 0.929 0.714 CB 1.060 15 residues pruned to eliminate duplicates Z: 44 17.694 1.858 0.387 0.497 0.884 0.651 CB 1.188 51 residues pruned to eliminate duplicates Z: 18 11.202 1.769 0.409 0.616 0.882 0.529 CB 1.107 18 residues pruned to eliminate duplicates Z: 19 10.980 1.597 0.307 0.619 0.889 0.556 CB 1.246 17 residues pruned to eliminate duplicates Z: 21 11.216 1.664 0.405 0.596 0.950 0.850 CB 1.031 21 residues pruned to eliminate duplicates Z: 8 6.279 1.705 0.369 0.419 1.000 0.857 CB 1.107 8 residues pruned to eliminate duplicates Z: 7 7.407 1.719 0.507 0.483 0.833 0.667 CA 1.425 Z: 9 9.855 1.518 0.877 0.674 1.000 0.375 CB 1.042 9 residues pruned to eliminate duplicates Z: 20 14.589 1.800 0.404 0.596 0.947 0.526 CB 1.276 22 residues pruned to eliminate duplicates Z: 11 13.544 1.793 0.535 0.765 0.900 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 21 13.086 1.769 0.430 0.555 0.850 0.500 CB 1.289 21 residues pruned to eliminate duplicates Z: 12 14.295 1.834 0.589 0.688 1.000 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 13 12.974 1.782 0.597 0.687 0.917 0.750 CA 1.209 13 residues pruned to eliminate duplicates Z: 14 12.807 1.776 0.539 0.671 0.923 0.769 CB 1.202 14 residues pruned to eliminate duplicates Z: 19 15.653 1.814 0.481 0.649 0.889 0.611 CB 1.344 18 residues pruned to eliminate duplicates Z: 13 14.804 1.864 0.514 0.676 1.000 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 23 12.849 1.738 0.246 0.610 0.864 0.455 CB 1.320 22 residues pruned to eliminate duplicates Z: 7 5.922 1.471 0.735 0.546 1.000 0.000 N 0.905 8 residues pruned to eliminate duplicates Z: 7 8.354 1.485 1.001 0.832 1.000 0.833 CA 0.862 7 residues pruned to eliminate duplicates Z: 29 21.188 1.946 0.475 0.551 0.893 0.714 CB 1.486 29 residues pruned to eliminate duplicates Z: 26 20.204 1.961 0.496 0.656 0.920 0.680 CB 1.296 26 residues pruned to eliminate duplicates Z: 23 23.996 2.042 0.464 0.676 1.000 0.773 CB 1.455 25 residues pruned to eliminate duplicates Z: 19 21.605 1.930 0.558 0.717 1.000 0.833 CB 1.392 19 residues pruned to eliminate duplicates Z: 36 26.444 1.950 0.591 0.524 0.971 0.543 CB 1.449 39 residues pruned to eliminate duplicates Z: 19 23.352 1.958 0.685 0.711 0.944 0.556 CB 1.459 19 residues pruned to eliminate duplicates Z: 23 23.288 1.991 0.633 0.673 0.955 0.727 CB 1.364 23 residues pruned to eliminate duplicates Z: 24 22.956 2.007 0.563 0.654 1.000 0.609 CB 1.323 24 residues pruned to eliminate duplicates Z: 26 17.700 1.840 0.516 0.561 0.880 0.560 CB 1.360 26 residues pruned to eliminate duplicates Z: 25 25.228 1.995 0.611 0.626 1.000 0.750 CB 1.423 25 residues pruned to eliminate duplicates Z: 25 22.630 1.985 0.615 0.683 0.917 0.667 CB 1.328 25 residues pruned to eliminate duplicates Z: 24 23.890 2.017 0.582 0.686 0.957 0.870 CB 1.375 24 residues pruned to eliminate duplicates Z: 25 23.339 1.952 0.507 0.639 1.000 0.708 CB 1.422 25 residues pruned to eliminate duplicates Z: 25 24.624 2.027 0.658 0.683 0.958 0.667 CB 1.320 25 residues pruned to eliminate duplicates Z: 27 24.970 1.910 0.678 0.623 0.962 0.654 CB 1.415 27 residues pruned to eliminate duplicates Z: 23 24.464 1.988 0.536 0.682 1.000 0.773 CB 1.446 23 residues pruned to eliminate duplicates Z: 32 24.063 1.862 0.756 0.530 0.903 0.516 CB 1.421 27 residues pruned to eliminate duplicates Z: 22 18.545 1.878 0.586 0.634 0.857 0.524 CB 1.399 22 residues pruned to eliminate duplicates Z: 37 25.742 1.951 0.571 0.580 0.917 0.611 CB 1.414 37 residues pruned to eliminate duplicates Z: 6 3.321 1.568 0.221 0.444 1.000 0.600 CA 0.822 6 residues pruned to eliminate duplicates Z: 41 21.714 1.932 0.516 0.503 0.875 0.525 CB 1.336 37 residues pruned to eliminate duplicates Z: 6 2.172 1.432 0.395 0.425 0.600 0.200 CA 0.876 6 residues pruned to eliminate duplicates Z: 34 16.795 1.875 0.586 0.511 0.818 0.364 CB 1.189 34 residues pruned to eliminate duplicates Z: 40 22.292 1.964 0.496 0.539 0.897 0.615 CB 1.304 41 residues pruned to eliminate duplicates Z: 8 6.149 1.753 0.266 0.406 0.857 0.714 CB 1.350 8 residues pruned to eliminate duplicates Z: 6 8.296 1.703 0.990 0.780 0.800 0.600 CB 1.069 6 residues pruned to eliminate duplicates Z: 6 6.630 1.976 0.821 0.551 0.800 0.600 CB 0.980 6 residues pruned to eliminate duplicates Z: 14 22.493 2.051 0.515 0.851 1.000 0.923 CB 1.486 14 residues pruned to eliminate duplicates Z: 14 18.592 2.035 0.427 0.840 1.000 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 14 20.793 2.013 0.555 0.853 0.923 0.769 CA 1.475 14 residues pruned to eliminate duplicates Z: 15 19.618 1.907 0.430 0.941 1.000 0.929 CB 1.334 15 residues pruned to eliminate duplicates Z: 17 16.916 1.858 0.397 0.749 0.938 0.875 CB 1.391 17 residues pruned to eliminate duplicates Z: 13 20.303 2.015 0.497 0.817 1.000 0.917 CB 1.476 13 residues pruned to eliminate duplicates Z: 14 23.629 2.027 0.602 0.856 1.000 0.923 CB 1.487 14 residues pruned to eliminate duplicates Z: 14 17.711 1.921 0.686 0.774 0.923 0.846 CB 1.289 15 residues pruned to eliminate duplicates Z: 14 22.481 1.957 0.677 0.917 0.923 0.769 CA 1.452 13 residues pruned to eliminate duplicates Z: 14 23.888 1.974 0.599 0.926 1.000 0.769 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 20.881 1.831 0.666 0.905 1.000 0.733 CB 1.258 16 residues pruned to eliminate duplicates Z: 16 18.741 1.843 0.598 0.897 0.933 0.733 CB 1.260 16 residues pruned to eliminate duplicates Z: 7 6.130 1.566 0.305 0.806 0.833 0.500 N 1.125 6 residues pruned to eliminate duplicates Z: 8 6.901 1.490 0.579 0.732 0.857 0.429 N 1.050 8 residues pruned to eliminate duplicates Z: 9 7.162 1.429 0.468 0.783 0.875 0.375 N 1.075 8 residues pruned to eliminate duplicates Z: 9 4.724 1.356 0.414 0.544 0.875 0.500 CB 0.953 9 residues pruned to eliminate duplicates Z: 13 12.129 1.886 0.243 0.544 1.000 0.833 CB 1.430 13 residues pruned to eliminate duplicates Z: 18 9.484 1.770 0.239 0.437 0.941 0.529 CB 1.190 18 residues pruned to eliminate duplicates Z: 16 8.837 1.844 0.283 0.445 0.800 0.533 CB 1.276 16 residues pruned to eliminate duplicates Z: 15 11.579 1.812 0.357 0.507 0.929 0.571 CB 1.345 15 residues pruned to eliminate duplicates Z: 16 11.202 1.916 0.470 0.429 0.867 0.533 CB 1.276 16 residues pruned to eliminate duplicates Z: 15 10.220 1.750 0.398 0.382 0.929 0.429 CB 1.364 15 residues pruned to eliminate duplicates Z: 37 19.394 1.887 0.421 0.522 0.889 0.750 CB 1.326 37 residues pruned to eliminate duplicates Z: 14 10.732 1.898 0.295 0.475 0.923 0.615 CB 1.345 14 residues pruned to eliminate duplicates Z: 16 10.766 1.893 0.411 0.440 0.867 0.400 CB 1.278 16 residues pruned to eliminate duplicates Z: 35 19.028 1.855 0.514 0.469 0.882 0.588 CB 1.359 35 residues pruned to eliminate duplicates Z: 18 8.686 1.861 0.274 0.364 0.882 0.588 CB 1.166 18 residues pruned to eliminate duplicates Z: 20 8.694 1.803 0.303 0.342 0.947 0.526 CB 1.064 20 residues pruned to eliminate duplicates Z: 32 21.564 1.944 0.496 0.539 0.903 0.677 CB 1.419 32 residues pruned to eliminate duplicates Z: 35 19.747 1.896 0.427 0.548 0.912 0.676 CB 1.310 35 residues pruned to eliminate duplicates Z: 32 20.133 1.957 0.623 0.522 0.839 0.613 CB 1.328 32 residues pruned to eliminate duplicates Z: 34 21.367 1.826 0.640 0.542 0.879 0.576 CB 1.356 34 residues pruned to eliminate duplicates Z: 46 29.576 1.893 0.742 0.591 0.844 0.600 CB 1.451 46 residues pruned to eliminate duplicates Z: 35 21.889 1.914 0.554 0.583 0.882 0.706 CB 1.321 35 residues pruned to eliminate duplicates Z: 17 27.334 1.857 0.806 0.892 0.938 0.875 CA 1.562 17 residues pruned to eliminate duplicates Z: 18 21.043 1.923 0.822 0.821 0.882 0.765 CB 1.250 18 residues pruned to eliminate duplicates Z: 37 20.568 1.866 0.513 0.514 0.917 0.639 CB 1.307 37 residues pruned to eliminate duplicates Z: 14 14.010 1.903 1.109 0.627 0.692 0.154 CB 1.241 14 residues pruned to eliminate duplicates Z: 23 18.187 1.781 0.785 0.645 0.909 0.409 CB 1.171 23 residues pruned to eliminate duplicates Z: 15 20.234 1.969 0.839 0.725 0.786 0.357 CB 1.552 15 residues pruned to eliminate duplicates Z: 19 21.038 1.878 0.971 0.784 0.889 0.278 CB 1.174 19 residues pruned to eliminate duplicates Z: 19 22.634 1.949 0.760 0.670 0.889 0.611 CB 1.496 19 residues pruned to eliminate duplicates Z: 45 32.820 1.944 0.779 0.616 0.909 0.727 CB 1.410 45 residues pruned to eliminate duplicates Z: 35 25.120 1.864 0.666 0.565 0.912 0.647 CB 1.429 35 residues pruned to eliminate duplicates Z: 39 22.510 1.832 0.588 0.545 0.868 0.605 CB 1.383 39 residues pruned to eliminate duplicates Z: 42 24.310 1.882 0.529 0.539 0.902 0.488 CB 1.408 42 residues pruned to eliminate duplicates Z: 45 37.329 1.932 0.766 0.661 0.932 0.705 CB 1.525 45 residues pruned to eliminate duplicates Z: 6 3.606 1.479 0.593 0.314 0.800 0.600 O 1.052 6 residues pruned to eliminate duplicates Z: 62 29.129 1.902 0.592 0.535 0.918 0.639 CB 1.296 62 residues pruned to eliminate duplicates Z: 24 11.411 1.706 0.538 0.416 0.826 0.478 CA 1.199 24 residues pruned to eliminate duplicates Z: 55 21.698 1.808 0.598 0.445 0.815 0.519 CB 1.327 55 residues pruned to eliminate duplicates Z: 48 29.449 1.888 0.665 0.576 0.894 0.574 CB 1.421 48 residues pruned to eliminate duplicates Z: 22 21.954 1.853 0.804 0.670 0.905 0.667 CB 1.354 22 residues pruned to eliminate duplicates Z: 32 25.628 1.861 0.735 0.577 0.935 0.710 CB 1.415 32 residues pruned to eliminate duplicates Z: 48 23.390 1.855 0.606 0.518 0.872 0.596 CB 1.289 48 residues pruned to eliminate duplicates Z: 33 24.115 1.878 0.591 0.577 0.906 0.594 CB 1.462 33 residues pruned to eliminate duplicates Z: 49 27.666 1.913 0.590 0.565 0.875 0.542 CB 1.408 49 residues pruned to eliminate duplicates Z: 32 23.912 1.865 0.552 0.621 0.935 0.774 CB 1.416 32 residues pruned to eliminate duplicates Z: 46 33.422 1.893 0.691 0.623 0.911 0.622 CB 1.520 46 residues pruned to eliminate duplicates Z: 36 21.673 1.814 0.579 0.517 0.914 0.600 CB 1.375 36 residues pruned to eliminate duplicates Z: 45 33.894 1.896 0.608 0.678 0.955 0.636 CB 1.490 45 residues pruned to eliminate duplicates Z: 60 22.991 1.844 0.456 0.427 0.898 0.542 CB 1.339 60 residues pruned to eliminate duplicates Z: 21 19.427 1.891 0.680 0.614 0.900 0.650 CB 1.364 21 residues pruned to eliminate duplicates Z: 27 21.373 1.914 0.610 0.575 0.885 0.731 CB 1.431 27 residues pruned to eliminate duplicates Z: 26 20.189 1.860 0.684 0.559 0.920 0.520 CB 1.324 26 residues pruned to eliminate duplicates Z: 29 23.095 1.901 0.594 0.598 0.893 0.679 CB 1.469 29 residues pruned to eliminate duplicates Z: 29 24.815 1.908 0.608 0.625 0.964 0.786 CB 1.409 29 residues pruned to eliminate duplicates Z: 33 22.267 1.835 0.609 0.562 0.938 0.625 CA 1.339 33 residues pruned to eliminate duplicates Z: 12 15.342 1.807 0.616 0.824 1.000 0.727 CB 1.197 12 residues pruned to eliminate duplicates Z: 28 24.622 1.894 0.614 0.626 0.963 0.741 CA 1.429 28 residues pruned to eliminate duplicates Z: 7 9.195 1.809 0.473 0.698 1.000 0.667 CA 1.175 9 residues pruned to eliminate duplicates Z: 8 12.427 1.797 0.419 0.884 1.000 0.714 CA 1.331 7 residues pruned to eliminate duplicates Z: 9 9.467 1.751 0.171 0.797 1.000 0.500 CB 1.258 9 residues pruned to eliminate duplicates Z: 9 11.223 1.791 0.572 0.770 0.875 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 9 12.045 1.793 0.606 0.848 0.875 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 8 11.713 1.788 0.604 0.833 0.857 0.571 CA 1.351 8 residues pruned to eliminate duplicates Z: 8 11.722 1.803 0.706 0.726 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 8 11.405 1.786 0.703 0.824 0.857 0.571 CB 1.249 8 residues pruned to eliminate duplicates Z: 8 12.693 1.789 0.845 0.833 0.857 0.571 CA 1.272 8 residues pruned to eliminate duplicates Z: 9 12.811 1.750 1.012 0.854 0.875 0.750 CB 1.086 9 residues pruned to eliminate duplicates Z: 8 15.951 1.792 1.312 0.848 0.857 0.571 CB 1.259 8 residues pruned to eliminate duplicates Z: 6 8.183 1.713 1.128 0.579 0.800 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 12 11.993 1.618 1.004 0.688 0.909 0.455 CB 1.033 12 residues pruned to eliminate duplicates Z: 13 16.986 1.898 0.447 0.758 1.000 0.667 CB 1.420 12 residues pruned to eliminate duplicates Z: 13 14.924 1.882 0.438 0.765 1.000 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 12 14.744 1.894 0.450 0.734 1.000 0.909 CB 1.312 12 residues pruned to eliminate duplicates Z: 13 15.248 1.828 0.603 0.713 1.000 0.667 CB 1.238 14 residues pruned to eliminate duplicates Z: 11 18.467 1.954 0.580 0.812 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 11 21.097 1.984 0.629 0.840 1.000 0.800 CA 1.541 11 residues pruned to eliminate duplicates Z: 11 18.626 1.938 0.561 0.844 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 12 17.806 1.925 0.558 0.746 1.000 0.636 CB 1.436 12 residues pruned to eliminate duplicates Z: 7 3.542 1.504 0.510 0.477 0.667 0.333 CB 0.977 8 residues pruned to eliminate duplicates Z: 10 19.179 2.025 0.512 0.809 1.000 0.667 CA 1.596 10 residues pruned to eliminate duplicates Z: 14 10.277 2.065 0.698 0.378 0.846 0.615 CB 1.094 14 residues pruned to eliminate duplicates Z: 15 9.972 2.029 0.473 0.393 0.857 0.571 CB 1.165 15 residues pruned to eliminate duplicates Z: 12 10.997 2.076 0.689 0.331 0.909 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 23 12.008 1.878 0.398 0.387 0.909 0.773 CB 1.208 23 residues pruned to eliminate duplicates Z: 29 21.484 1.964 0.658 0.566 0.893 0.607 CB 1.310 38 residues pruned to eliminate duplicates Z: 7 10.704 1.845 1.211 0.443 0.833 0.333 CB 1.363 7 residues pruned to eliminate duplicates Z: 29 20.944 1.996 0.703 0.603 0.929 0.643 CB 1.136 29 residues pruned to eliminate duplicates Z: 29 22.668 2.003 0.596 0.576 0.929 0.679 CB 1.341 29 residues pruned to eliminate duplicates Z: 29 20.017 1.987 0.751 0.564 0.893 0.607 CB 1.144 29 residues pruned to eliminate duplicates Z: 22 13.684 1.898 0.633 0.393 0.857 0.524 CB 1.259 22 residues pruned to eliminate duplicates Z: 30 20.751 1.972 0.645 0.598 0.897 0.621 CB 1.207 30 residues pruned to eliminate duplicates Z: 30 22.034 2.013 0.611 0.586 0.931 0.655 CB 1.248 30 residues pruned to eliminate duplicates Z: 27 21.327 2.051 0.545 0.594 0.923 0.577 CB 1.308 27 residues pruned to eliminate duplicates Z: 29 21.831 2.017 0.678 0.592 0.929 0.714 CB 1.203 29 residues pruned to eliminate duplicates Z: 30 20.523 1.932 0.531 0.606 0.931 0.862 CB 1.250 30 residues pruned to eliminate duplicates Z: 28 24.984 2.026 0.774 0.625 0.963 0.630 CB 1.235 28 residues pruned to eliminate duplicates Z: 14 17.548 1.941 0.756 0.882 0.846 0.846 CA 1.221 14 residues pruned to eliminate duplicates Z: 27 21.105 1.989 0.715 0.600 0.962 0.731 CB 1.147 27 residues pruned to eliminate duplicates Z: 30 20.514 1.985 0.579 0.582 0.897 0.690 CB 1.253 30 residues pruned to eliminate duplicates Z: 12 20.885 2.009 0.889 0.898 0.909 0.727 CB 1.306 12 residues pruned to eliminate duplicates Z: 29 23.216 2.012 0.866 0.573 0.893 0.679 CB 1.221 29 residues pruned to eliminate duplicates Z: 29 20.335 1.970 0.635 0.571 0.929 0.786 CB 1.200 29 residues pruned to eliminate duplicates Z: 29 22.243 2.032 0.696 0.600 0.929 0.750 CB 1.194 29 residues pruned to eliminate duplicates Z: 9 11.559 1.900 0.527 0.748 0.875 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 10 9.505 1.824 0.451 0.601 0.889 0.444 N 1.223 10 residues pruned to eliminate duplicates Z: 9 13.449 1.777 0.801 0.678 0.875 0.750 CA 1.441 10 residues pruned to eliminate duplicates Z: 11 11.996 1.782 0.861 0.754 0.900 0.500 CB 1.013 11 residues pruned to eliminate duplicates Z: 17 12.492 1.764 0.509 0.716 0.875 0.625 CB 1.103 17 residues pruned to eliminate duplicates Z: 21 18.293 1.792 0.720 0.747 0.800 0.700 N 1.330 21 residues pruned to eliminate duplicates Z: 17 24.172 1.879 0.801 0.820 0.938 0.438 N 1.443 17 residues pruned to eliminate duplicates Z: 18 21.955 1.804 0.870 0.804 0.941 0.706 CB 1.286 18 residues pruned to eliminate duplicates Z: 19 20.393 1.708 1.009 0.806 0.944 0.611 CB 1.135 19 residues pruned to eliminate duplicates Z: 17 23.695 1.878 1.100 0.879 0.875 0.750 CB 1.244 17 residues pruned to eliminate duplicates Z: 29 21.423 1.810 0.769 0.685 0.893 0.429 CB 1.195 29 residues pruned to eliminate duplicates Z: 30 26.027 1.851 0.827 0.696 0.931 0.724 CB 1.283 27 residues pruned to eliminate duplicates Z: 18 26.341 1.787 0.945 0.907 0.941 0.824 CA 1.388 16 residues pruned to eliminate duplicates Z: 10 9.892 1.658 0.596 0.872 0.889 0.667 CB 1.022 10 residues pruned to eliminate duplicates Z: 26 19.802 1.861 0.569 0.713 0.960 0.720 CB 1.164 26 residues pruned to eliminate duplicates Z: 27 26.770 1.898 0.770 0.771 0.923 0.615 CB 1.332 27 residues pruned to eliminate duplicates Z: 19 14.466 1.783 0.657 0.573 0.944 0.556 CA 1.139 19 residues pruned to eliminate duplicates Z: 30 21.443 1.809 0.735 0.698 0.966 0.586 CB 1.097 30 residues pruned to eliminate duplicates Z: 18 18.473 1.865 0.954 0.637 0.824 0.529 CB 1.313 18 residues pruned to eliminate duplicates Z: 58 28.551 1.950 0.609 0.586 0.877 0.561 CB 1.265 63 residues pruned to eliminate duplicates Z: 10 5.999 1.554 0.233 0.540 0.889 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 26 21.357 1.792 0.735 0.638 0.880 0.520 CB 1.371 26 residues pruned to eliminate duplicates Z: 24 15.985 1.818 0.646 0.526 0.826 0.522 CB 1.314 24 residues pruned to eliminate duplicates Z: 57 32.406 1.980 0.730 0.619 0.893 0.571 CB 1.265 57 residues pruned to eliminate duplicates Z: 42 24.660 2.028 0.550 0.508 0.878 0.707 CB 1.385 42 residues pruned to eliminate duplicates Z: 50 26.903 1.976 0.590 0.544 0.898 0.633 CB 1.305 50 residues pruned to eliminate duplicates Z: 31 26.197 2.071 0.537 0.595 0.967 0.667 CB 1.419 31 residues pruned to eliminate duplicates Z: 17 21.278 1.954 0.740 0.560 1.000 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 33 25.183 2.029 0.612 0.622 0.938 0.625 CB 1.293 33 residues pruned to eliminate duplicates Z: 32 27.084 2.060 0.486 0.648 1.000 0.774 CB 1.384 32 residues pruned to eliminate duplicates Z: 56 32.751 1.953 0.648 0.608 0.927 0.582 CB 1.336 56 residues pruned to eliminate duplicates Z: 57 31.158 1.933 0.625 0.586 0.911 0.518 CB 1.341 57 residues pruned to eliminate duplicates Z: 46 24.268 1.936 0.473 0.491 0.933 0.600 CB 1.371 46 residues pruned to eliminate duplicates Z: 37 26.068 1.991 0.564 0.592 0.972 0.611 CB 1.315 37 residues pruned to eliminate duplicates Z: 33 24.792 2.043 0.473 0.634 0.969 0.688 CB 1.325 33 residues pruned to eliminate duplicates Z: 31 27.277 2.047 0.537 0.602 0.967 0.567 CB 1.486 31 residues pruned to eliminate duplicates Z: 24 32.956 2.166 0.794 0.665 1.000 0.652 CB 1.518 24 residues pruned to eliminate duplicates Z: 31 28.846 2.097 0.585 0.649 0.967 0.667 CB 1.426 31 residues pruned to eliminate duplicates Z: 32 27.908 2.073 0.549 0.631 1.000 0.516 CB 1.380 32 residues pruned to eliminate duplicates Z: 31 26.627 2.090 0.574 0.626 0.967 0.500 CB 1.358 31 residues pruned to eliminate duplicates Z: 32 28.776 2.074 0.616 0.617 1.000 0.645 CB 1.381 32 residues pruned to eliminate duplicates Z: 32 24.494 2.008 0.584 0.562 0.935 0.677 CB 1.392 32 residues pruned to eliminate duplicates Z: 27 27.031 2.106 0.539 0.638 1.000 0.615 CB 1.437 27 residues pruned to eliminate duplicates Z: 26 26.043 2.117 0.477 0.645 1.000 0.760 CB 1.454 26 residues pruned to eliminate duplicates Z: 31 25.622 2.095 0.440 0.626 0.967 0.767 CB 1.425 31 residues pruned to eliminate duplicates Z: 32 30.035 2.084 0.633 0.651 1.000 0.710 CB 1.377 32 residues pruned to eliminate duplicates Z: 42 24.229 1.986 0.556 0.578 0.927 0.610 CB 1.226 42 residues pruned to eliminate duplicates Z: 28 26.488 2.068 0.645 0.637 0.963 0.593 CB 1.370 28 residues pruned to eliminate duplicates Z: 27 26.854 2.118 0.463 0.681 1.000 0.692 CB 1.439 27 residues pruned to eliminate duplicates Z: 36 24.740 1.992 0.615 0.565 0.943 0.657 CB 1.294 36 residues pruned to eliminate duplicates Z: 33 22.724 2.031 0.451 0.582 0.969 0.688 CB 1.300 33 residues pruned to eliminate duplicates Z: 31 24.893 2.085 0.637 0.646 0.933 0.533 CB 1.245 31 residues pruned to eliminate duplicates Z: 44 28.002 1.990 0.649 0.580 0.930 0.512 CB 1.295 44 residues pruned to eliminate duplicates Z: 26 29.927 2.152 0.721 0.678 1.000 0.640 CB 1.371 26 residues pruned to eliminate duplicates Z: 13 14.777 2.009 0.429 0.561 0.917 0.500 CB 1.528 13 residues pruned to eliminate duplicates Z: 13 15.352 1.968 0.679 0.595 0.917 0.417 CB 1.337 13 residues pruned to eliminate duplicates Z: 15 14.607 1.936 0.482 0.475 0.929 0.500 CB 1.503 15 residues pruned to eliminate duplicates Z: 13 13.907 1.961 0.636 0.586 0.833 0.583 CB 1.383 13 residues pruned to eliminate duplicates Z: 13 13.897 2.046 0.487 0.544 0.750 0.583 CB 1.683 13 residues pruned to eliminate duplicates Z: 13 14.292 2.098 0.287 0.703 0.917 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 17 15.235 2.052 0.415 0.594 0.875 0.625 CB 1.370 17 residues pruned to eliminate duplicates Z: 19 13.698 1.917 0.531 0.510 0.833 0.556 CB 1.307 19 residues pruned to eliminate duplicates Z: 20 15.633 1.990 0.474 0.489 0.842 0.526 CA 1.469 20 residues pruned to eliminate duplicates Z: 20 13.811 2.011 0.522 0.474 0.895 0.632 CB 1.187 20 residues pruned to eliminate duplicates Z: 25 17.755 2.081 0.625 0.465 0.875 0.625 CB 1.269 25 residues pruned to eliminate duplicates Z: 20 14.147 1.988 0.612 0.412 0.842 0.368 CB 1.319 20 residues pruned to eliminate duplicates Z: 25 17.613 2.091 0.620 0.414 0.833 0.458 CB 1.394 25 residues pruned to eliminate duplicates Z: 23 16.372 2.130 0.400 0.485 0.864 0.455 CB 1.376 23 residues pruned to eliminate duplicates Z: 18 11.013 1.999 0.618 0.373 0.941 0.529 CB 1.006 18 residues pruned to eliminate duplicates Z: 14 8.639 2.029 0.414 0.309 0.846 0.385 CB 1.221 14 residues pruned to eliminate duplicates Z: 14 10.939 2.039 0.470 0.386 0.846 0.462 CB 1.350 14 residues pruned to eliminate duplicates Z: 10 10.590 1.983 0.451 0.566 0.889 0.556 CB 1.295 10 residues pruned to eliminate duplicates Z: 22 15.490 2.071 0.489 0.406 0.857 0.476 CB 1.411 22 residues pruned to eliminate duplicates Z: 13 11.215 2.148 0.355 0.454 0.833 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 24 12.926 1.990 0.270 0.384 0.826 0.435 CA 1.461 24 residues pruned to eliminate duplicates Z: 11 9.856 2.019 0.450 0.513 0.900 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 16 10.453 1.920 0.741 0.384 0.867 0.400 CB 1.054 16 residues pruned to eliminate duplicates Z: 27 15.019 1.921 0.565 0.441 0.962 0.423 CB 1.082 27 residues pruned to eliminate duplicates Z: 21 10.383 1.956 0.340 0.292 0.850 0.350 CB 1.315 21 residues pruned to eliminate duplicates Z: 20 10.914 1.777 0.240 0.486 0.789 0.526 N 1.460 20 residues pruned to eliminate duplicates Z: 35 18.090 1.984 0.442 0.432 0.824 0.529 CB 1.412 35 residues pruned to eliminate duplicates Z: 11 12.436 1.843 0.363 0.728 0.800 0.700 N 1.594 11 residues pruned to eliminate duplicates Z: 12 4.618 1.742 -0.138 0.317 0.909 0.455 CB 1.248 9 residues pruned to eliminate duplicates Z: 14 20.395 1.965 0.174 0.884 1.000 0.923 CA 1.772 14 residues pruned to eliminate duplicates Z: 17 24.105 1.973 0.545 0.792 0.938 0.750 CA 1.631 17 residues pruned to eliminate duplicates Z: 13 22.712 1.925 0.857 0.801 0.917 0.583 CB 1.538 13 residues pruned to eliminate duplicates Z: 15 29.305 2.010 1.011 0.875 1.000 0.286 CB 1.409 15 residues pruned to eliminate duplicates Z: 20 24.587 1.945 0.781 0.561 0.895 0.684 CB 1.716 20 residues pruned to eliminate duplicates Z: 16 21.482 1.961 0.822 0.695 0.933 0.733 CB 1.392 16 residues pruned to eliminate duplicates Z: 16 23.978 1.915 0.737 0.693 0.933 0.733 N 1.672 16 residues pruned to eliminate duplicates Z: 15 21.121 1.892 0.815 0.661 0.929 0.571 CA 1.524 15 residues pruned to eliminate duplicates Z: 14 25.226 2.083 0.832 0.864 0.923 0.769 CB 1.456 14 residues pruned to eliminate duplicates Z: 14 31.700 2.050 0.912 0.928 1.000 0.692 CB 1.571 14 residues pruned to eliminate duplicates Z: 17 27.333 1.873 0.888 0.830 0.938 0.688 CB 1.550 17 residues pruned to eliminate duplicates Z: 15 29.567 1.990 0.896 0.923 1.000 0.643 CB 1.472 15 residues pruned to eliminate duplicates Z: 21 9.304 1.704 0.412 0.336 0.850 0.400 CB 1.217 21 residues pruned to eliminate duplicates Z: 6 7.956 1.845 0.438 0.444 1.000 0.800 CA 1.420 6 residues pruned to eliminate duplicates Z: 18 10.322 1.708 0.515 0.390 0.882 0.529 CB 1.232 18 residues pruned to eliminate duplicates Z: 19 10.920 1.722 0.706 0.333 0.889 0.389 CB 1.184 19 residues pruned to eliminate duplicates Z: 13 7.844 1.644 0.355 0.577 0.667 0.417 N 1.416 13 residues pruned to eliminate duplicates Z: 11 6.189 1.819 0.707 0.209 0.800 0.500 CB 1.110 11 residues pruned to eliminate duplicates Z: 9 9.358 1.752 0.321 0.695 0.875 0.375 CA 1.368 9 residues pruned to eliminate duplicates Z: 25 10.839 1.745 0.459 0.359 0.792 0.458 CB 1.278 24 residues pruned to eliminate duplicates Z: 6 9.703 1.715 0.474 0.820 1.000 0.800 CA 1.300 7 residues pruned to eliminate duplicates Z: 11 12.382 1.673 0.363 0.756 1.000 0.500 CA 1.367 9 residues pruned to eliminate duplicates Z: 7 8.395 1.794 0.407 0.809 0.833 0.500 CA 1.244 7 residues pruned to eliminate duplicates Z: 30 13.937 1.707 0.494 0.426 0.897 0.448 CB 1.222 25 residues pruned to eliminate duplicates Z: 9 5.740 1.616 0.510 0.636 0.750 0.250 CB 0.976 9 residues pruned to eliminate duplicates Z: 38 14.646 1.798 0.489 0.435 0.838 0.486 CB 1.148 53 residues pruned to eliminate duplicates Z: 6 6.299 1.725 0.865 0.306 0.800 0.600 CA 1.359 6 residues pruned to eliminate duplicates Z: 25 10.490 1.737 0.331 0.413 0.833 0.417 CB 1.217 25 residues pruned to eliminate duplicates Z: 27 12.842 1.718 0.373 0.355 0.885 0.500 N 1.413 27 residues pruned to eliminate duplicates Z: 10 5.462 1.709 0.442 0.399 0.778 0.444 CB 1.056 10 residues pruned to eliminate duplicates Z: 8 8.171 1.693 0.490 0.574 0.857 0.571 CB 1.330 9 residues pruned to eliminate duplicates Z: 6 5.235 1.538 0.323 0.783 0.800 0.800 N 1.121 6 residues pruned to eliminate duplicates Z: 10 6.895 1.655 0.412 0.445 0.889 0.667 CB 1.171 8 residues pruned to eliminate duplicates Z: 7 6.385 1.547 0.122 0.838 1.000 0.667 N 1.122 7 residues pruned to eliminate duplicates Z: 14 6.907 1.658 0.448 0.415 0.846 0.615 CB 1.030 14 residues pruned to eliminate duplicates Z: 24 7.407 1.655 0.368 0.296 0.739 0.522 CB 1.159 24 residues pruned to eliminate duplicates Z: 13 3.380 1.676 0.297 0.297 0.750 0.500 CB 0.751 13 residues pruned to eliminate duplicates Z: 17 8.883 1.780 0.397 0.494 0.875 0.562 CB 1.027 17 residues pruned to eliminate duplicates Z: 15 4.854 1.642 0.191 0.284 0.857 0.571 CB 0.987 15 residues pruned to eliminate duplicates Z: 11 5.061 1.633 0.041 0.383 1.000 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 8 6.600 1.809 0.123 0.512 1.000 0.857 CB 1.214 8 residues pruned to eliminate duplicates Z: 10 7.764 1.801 0.137 0.488 1.000 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 25 10.318 1.777 0.434 0.396 0.792 0.542 CB 1.165 25 residues pruned to eliminate duplicates Z: 22 13.345 1.815 0.487 0.440 0.857 0.571 CB 1.339 22 residues pruned to eliminate duplicates Z: 16 9.116 1.703 0.299 0.423 0.867 0.533 CB 1.330 16 residues pruned to eliminate duplicates Z: 15 7.460 1.699 0.367 0.432 0.714 0.357 N 1.289 15 residues pruned to eliminate duplicates Z: 27 10.439 1.756 0.437 0.332 0.769 0.500 CB 1.268 27 residues pruned to eliminate duplicates Z: 16 11.171 1.828 0.532 0.418 0.800 0.667 CB 1.402 16 residues pruned to eliminate duplicates Z: 6 3.626 1.670 0.243 0.619 0.800 0.400 CB 0.872 6 residues pruned to eliminate duplicates Z: 15 8.192 1.838 0.363 0.433 0.786 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 7 4.320 1.655 0.425 0.345 0.667 0.667 CB 1.328 7 residues pruned to eliminate duplicates Z: 14 7.931 1.836 0.698 0.385 0.692 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 15 10.019 1.821 0.612 0.378 0.857 0.643 CB 1.211 14 residues pruned to eliminate duplicates Z: 7 4.931 1.520 0.473 0.480 1.000 0.500 CA 0.917 7 residues pruned to eliminate duplicates Z: 19 12.920 1.768 0.682 0.519 0.889 0.667 CB 1.130 19 residues pruned to eliminate duplicates Z: 17 13.022 1.826 0.641 0.425 0.875 0.688 CB 1.342 17 residues pruned to eliminate duplicates Z: 18 9.302 1.749 0.502 0.401 0.824 0.529 CB 1.157 18 residues pruned to eliminate duplicates Z: 18 12.434 1.733 0.625 0.446 0.941 0.529 CB 1.203 18 residues pruned to eliminate duplicates 826 residues left after pruning, divided into chains as follows: A: 6 B: 15 C: 7 D: 6 E: 9 F: 6 G: 6 H: 7 I: 8 J: 8 K: 7 L: 28 M: 10 N: 47 O: 26 P: 16 Q: 7 R: 32 S: 12 T: 12 U: 9 V: 45 W: 20 X: 37 Y: 14 Z: 66 Z: 9 Z: 11 Z: 158 Z: 92 Z: 19 Z: 25 Z: 36 Z: 10 CC for partial structure against native data = 31.20 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.454, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.516, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.599, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.603, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.608, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.610, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.613, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.614, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.614, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.614, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4772 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1127 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 12.958 2.001 0.405 0.782 1.000 0.667 CB 1.198 B: 13 17.131 1.859 0.547 0.853 0.917 0.750 CB 1.386 C: 15 17.321 1.820 0.531 0.806 0.929 0.500 CB 1.369 13 residues pruned to eliminate duplicates D: 15 28.948 1.995 0.602 0.939 1.000 1.000 CB 1.682 E: 8 12.935 2.057 0.321 0.823 1.000 0.857 CB 1.360 9 residues pruned to eliminate duplicates F: 9 11.047 1.938 0.505 0.692 0.875 0.625 CA 1.285 G: 15 29.991 1.963 0.770 0.939 1.000 0.714 CB 1.603 15 residues pruned to eliminate duplicates H: 13 20.417 1.986 0.751 0.849 1.000 0.750 CB 1.256 14 residues pruned to eliminate duplicates I: 18 23.993 1.757 0.637 0.868 1.000 0.706 CB 1.479 18 residues pruned to eliminate duplicates J: 11 11.544 1.817 0.427 0.765 1.000 0.700 CB 1.113 K: 11 17.728 1.978 1.178 0.761 0.800 0.600 CA 1.289 9 residues pruned to eliminate duplicates L: 16 10.057 1.837 0.637 0.316 0.800 0.400 CB 1.323 M: 21 21.178 1.999 0.501 0.715 0.900 0.850 CA 1.443 N: 11 11.235 1.943 0.156 0.806 1.000 0.600 CB 1.211 11 residues pruned to eliminate duplicates O: 7 11.469 1.813 0.532 0.827 1.000 0.667 CB 1.270 P: 9 22.831 2.070 0.680 0.789 1.000 0.750 CB 1.801 11 residues pruned to eliminate duplicates Q: 19 26.563 2.057 0.562 0.837 1.000 0.611 CB 1.458 17 residues pruned to eliminate duplicates R: 16 16.035 1.719 0.555 0.884 0.933 0.600 CB 1.200 16 residues pruned to eliminate duplicates S: 20 23.179 1.864 0.661 0.763 0.947 0.579 CA 1.436 T: 18 27.753 2.098 0.646 0.815 0.941 0.824 CB 1.575 18 residues pruned to eliminate duplicates U: 17 22.197 2.095 0.483 0.801 0.938 0.688 CB 1.465 17 residues pruned to eliminate duplicates V: 17 32.872 2.125 0.720 0.832 1.000 0.750 CA 1.688 19 residues pruned to eliminate duplicates W: 11 18.564 1.922 1.032 0.743 0.900 0.500 CA 1.343 11 residues pruned to eliminate duplicates X: 10 12.514 1.992 0.297 0.798 1.000 0.667 CB 1.243 9 residues pruned to eliminate duplicates Y: 7 8.184 1.833 0.666 0.823 0.833 0.667 CB 0.992 7 residues pruned to eliminate duplicates Z: 15 15.653 1.818 0.582 0.825 0.929 0.786 CB 1.182 15 residues pruned to eliminate duplicates Z: 14 17.177 1.854 0.605 0.893 0.923 0.923 CB 1.245 14 residues pruned to eliminate duplicates Z: 7 4.655 1.669 0.340 0.326 1.000 0.667 CB 1.029 Z: 14 23.832 1.960 0.609 0.913 1.000 0.923 CB 1.484 Z: 11 5.472 1.623 0.410 0.327 0.900 0.600 CB 1.015 8 residues pruned to eliminate duplicates Z: 14 30.855 2.129 0.946 0.869 1.000 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 7 9.324 1.933 0.836 0.854 1.000 1.000 CB 0.792 Z: 6 5.991 1.850 0.613 0.292 1.000 0.600 CB 1.133 7 residues pruned to eliminate duplicates Z: 14 23.299 2.057 0.738 0.928 0.923 0.923 CB 1.371 Z: 14 19.769 2.002 0.670 0.909 0.923 0.769 CB 1.261 14 residues pruned to eliminate duplicates Z: 14 14.641 1.775 0.555 0.875 0.846 0.615 CB 1.265 14 residues pruned to eliminate duplicates Z: 24 15.103 1.944 0.613 0.442 0.739 0.565 CB 1.443 16 residues pruned to eliminate duplicates Z: 17 19.112 1.856 0.653 0.836 0.812 0.625 CA 1.434 Z: 14 20.686 1.946 0.592 0.907 0.923 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 15 31.276 2.068 1.026 0.917 1.000 0.786 CA 1.408 Z: 14 12.757 1.932 0.757 0.834 0.692 0.385 CB 1.129 14 residues pruned to eliminate duplicates Z: 17 23.732 1.923 0.777 0.889 0.938 0.875 CA 1.334 17 residues pruned to eliminate duplicates Z: 17 21.318 1.803 0.442 0.898 1.000 0.812 CB 1.467 Z: 13 29.144 2.071 0.676 0.930 1.000 0.833 CA 1.695 13 residues pruned to eliminate duplicates Z: 15 30.379 2.019 0.800 0.913 1.000 0.714 CB 1.581 14 residues pruned to eliminate duplicates Z: 31 16.501 1.797 0.420 0.433 0.867 0.600 CB 1.460 17 residues pruned to eliminate duplicates Z: 9 8.475 1.567 0.291 0.860 1.000 0.750 CB 1.089 Z: 15 23.774 1.943 0.403 0.898 1.000 1.000 CA 1.667 15 residues pruned to eliminate duplicates Z: 20 17.251 1.859 0.441 0.821 0.895 0.737 CB 1.250 20 residues pruned to eliminate duplicates Z: 16 22.130 1.884 0.612 0.905 0.867 0.867 CB 1.544 16 residues pruned to eliminate duplicates Z: 15 24.895 1.903 0.613 0.921 1.000 0.929 CB 1.525 30 residues pruned to eliminate duplicates Z: 17 27.032 2.124 0.446 0.856 1.000 0.750 CB 1.622 17 residues pruned to eliminate duplicates Z: 12 13.368 1.593 0.777 0.814 1.000 0.818 CB 1.083 Z: 18 16.680 1.725 0.435 0.852 1.000 0.882 CA 1.208 9 residues pruned to eliminate duplicates Z: 16 21.867 1.923 0.648 0.855 1.000 0.533 CB 1.314 Z: 7 9.106 1.846 0.507 0.804 0.833 0.667 CB 1.230 7 residues pruned to eliminate duplicates Z: 8 9.574 1.921 0.617 0.336 1.000 0.857 CB 1.393 Z: 25 14.751 1.962 0.355 0.366 0.917 0.583 CB 1.428 24 residues pruned to eliminate duplicates Z: 12 6.984 1.627 0.474 0.436 0.818 0.455 CB 1.146 Z: 18 25.875 2.027 0.591 0.781 0.941 0.824 CB 1.614 18 residues pruned to eliminate duplicates Z: 14 19.073 1.933 0.250 0.931 1.000 1.000 CA 1.530 14 residues pruned to eliminate duplicates Z: 16 25.984 1.848 0.605 0.921 1.000 0.867 CB 1.592 15 residues pruned to eliminate duplicates Z: 17 25.271 1.800 0.771 0.828 0.938 0.812 N 1.592 17 residues pruned to eliminate duplicates Z: 12 8.363 1.903 0.513 0.369 0.818 0.455 CB 1.231 4 residues pruned to eliminate duplicates Z: 16 17.097 1.848 0.388 0.903 1.000 0.800 CA 1.227 16 residues pruned to eliminate duplicates Z: 14 10.328 1.680 0.563 0.883 0.769 0.462 CB 1.026 14 residues pruned to eliminate duplicates Z: 15 22.905 1.963 0.377 0.922 1.000 1.000 CA 1.593 15 residues pruned to eliminate duplicates Z: 6 13.264 1.846 0.717 0.875 1.000 0.800 CA 1.361 6 residues pruned to eliminate duplicates Z: 12 17.805 1.874 0.730 0.837 1.000 0.818 CB 1.239 Z: 15 25.817 2.057 0.616 0.914 1.000 0.786 CA 1.468 15 residues pruned to eliminate duplicates Z: 16 22.292 1.935 0.712 0.842 1.000 0.667 CA 1.295 16 residues pruned to eliminate duplicates Z: 14 17.867 1.952 0.482 0.844 1.000 0.846 CB 1.275 14 residues pruned to eliminate duplicates Z: 14 23.096 1.851 0.834 0.862 1.000 0.692 CB 1.385 Z: 9 7.586 1.991 0.506 0.492 0.875 0.625 CB 1.031 Z: 19 17.629 1.636 0.646 0.881 1.000 0.611 CB 1.118 19 residues pruned to eliminate duplicates Z: 20 19.752 1.864 0.560 0.739 0.895 0.632 CA 1.405 20 residues pruned to eliminate duplicates Z: 17 18.757 1.791 0.547 0.924 0.938 0.812 CB 1.268 14 residues pruned to eliminate duplicates Z: 12 32.700 2.242 0.953 0.915 1.000 0.818 CB 1.592 12 residues pruned to eliminate duplicates Z: 11 19.562 1.986 0.615 0.795 1.000 0.800 CA 1.489 11 residues pruned to eliminate duplicates Z: 16 17.033 1.817 0.381 0.880 1.000 0.867 CB 1.270 16 residues pruned to eliminate duplicates Z: 10 9.141 1.894 0.181 0.826 0.889 0.889 CA 1.156 Z: 11 10.668 1.906 0.251 0.619 0.900 0.700 CB 1.405 Z: 16 30.578 1.905 0.795 0.918 1.000 0.733 CA 1.628 16 residues pruned to eliminate duplicates Z: 13 19.760 1.992 0.713 0.933 0.917 0.917 CA 1.272 14 residues pruned to eliminate duplicates Z: 8 12.574 2.030 0.334 0.883 1.000 1.000 CB 1.269 8 residues pruned to eliminate duplicates Z: 16 12.230 1.886 0.365 0.694 0.933 0.600 CB 1.102 16 residues pruned to eliminate duplicates Z: 17 28.458 1.876 0.658 0.908 1.000 0.875 CB 1.624 16 residues pruned to eliminate duplicates Z: 10 6.289 1.970 0.524 0.294 0.778 0.667 CB 1.130 Z: 32 23.117 1.837 0.710 0.580 0.903 0.710 CA 1.355 Z: 21 11.246 1.734 0.551 0.460 0.750 0.550 CB 1.298 21 residues pruned to eliminate duplicates Z: 16 23.167 2.036 0.534 0.898 1.000 0.800 CA 1.370 16 residues pruned to eliminate duplicates Z: 19 10.800 1.716 0.713 0.542 0.778 0.556 CB 1.069 8 residues pruned to eliminate duplicates Z: 10 10.710 1.938 0.490 0.688 0.889 0.667 CB 1.170 12 residues pruned to eliminate duplicates Z: 12 14.341 1.873 0.430 0.816 0.909 0.818 CB 1.349 12 residues pruned to eliminate duplicates Z: 8 8.683 2.019 0.012 0.785 0.857 0.857 CB 1.458 7 residues pruned to eliminate duplicates Z: 16 20.707 1.895 0.358 0.882 1.000 0.800 CB 1.502 16 residues pruned to eliminate duplicates Z: 12 12.375 1.856 0.498 0.772 0.818 0.818 CB 1.289 12 residues pruned to eliminate duplicates Z: 8 11.866 1.734 0.339 0.884 1.000 1.000 CA 1.396 Z: 40 23.560 1.894 0.546 0.536 0.949 0.538 CB 1.311 20 residues pruned to eliminate duplicates Z: 14 21.824 2.073 0.570 0.886 0.923 0.846 CA 1.454 14 residues pruned to eliminate duplicates Z: 13 22.555 1.972 0.621 0.861 1.000 0.750 CB 1.497 14 residues pruned to eliminate duplicates Z: 27 12.406 1.932 0.270 0.402 0.846 0.615 CB 1.299 27 residues pruned to eliminate duplicates Z: 17 23.789 1.869 0.389 0.902 1.000 0.938 CA 1.634 17 residues pruned to eliminate duplicates Z: 15 23.932 2.048 0.684 0.886 0.929 0.786 CA 1.442 15 residues pruned to eliminate duplicates Z: 15 19.179 1.883 0.684 0.883 0.929 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 16.495 1.866 0.570 0.843 0.929 0.857 CA 1.207 18 residues pruned to eliminate duplicates Z: 12 14.874 1.743 0.611 0.842 1.000 0.545 CB 1.190 11 residues pruned to eliminate duplicates Z: 15 22.156 1.885 0.648 0.911 1.000 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 18 10.438 1.775 0.504 0.422 0.882 0.471 CB 1.165 18 residues pruned to eliminate duplicates Z: 14 17.334 1.820 0.499 0.821 1.000 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 17 22.428 1.967 0.613 0.915 0.938 0.875 CA 1.332 17 residues pruned to eliminate duplicates Z: 6 9.184 1.869 0.196 0.789 1.000 0.800 CA 1.426 6 residues pruned to eliminate duplicates Z: 13 15.576 1.616 0.937 0.866 1.000 0.833 CB 1.052 12 residues pruned to eliminate duplicates Z: 20 21.404 1.911 0.518 0.772 0.947 0.789 CB 1.404 20 residues pruned to eliminate duplicates Z: 24 13.191 1.746 0.573 0.466 0.913 0.739 CB 1.135 Z: 8 13.636 2.149 0.246 0.730 1.000 0.571 CB 1.565 8 residues pruned to eliminate duplicates Z: 12 25.448 1.999 0.732 0.906 1.000 0.909 CB 1.576 12 residues pruned to eliminate duplicates Z: 20 18.367 1.921 0.513 0.722 0.895 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 12 13.329 1.613 0.593 0.858 1.000 0.909 CB 1.152 12 residues pruned to eliminate duplicates Z: 16 20.338 1.887 0.584 0.898 0.933 0.867 CA 1.347 16 residues pruned to eliminate duplicates Z: 21 20.857 1.886 0.485 0.770 0.950 0.700 CB 1.381 21 residues pruned to eliminate duplicates Z: 6 6.201 1.667 0.552 0.674 0.800 0.600 CB 1.142 Z: 32 16.626 1.925 0.534 0.425 0.871 0.548 CB 1.255 13 residues pruned to eliminate duplicates Z: 11 15.237 1.942 0.698 0.747 0.900 0.700 CA 1.302 11 residues pruned to eliminate duplicates Z: 14 10.240 1.829 0.627 0.370 0.846 0.308 CA 1.296 13 residues pruned to eliminate duplicates Z: 7 13.827 1.985 0.640 0.882 1.000 1.000 CA 1.254 6 residues pruned to eliminate duplicates Z: 16 8.467 1.899 0.629 0.392 0.867 0.667 CB 0.914 10 residues pruned to eliminate duplicates Z: 15 17.662 1.841 0.691 0.842 0.857 0.429 CB 1.318 14 residues pruned to eliminate duplicates Z: 16 18.004 1.832 0.581 0.911 1.000 0.867 CA 1.137 16 residues pruned to eliminate duplicates Z: 6 3.849 1.495 0.545 0.587 0.600 0.400 CB 1.143 6 residues pruned to eliminate duplicates Z: 17 20.860 1.822 0.666 0.872 0.938 0.688 CA 1.336 17 residues pruned to eliminate duplicates Z: 17 18.179 1.776 0.785 0.718 0.875 0.562 CB 1.346 17 residues pruned to eliminate duplicates Z: 10 15.299 1.934 0.547 0.848 0.889 0.778 CB 1.422 10 residues pruned to eliminate duplicates Z: 16 17.050 1.867 0.536 0.864 0.933 0.867 CB 1.206 16 residues pruned to eliminate duplicates Z: 30 18.501 1.975 0.336 0.561 0.897 0.586 CB 1.368 29 residues pruned to eliminate duplicates Z: 14 27.195 1.997 0.953 0.904 1.000 0.846 CA 1.378 30 residues pruned to eliminate duplicates Z: 30 21.741 2.051 0.457 0.510 0.897 0.517 CB 1.492 22 residues pruned to eliminate duplicates Z: 16 16.603 1.798 0.428 0.852 1.000 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 17 17.577 1.792 0.771 0.737 0.812 0.688 CA 1.377 17 residues pruned to eliminate duplicates Z: 19 20.923 1.801 0.819 0.824 0.833 0.778 CB 1.365 29 residues pruned to eliminate duplicates Z: 15 26.136 1.956 0.619 0.901 1.000 0.857 CB 1.574 15 residues pruned to eliminate duplicates Z: 14 20.755 1.995 0.523 0.902 1.000 0.769 CA 1.351 15 residues pruned to eliminate duplicates Z: 17 21.532 1.804 0.849 0.772 1.000 0.625 CB 1.268 17 residues pruned to eliminate duplicates Z: 9 11.910 1.962 0.672 0.808 0.875 0.625 CB 1.122 9 residues pruned to eliminate duplicates Z: 13 15.813 1.819 0.484 0.812 1.000 0.750 CB 1.289 12 residues pruned to eliminate duplicates Z: 6 14.355 1.886 0.924 0.871 1.000 0.800 CA 1.290 6 residues pruned to eliminate duplicates Z: 43 22.215 1.938 0.528 0.416 0.833 0.595 CB 1.516 31 residues pruned to eliminate duplicates Z: 20 23.431 1.992 0.587 0.758 0.947 0.684 CB 1.427 16 residues pruned to eliminate duplicates Z: 24 20.801 1.913 0.507 0.627 0.957 0.739 CB 1.397 28 residues pruned to eliminate duplicates Z: 7 4.531 1.607 0.378 0.524 0.833 0.500 CB 0.980 Z: 14 15.790 1.943 0.405 0.831 1.000 0.769 CA 1.205 10 residues pruned to eliminate duplicates Z: 26 14.998 1.939 0.254 0.489 0.840 0.400 CB 1.484 26 residues pruned to eliminate duplicates Z: 16 15.907 1.781 0.508 0.722 0.867 0.733 CB 1.444 16 residues pruned to eliminate duplicates Z: 23 8.951 1.791 0.361 0.252 0.773 0.318 CB 1.348 23 residues pruned to eliminate duplicates Z: 20 21.556 1.891 0.742 0.730 0.895 0.579 CB 1.365 20 residues pruned to eliminate duplicates Z: 13 10.877 1.983 0.451 0.425 0.917 0.583 CB 1.287 9 residues pruned to eliminate duplicates Z: 18 16.024 2.013 0.749 0.480 0.882 0.294 CA 1.277 18 residues pruned to eliminate duplicates Z: 16 24.554 1.887 0.549 0.925 1.000 0.867 CB 1.523 16 residues pruned to eliminate duplicates Z: 32 13.864 1.939 0.285 0.406 0.774 0.452 CB 1.425 32 residues pruned to eliminate duplicates Z: 6 6.451 1.408 1.056 0.793 1.000 0.600 N 0.771 6 residues pruned to eliminate duplicates Z: 17 20.306 1.820 0.502 0.879 1.000 0.750 CB 1.347 17 residues pruned to eliminate duplicates Z: 6 5.713 1.758 0.874 0.579 0.600 0.600 N 1.198 Z: 18 10.237 1.657 0.476 0.414 0.824 0.529 N 1.349 22 residues pruned to eliminate duplicates Z: 7 5.276 1.874 0.331 0.482 0.833 0.333 CB 1.056 7 residues pruned to eliminate duplicates Z: 10 14.168 1.961 0.275 0.897 1.000 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 16 20.772 1.883 0.660 0.881 1.000 0.533 CB 1.242 16 residues pruned to eliminate duplicates Z: 16 11.509 1.670 0.555 0.712 0.933 0.467 CB 1.011 16 residues pruned to eliminate duplicates Z: 7 9.534 1.782 0.780 0.735 0.833 0.833 CA 1.192 7 residues pruned to eliminate duplicates Z: 8 5.969 1.504 0.595 0.606 0.857 0.714 CB 0.992 Z: 6 8.187 1.609 0.826 0.563 0.800 0.400 CA 1.465 Z: 17 18.704 1.900 0.490 0.900 0.938 0.812 CB 1.258 17 residues pruned to eliminate duplicates Z: 19 10.263 1.842 0.463 0.401 0.833 0.556 CB 1.196 Z: 11 7.573 1.715 0.778 0.434 0.800 0.700 CB 1.051 14 residues pruned to eliminate duplicates Z: 15 18.085 1.904 0.387 0.916 1.000 0.929 CA 1.293 15 residues pruned to eliminate duplicates Z: 9 11.186 1.786 0.859 0.877 0.750 0.750 CA 1.153 9 residues pruned to eliminate duplicates Z: 14 21.482 2.013 0.982 0.852 0.846 0.769 CB 1.306 14 residues pruned to eliminate duplicates Z: 28 16.383 1.901 0.487 0.461 0.852 0.556 CB 1.363 28 residues pruned to eliminate duplicates Z: 12 6.630 1.584 0.106 0.640 0.909 0.545 CB 1.101 Z: 17 19.930 1.829 0.416 0.921 1.000 0.938 CB 1.354 17 residues pruned to eliminate duplicates 6 1.943 1.323 0.265 0.380 0.600 0.400 N 0.984 ? Z: 6 5.498 1.579 0.371 0.685 0.800 0.400 N 1.198 6 residues pruned to eliminate duplicates Z: 8 5.944 1.575 0.409 0.515 0.857 0.429 CB 1.164 Z: 7 8.174 1.423 0.369 0.875 1.000 1.000 O 1.246 Z: 19 20.789 2.081 0.269 0.826 0.889 0.722 CA 1.574 19 residues pruned to eliminate duplicates Z: 16 21.483 1.859 0.559 0.773 1.000 0.733 N 1.504 16 residues pruned to eliminate duplicates Z: 6 11.770 1.824 0.834 0.872 1.000 0.600 CB 1.147 6 residues pruned to eliminate duplicates Z: 61 24.549 1.848 0.438 0.510 0.933 0.400 CB 1.265 50 residues pruned to eliminate duplicates Z: 15 21.399 2.033 0.475 0.881 1.000 1.000 CA 1.381 15 residues pruned to eliminate duplicates Z: 9 8.118 1.631 1.036 0.837 0.875 0.625 CB 0.739 9 residues pruned to eliminate duplicates Z: 17 24.317 1.962 0.746 0.886 0.938 0.688 CA 1.366 17 residues pruned to eliminate duplicates Z: 8 9.357 1.844 0.142 0.830 1.000 0.714 CB 1.262 8 residues pruned to eliminate duplicates Z: 14 14.380 1.803 0.865 0.847 0.692 0.615 CA 1.272 14 residues pruned to eliminate duplicates Z: 9 10.770 1.778 0.369 0.880 1.000 0.875 CB 1.134 Z: 8 3.872 1.595 0.408 0.337 0.571 0.429 N 1.363 8 residues pruned to eliminate duplicates Z: 7 4.974 1.549 0.470 0.441 0.833 0.500 N 1.137 Z: 16 28.028 1.949 0.894 0.921 1.000 0.733 CB 1.379 16 residues pruned to eliminate duplicates Z: 7 3.761 1.695 0.168 0.404 0.667 0.500 CB 1.286 7 residues pruned to eliminate duplicates Z: 14 15.247 1.810 0.565 0.787 0.846 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 14 20.098 1.956 0.440 0.893 1.000 0.692 CA 1.420 14 residues pruned to eliminate duplicates Z: 7 7.564 1.501 0.259 0.862 1.000 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 15 17.593 1.804 0.391 0.903 1.000 0.786 CB 1.336 14 residues pruned to eliminate duplicates Z: 18 20.148 1.817 0.620 0.829 0.882 0.529 CA 1.416 18 residues pruned to eliminate duplicates Z: 12 14.806 1.833 0.252 0.850 1.000 0.818 CA 1.440 12 residues pruned to eliminate duplicates Z: 16 20.015 1.864 0.658 0.894 0.933 0.867 CB 1.285 16 residues pruned to eliminate duplicates Z: 6 5.844 1.874 0.052 0.801 1.000 0.800 CB 1.019 Z: 7 4.360 1.787 -0.086 0.526 0.833 0.667 C 1.274 Z: 10 9.879 1.904 0.547 0.500 0.778 0.333 CB 1.437 8 residues pruned to eliminate duplicates Z: 13 10.952 1.662 0.735 0.814 1.000 0.417 CB 0.834 Z: 14 27.425 2.009 0.742 0.911 1.000 0.846 CA 1.540 14 residues pruned to eliminate duplicates Z: 15 25.489 2.034 0.854 0.899 0.929 0.714 CB 1.390 15 residues pruned to eliminate duplicates Z: 19 27.029 2.025 0.625 0.786 0.944 0.722 CB 1.595 19 residues pruned to eliminate duplicates Z: 6 7.590 1.711 1.012 0.520 0.800 0.600 CB 1.209 Z: 14 19.940 1.857 0.451 0.921 1.000 0.923 CA 1.445 14 residues pruned to eliminate duplicates Z: 7 2.449 1.578 0.286 0.361 0.667 0.500 CB 0.858 Z: 10 4.327 1.711 0.141 0.262 1.000 0.333 CB 0.969 10 residues pruned to eliminate duplicates Z: 7 4.632 1.645 -0.022 0.491 1.000 0.667 CB 1.187 Z: 8 7.089 1.358 0.756 0.794 1.000 0.571 CB 0.868 8 residues pruned to eliminate duplicates Z: 15 22.411 2.018 0.395 0.911 1.000 0.857 CA 1.507 15 residues pruned to eliminate duplicates Z: 11 9.857 1.779 0.329 0.555 0.900 0.800 N 1.390 Z: 15 21.122 1.883 0.866 0.931 0.929 0.929 CB 1.209 15 residues pruned to eliminate duplicates Z: 16 21.089 1.919 0.478 0.876 1.000 0.800 N 1.395 16 residues pruned to eliminate duplicates Z: 7 8.408 1.942 0.103 0.586 1.000 0.667 CB 1.476 7 residues pruned to eliminate duplicates Z: 41 18.988 1.920 0.436 0.392 0.825 0.500 CB 1.481 41 residues pruned to eliminate duplicates Z: 12 3.537 1.634 0.178 0.411 0.636 0.273 CB 0.955 6 1.266 1.492 0.250 0.298 0.400 0.400 N 0.951 ? Z: 26 18.746 1.828 0.613 0.614 0.800 0.560 CB 1.427 26 residues pruned to eliminate duplicates Z: 13 20.690 1.970 0.531 0.913 1.000 0.750 N 1.401 13 residues pruned to eliminate duplicates Z: 12 12.071 1.829 0.691 0.570 0.909 0.818 CB 1.210 12 residues pruned to eliminate duplicates Z: 7 4.992 1.547 0.647 0.669 0.667 0.667 CA 1.026 Z: 13 14.939 1.794 0.421 0.856 0.917 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 13 14.604 1.795 0.500 0.843 0.917 0.917 CB 1.272 13 residues pruned to eliminate duplicates Z: 14 11.365 1.774 0.526 0.751 0.769 0.615 CB 1.211 14 residues pruned to eliminate duplicates Z: 16 9.823 1.807 0.355 0.396 0.867 0.667 CB 1.334 5 residues pruned to eliminate duplicates Z: 18 22.597 1.803 1.010 0.827 0.882 0.765 CB 1.292 18 residues pruned to eliminate duplicates Z: 14 21.990 2.038 0.937 0.891 0.846 0.462 CB 1.313 14 residues pruned to eliminate duplicates Z: 18 23.253 1.772 0.694 0.841 0.941 0.765 CB 1.490 18 residues pruned to eliminate duplicates Z: 12 9.366 1.705 0.533 0.500 0.818 0.455 CB 1.320 7 residues pruned to eliminate duplicates Z: 7 4.703 1.568 0.664 0.297 0.833 0.500 O 1.108 6 residues pruned to eliminate duplicates Z: 21 22.644 1.814 0.558 0.835 0.950 0.850 CA 1.413 21 residues pruned to eliminate duplicates Z: 9 9.436 1.591 0.796 0.667 1.000 0.625 CA 1.000 Z: 38 19.094 1.906 0.473 0.381 0.865 0.514 CB 1.468 38 residues pruned to eliminate duplicates Z: 10 6.176 1.777 0.418 0.256 0.889 0.333 CB 1.216 7 residues pruned to eliminate duplicates Z: 27 15.154 1.857 0.493 0.384 0.885 0.615 CB 1.371 26 residues pruned to eliminate duplicates Z: 12 17.076 1.720 0.643 0.856 1.000 0.818 CB 1.344 12 residues pruned to eliminate duplicates Z: 12 12.818 1.771 0.355 0.869 1.000 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 9 15.149 1.998 0.377 0.852 1.000 0.750 CB 1.439 9 residues pruned to eliminate duplicates Z: 7 7.387 1.658 0.563 0.864 1.000 0.833 CB 0.853 Z: 15 25.356 1.916 0.675 0.918 1.000 0.571 CB 1.488 15 residues pruned to eliminate duplicates Z: 13 10.586 1.961 0.128 0.760 0.917 0.833 CA 1.197 13 residues pruned to eliminate duplicates Z: 20 8.844 1.886 0.435 0.358 0.842 0.526 CB 1.037 6 residues pruned to eliminate duplicates Z: 6 11.605 1.794 0.900 0.864 1.000 0.800 CB 1.116 Z: 6 4.295 1.466 0.672 0.294 0.800 0.400 O 1.233 Z: 6 4.461 1.831 0.457 0.461 0.800 0.400 CB 0.972 6 residues pruned to eliminate duplicates Z: 25 13.882 1.793 0.399 0.426 0.833 0.458 CB 1.464 25 residues pruned to eliminate duplicates Z: 13 11.621 1.613 0.631 0.692 1.000 0.417 CB 1.070 12 residues pruned to eliminate duplicates Z: 7 7.908 1.714 0.127 0.885 1.000 1.000 CB 1.208 Z: 9 5.646 1.815 0.506 0.274 0.750 0.750 CB 1.258 9 residues pruned to eliminate duplicates Z: 12 5.008 1.499 0.395 0.323 0.818 0.364 CB 1.072 Z: 14 20.572 2.066 0.271 0.942 1.000 1.000 CA 1.506 14 residues pruned to eliminate duplicates Z: 16 4.053 1.525 0.056 0.455 0.867 0.400 CB 0.785 Z: 18 11.453 1.773 0.768 0.303 0.824 0.529 CB 1.340 Z: 12 8.410 1.721 0.238 0.789 0.909 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 8 11.516 2.128 0.408 0.772 0.714 0.571 CB 1.598 8 residues pruned to eliminate duplicates Z: 12 13.522 1.609 0.596 0.896 1.000 0.818 CB 1.137 12 residues pruned to eliminate duplicates Z: 7 9.152 1.756 0.897 0.748 0.833 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 10 8.390 1.647 0.123 0.835 1.000 0.778 CB 1.133 10 residues pruned to eliminate duplicates Z: 21 9.317 1.917 0.257 0.340 0.700 0.450 CB 1.471 20 residues pruned to eliminate duplicates Z: 18 16.984 1.710 0.638 0.822 1.000 0.353 CB 1.113 18 residues pruned to eliminate duplicates Z: 10 10.899 1.751 0.338 0.853 1.000 0.889 CB 1.146 10 residues pruned to eliminate duplicates Z: 18 20.478 1.752 0.828 0.917 1.000 0.941 CA 1.094 18 residues pruned to eliminate duplicates Z: 38 21.990 2.007 0.297 0.579 0.865 0.595 CB 1.488 31 residues pruned to eliminate duplicates Z: 22 9.442 1.801 0.277 0.375 0.714 0.476 N 1.434 22 residues pruned to eliminate duplicates Z: 7 12.298 1.677 0.872 0.714 1.000 0.667 CA 1.317 7 residues pruned to eliminate duplicates Z: 14 19.204 1.943 0.412 0.929 1.000 0.846 CB 1.359 14 residues pruned to eliminate duplicates Z: 14 12.223 1.773 0.151 0.881 1.000 0.846 CB 1.203 14 residues pruned to eliminate duplicates Z: 10 5.651 1.671 -0.120 0.840 0.889 0.778 CB 1.076 10 residues pruned to eliminate duplicates Z: 14 18.978 2.012 0.499 0.897 0.923 0.769 CB 1.354 14 residues pruned to eliminate duplicates Z: 10 10.729 1.885 0.347 0.708 0.778 0.667 CB 1.499 10 residues pruned to eliminate duplicates Z: 20 14.228 1.857 0.579 0.581 0.842 0.526 CB 1.222 20 residues pruned to eliminate duplicates Z: 29 12.996 1.715 0.490 0.457 0.893 0.571 CB 1.125 20 residues pruned to eliminate duplicates Z: 7 8.050 1.866 0.032 0.704 1.000 0.833 CB 1.417 7 residues pruned to eliminate duplicates Z: 8 3.195 1.525 0.663 0.344 0.714 0.286 CB 0.790 Z: 6 10.032 1.756 0.422 0.815 1.000 1.000 CB 1.367 Z: 15 16.373 1.851 0.625 0.883 0.929 0.786 CB 1.133 17 residues pruned to eliminate duplicates Z: 65 29.310 1.952 0.612 0.466 0.891 0.516 CB 1.354 65 residues pruned to eliminate duplicates Z: 16 24.604 1.889 0.689 0.909 0.933 0.733 CB 1.513 16 residues pruned to eliminate duplicates Z: 30 25.676 2.042 0.494 0.620 0.966 0.552 CB 1.445 31 residues pruned to eliminate duplicates Z: 13 13.148 1.619 0.493 0.859 1.000 0.833 CA 1.156 Z: 12 12.232 1.623 0.635 0.843 0.818 0.727 CA 1.265 12 residues pruned to eliminate duplicates Z: 16 5.971 1.930 0.044 0.401 0.867 0.333 CB 0.980 16 residues pruned to eliminate duplicates Z: 13 9.782 2.041 0.326 0.417 0.917 0.750 CB 1.242 12 residues pruned to eliminate duplicates Z: 6 5.100 1.728 0.222 0.411 0.800 0.800 O 1.482 Z: 7 2.728 1.469 -0.020 0.493 0.833 0.500 N 0.935 10 1.669 1.357 0.129 0.262 0.889 0.333 CB 0.537 ? Z: 11 10.055 1.773 0.904 0.713 0.900 0.800 CB 0.862 11 residues pruned to eliminate duplicates Z: 8 3.934 1.833 0.621 0.203 0.571 0.286 CB 1.245 8 residues pruned to eliminate duplicates Z: 36 10.470 1.661 0.377 0.356 0.829 0.514 CB 1.091 7 residues pruned to eliminate duplicates Z: 14 12.400 1.908 0.165 0.911 0.923 0.923 CA 1.188 14 residues pruned to eliminate duplicates Z: 7 6.895 1.501 0.524 0.649 1.000 0.667 CB 1.071 11 residues pruned to eliminate duplicates Z: 14 16.128 1.853 0.393 0.815 1.000 0.615 CA 1.317 14 residues pruned to eliminate duplicates Z: 14 18.703 1.962 0.535 0.885 0.923 0.923 CA 1.348 14 residues pruned to eliminate duplicates Z: 7 2.996 1.494 0.161 0.329 0.833 0.500 O 1.021 Z: 8 3.194 1.617 0.306 0.432 0.714 0.429 CB 0.858 Z: 6 6.993 1.591 0.688 0.554 0.800 0.800 CB 1.381 Z: 42 21.704 1.904 0.483 0.437 0.854 0.463 CA 1.501 42 residues pruned to eliminate duplicates Z: 13 8.633 1.633 0.399 0.692 0.833 0.667 CB 1.098 13 residues pruned to eliminate duplicates Z: 13 9.623 1.585 0.462 0.883 0.917 0.750 CB 0.946 13 residues pruned to eliminate duplicates Z: 12 13.292 1.592 0.776 0.818 0.909 0.636 CB 1.183 12 residues pruned to eliminate duplicates Z: 33 17.185 1.745 0.740 0.492 0.906 0.500 CB 1.113 33 residues pruned to eliminate duplicates Z: 15 21.806 1.891 0.781 0.884 0.929 0.929 CA 1.346 15 residues pruned to eliminate duplicates Z: 16 16.594 1.796 0.274 0.874 1.000 1.000 CA 1.364 16 residues pruned to eliminate duplicates Z: 6 8.305 1.669 0.341 0.869 1.000 1.000 CB 1.211 Z: 11 5.645 1.597 0.349 0.296 0.900 0.400 CB 1.156 Z: 7 9.548 1.713 0.343 0.844 1.000 0.833 CB 1.260 7 residues pruned to eliminate duplicates Z: 14 8.314 1.602 0.413 0.657 0.846 0.615 CB 1.040 14 residues pruned to eliminate duplicates Z: 13 18.855 2.035 0.504 0.907 1.000 0.917 CB 1.264 13 residues pruned to eliminate duplicates Z: 7 6.729 1.546 0.560 0.821 0.833 0.500 CB 1.035 7 residues pruned to eliminate duplicates Z: 12 19.308 1.848 0.640 0.826 1.000 0.909 CB 1.448 12 residues pruned to eliminate duplicates Z: 7 12.861 1.841 0.576 0.742 1.000 0.667 CA 1.457 7 residues pruned to eliminate duplicates Z: 8 3.871 1.612 0.308 0.308 0.714 0.571 CA 1.202 Z: 7 5.832 1.857 0.225 0.627 0.667 0.500 CB 1.394 7 residues pruned to eliminate duplicates Z: 16 4.298 1.707 0.184 0.303 0.733 0.267 CB 0.933 23 residues pruned to eliminate duplicates Z: 13 10.066 1.838 0.199 0.534 0.917 0.833 CB 1.391 13 residues pruned to eliminate duplicates Z: 6 5.348 1.784 0.127 0.662 0.800 0.600 CB 1.281 Z: 6 6.117 1.578 0.646 0.764 1.000 0.800 CB 0.833 6 residues pruned to eliminate duplicates Z: 12 4.832 1.651 0.203 0.450 0.818 0.545 CB 0.944 12 residues pruned to eliminate duplicates Z: 11 7.596 1.567 0.112 0.894 1.000 0.800 CB 0.989 11 residues pruned to eliminate duplicates Z: 19 14.180 1.741 0.681 0.524 0.889 0.667 CB 1.255 19 residues pruned to eliminate duplicates Z: 8 8.605 1.795 0.404 0.836 0.857 0.857 CA 1.127 Z: 18 11.338 1.727 0.487 0.439 0.941 0.588 CB 1.211 18 residues pruned to eliminate duplicates Z: 81 31.234 1.934 0.610 0.459 0.863 0.550 CB 1.356 81 residues pruned to eliminate duplicates Z: 27 20.260 1.832 0.700 0.552 0.885 0.615 CB 1.370 27 residues pruned to eliminate duplicates Z: 14 19.060 2.054 0.396 0.902 0.923 0.923 CA 1.424 14 residues pruned to eliminate duplicates Z: 15 10.675 1.843 0.212 0.465 0.929 0.714 CB 1.425 16 residues pruned to eliminate duplicates 6 0.995 1.390 -0.098 0.350 0.600 0.400 CB 0.697 ? Z: 17 18.322 1.819 0.652 0.865 0.875 0.812 CB 1.276 17 residues pruned to eliminate duplicates Z: 32 17.594 1.917 0.379 0.557 0.903 0.581 CB 1.252 32 residues pruned to eliminate duplicates Z: 8 8.990 1.813 0.512 0.539 0.857 0.571 CA 1.391 6 residues pruned to eliminate duplicates Z: 13 15.300 1.919 0.243 0.871 1.000 0.833 CA 1.350 21 residues pruned to eliminate duplicates Z: 7 13.442 1.728 0.722 0.881 1.000 0.833 CA 1.336 6 residues pruned to eliminate duplicates Z: 16 24.236 1.888 0.616 0.889 1.000 0.867 CB 1.477 16 residues pruned to eliminate duplicates Z: 15 16.280 1.849 0.361 0.884 0.929 0.857 CB 1.344 15 residues pruned to eliminate duplicates Z: 6 6.119 1.577 0.345 0.745 0.800 0.800 CB 1.295 Z: 9 9.564 2.018 0.004 0.814 0.875 0.750 CA 1.452 9 residues pruned to eliminate duplicates Z: 12 16.900 1.831 0.321 0.902 1.000 0.909 CB 1.502 12 residues pruned to eliminate duplicates Z: 6 9.271 1.763 0.791 0.845 1.000 1.000 CB 0.976 6 residues pruned to eliminate duplicates Z: 11 18.037 1.866 0.563 0.806 1.000 0.600 CA 1.498 12 residues pruned to eliminate duplicates Z: 9 8.296 1.804 0.668 0.305 0.875 0.625 CB 1.384 9 residues pruned to eliminate duplicates Z: 7 7.166 1.584 0.282 0.615 1.000 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 14 13.107 1.810 0.608 0.834 0.846 0.692 CA 1.106 14 residues pruned to eliminate duplicates Z: 6 4.687 1.489 0.043 0.764 1.000 0.800 N 1.069 6 residues pruned to eliminate duplicates Z: 8 5.135 1.824 0.220 0.349 0.714 0.714 CB 1.438 Z: 13 8.296 1.735 0.457 0.526 0.833 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 15 26.035 2.024 0.659 0.926 1.000 0.643 CA 1.453 15 residues pruned to eliminate duplicates Z: 10 13.685 1.813 0.484 0.882 1.000 0.889 CB 1.227 10 residues pruned to eliminate duplicates Z: 10 5.487 1.826 0.321 0.477 0.667 0.444 CB 1.164 10 residues pruned to eliminate duplicates Z: 8 10.128 1.762 0.825 0.838 0.857 0.571 CB 1.038 7 residues pruned to eliminate duplicates Z: 22 10.502 1.758 0.268 0.389 0.905 0.667 CB 1.278 22 residues pruned to eliminate duplicates Z: 13 17.341 2.035 0.217 0.905 1.000 0.833 CA 1.438 13 residues pruned to eliminate duplicates Z: 16 16.180 1.788 0.301 0.907 1.000 0.933 CA 1.277 16 residues pruned to eliminate duplicates Z: 7 10.953 1.932 0.324 0.891 1.000 1.000 CA 1.256 7 residues pruned to eliminate duplicates Z: 7 7.458 1.768 0.336 0.870 1.000 0.667 CB 0.941 7 residues pruned to eliminate duplicates Z: 14 6.082 1.513 0.762 0.360 0.769 0.462 CB 0.957 Z: 28 17.348 1.958 0.374 0.405 0.926 0.593 CA 1.481 26 residues pruned to eliminate duplicates Z: 6 3.707 1.713 -0.135 0.453 1.000 0.600 CA 1.173 7 residues pruned to eliminate duplicates Z: 7 7.803 1.547 0.423 0.773 1.000 0.833 N 1.137 Z: 8 6.202 1.610 0.355 0.570 0.857 0.714 N 1.172 6 residues pruned to eliminate duplicates Z: 17 9.950 1.774 0.286 0.415 0.938 0.688 CB 1.271 17 residues pruned to eliminate duplicates Z: 7 6.826 2.132 0.643 0.374 0.667 0.500 CB 1.366 11 residues pruned to eliminate duplicates Z: 6 6.621 1.653 0.503 0.663 0.800 0.800 CB 1.281 6 residues pruned to eliminate duplicates Z: 34 14.055 1.796 0.282 0.456 0.909 0.515 CB 1.224 34 residues pruned to eliminate duplicates Z: 6 5.666 1.379 0.381 0.693 1.000 0.600 O 1.115 Z: 8 3.898 1.532 0.211 0.305 0.857 0.571 CA 1.150 Z: 14 19.434 1.922 0.401 0.896 1.000 0.846 CA 1.434 14 residues pruned to eliminate duplicates Z: 8 7.814 1.727 0.352 0.670 1.000 0.857 CA 1.081 7 residues pruned to eliminate duplicates Z: 21 11.582 1.892 0.331 0.350 0.800 0.450 CB 1.512 21 residues pruned to eliminate duplicates Z: 11 9.757 1.687 0.564 0.550 0.800 0.700 CB 1.391 11 residues pruned to eliminate duplicates Z: 15 19.773 1.864 0.707 0.762 0.929 0.786 CB 1.417 15 residues pruned to eliminate duplicates Z: 20 14.390 1.779 0.411 0.586 0.895 0.421 CB 1.353 11 residues pruned to eliminate duplicates Z: 15 21.936 1.868 1.085 0.887 1.000 0.643 CB 1.086 14 residues pruned to eliminate duplicates Z: 17 19.614 1.759 0.711 0.770 1.000 0.688 CA 1.282 16 residues pruned to eliminate duplicates Z: 6 3.469 1.756 0.397 0.496 0.600 0.400 CB 1.058 6 residues pruned to eliminate duplicates Z: 17 21.897 1.824 0.610 0.864 1.000 0.625 CB 1.367 17 residues pruned to eliminate duplicates Z: 14 20.865 1.923 0.866 0.880 0.846 0.538 CB 1.381 14 residues pruned to eliminate duplicates Z: 10 9.260 1.759 0.406 0.796 1.000 0.778 CB 0.962 10 residues pruned to eliminate duplicates Z: 41 20.549 1.894 0.439 0.401 0.875 0.600 CA 1.512 41 residues pruned to eliminate duplicates Z: 7 4.178 1.570 0.166 0.693 0.833 0.667 CB 0.938 Z: 23 12.326 1.816 0.380 0.428 0.818 0.591 CB 1.381 23 residues pruned to eliminate duplicates Z: 10 4.863 1.645 0.320 0.382 0.778 0.778 N 1.089 6 residues pruned to eliminate duplicates Z: 16 20.669 1.843 0.731 0.813 0.933 0.533 CA 1.365 17 residues pruned to eliminate duplicates Z: 12 18.890 1.885 0.720 0.826 1.000 0.909 CB 1.325 12 residues pruned to eliminate duplicates Z: 11 7.212 1.761 0.287 0.701 0.900 0.700 CB 0.931 11 residues pruned to eliminate duplicates Z: 22 15.408 1.814 0.273 0.561 0.952 0.619 CB 1.442 36 residues pruned to eliminate duplicates Z: 14 7.530 1.732 0.339 0.366 0.846 0.615 CB 1.228 14 residues pruned to eliminate duplicates Z: 17 10.666 1.654 0.375 0.687 0.938 0.688 CB 1.054 13 residues pruned to eliminate duplicates Z: 13 14.734 1.804 0.525 0.615 1.000 0.750 CB 1.386 13 residues pruned to eliminate duplicates Z: 30 18.442 1.942 0.477 0.489 0.862 0.517 CB 1.401 30 residues pruned to eliminate duplicates Z: 7 5.442 1.610 0.369 0.426 0.833 0.333 CB 1.307 6 0.934 1.128 0.095 0.403 0.800 0.600 CB 0.468 ? Z: 8 10.245 1.618 0.883 0.854 1.000 0.714 CA 0.939 8 residues pruned to eliminate duplicates Z: 17 23.978 1.745 0.982 0.847 1.000 0.688 CA 1.287 17 residues pruned to eliminate duplicates Z: 19 14.345 1.670 0.632 0.753 0.944 0.667 CB 1.048 19 residues pruned to eliminate duplicates Z: 18 18.178 1.769 0.712 0.794 0.882 0.765 CA 1.276 18 residues pruned to eliminate duplicates Z: 13 5.150 1.687 0.552 0.242 0.667 0.500 CB 1.148 13 residues pruned to eliminate duplicates Z: 8 5.936 1.551 0.612 0.562 0.714 0.714 CA 1.183 Z: 6 2.232 1.318 0.550 0.330 0.600 0.400 CA 0.981 Z: 27 13.218 1.799 0.265 0.535 0.923 0.692 CB 1.192 27 residues pruned to eliminate duplicates Z: 22 13.822 1.881 0.283 0.466 0.952 0.524 CA 1.358 22 residues pruned to eliminate duplicates Z: 7 2.974 1.360 0.538 0.403 0.833 0.333 N 0.772 Z: 15 15.194 1.854 0.518 0.814 0.929 0.714 CA 1.182 15 residues pruned to eliminate duplicates Z: 15 24.462 1.895 0.651 0.908 1.000 0.714 CB 1.484 15 residues pruned to eliminate duplicates Z: 8 8.344 1.543 0.428 0.841 1.000 0.571 CB 1.068 Z: 13 23.295 1.991 0.711 0.912 1.000 0.917 CA 1.399 13 residues pruned to eliminate duplicates Z: 22 10.705 1.606 0.624 0.400 0.857 0.524 CB 1.161 22 residues pruned to eliminate duplicates Z: 6 3.062 1.572 0.607 0.510 0.600 0.600 CB 0.894 Z: 7 3.174 1.507 0.828 0.249 0.667 0.333 CB 0.942 Z: 14 15.526 1.866 0.701 0.902 0.923 0.769 CB 1.048 14 residues pruned to eliminate duplicates Z: 16 16.053 1.825 0.508 0.840 0.933 0.667 CA 1.205 23 residues pruned to eliminate duplicates Z: 7 8.946 1.898 0.442 0.375 1.000 0.667 CB 1.526 8 residues pruned to eliminate duplicates Z: 21 12.111 1.807 0.326 0.448 0.950 0.450 CB 1.256 19 residues pruned to eliminate duplicates Z: 7 6.836 1.958 0.059 0.804 1.000 0.833 CB 1.032 7 residues pruned to eliminate duplicates Z: 8 2.564 1.425 0.271 0.231 0.714 0.286 N 1.025 Z: 30 18.303 1.820 0.489 0.532 0.897 0.517 CB 1.355 31 residues pruned to eliminate duplicates Z: 16 19.269 1.828 0.693 0.783 0.933 0.667 CA 1.342 16 residues pruned to eliminate duplicates Z: 13 12.489 1.616 0.646 0.847 1.000 0.917 CB 1.006 13 residues pruned to eliminate duplicates Z: 7 5.632 1.579 0.149 0.801 1.000 0.833 CB 0.973 7 residues pruned to eliminate duplicates Z: 6 8.333 1.657 0.287 0.862 1.000 0.600 CB 1.283 6 residues pruned to eliminate duplicates Z: 13 10.518 1.552 0.653 0.815 0.833 0.583 CA 1.080 13 residues pruned to eliminate duplicates Z: 14 18.245 1.921 0.565 0.903 0.923 0.692 CB 1.300 14 residues pruned to eliminate duplicates Z: 19 21.750 1.736 0.682 0.937 1.000 0.889 CB 1.221 17 residues pruned to eliminate duplicates Z: 12 11.162 1.715 0.317 0.806 1.000 0.545 CB 1.140 12 residues pruned to eliminate duplicates Z: 13 14.952 1.743 0.450 0.799 1.000 0.833 CA 1.315 13 residues pruned to eliminate duplicates Z: 26 26.695 2.117 0.585 0.670 0.960 0.840 CB 1.417 37 residues pruned to eliminate duplicates Z: 6 3.212 1.402 0.073 0.670 0.800 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 14 3.237 1.430 0.166 0.196 0.923 0.462 N 0.838 10 residues pruned to eliminate duplicates Z: 8 12.425 1.723 0.545 0.890 1.000 0.571 CB 1.269 8 residues pruned to eliminate duplicates Z: 32 21.585 1.909 0.459 0.489 1.000 0.645 CB 1.407 32 residues pruned to eliminate duplicates Z: 33 15.180 1.950 0.277 0.434 0.875 0.531 CB 1.319 51 residues pruned to eliminate duplicates Z: 12 6.544 1.742 0.369 0.463 0.818 0.545 CB 1.049 12 residues pruned to eliminate duplicates Z: 7 4.082 1.360 0.832 0.595 0.833 0.833 CB 0.733 6 1.786 1.238 0.182 0.282 1.000 0.600 CA 0.698 ? Z: 13 9.360 1.721 0.469 0.608 0.917 0.583 CB 1.052 13 residues pruned to eliminate duplicates Z: 7 2.678 1.731 0.305 0.248 0.500 0.333 CA 1.295 7 residues pruned to eliminate duplicates Z: 10 15.470 1.768 0.686 0.852 1.000 0.889 CA 1.280 10 residues pruned to eliminate duplicates Z: 7 7.445 1.794 -0.026 0.842 1.000 0.833 CB 1.295 6 residues pruned to eliminate duplicates Z: 9 3.873 1.653 0.226 0.510 0.750 0.750 CB 0.892 Z: 8 8.909 1.642 0.755 0.888 1.000 0.857 CB 0.842 7 residues pruned to eliminate duplicates Z: 13 19.150 1.918 0.626 0.876 1.000 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 10 4.353 1.501 0.642 0.248 0.667 0.333 CA 1.180 6 residues pruned to eliminate duplicates Z: 7 6.482 1.432 0.572 0.717 1.000 0.500 N 0.965 Z: 12 15.452 1.846 0.424 0.859 1.000 0.909 CB 1.303 12 residues pruned to eliminate duplicates Z: 13 12.624 1.563 0.484 0.837 1.000 0.583 CA 1.175 13 residues pruned to eliminate duplicates Z: 7 3.554 1.510 0.002 0.481 0.833 0.667 CB 1.173 Z: 10 8.813 1.629 0.332 0.860 1.000 0.667 CB 0.996 10 residues pruned to eliminate duplicates Z: 15 15.498 1.918 0.381 0.833 0.929 0.786 CA 1.263 15 residues pruned to eliminate duplicates Z: 7 3.989 1.262 0.182 0.867 1.000 0.833 CA 0.799 7 residues pruned to eliminate duplicates Z: 23 12.462 1.798 0.281 0.514 0.864 0.545 CA 1.318 23 residues pruned to eliminate duplicates Z: 18 19.526 1.741 0.685 0.902 1.000 0.706 CB 1.151 18 residues pruned to eliminate duplicates Z: 11 3.006 1.563 0.382 0.317 0.500 0.300 N 1.078 Z: 19 13.872 1.883 0.549 0.394 0.889 0.667 CB 1.411 19 residues pruned to eliminate duplicates Z: 8 3.175 1.352 0.737 0.211 0.857 0.571 O 0.839 Z: 11 10.419 1.879 0.445 0.638 1.000 0.800 CB 1.066 11 residues pruned to eliminate duplicates Z: 18 23.472 1.717 0.932 0.783 1.000 0.765 CA 1.338 18 residues pruned to eliminate duplicates 6 0.747 1.257 0.374 0.484 0.600 0.400 CB 0.327 ? Z: 6 8.199 1.599 0.553 0.780 1.000 0.800 N 1.153 9 residues pruned to eliminate duplicates Z: 20 9.396 1.620 0.530 0.331 0.842 0.368 CB 1.242 20 residues pruned to eliminate duplicates Z: 7 4.430 1.547 0.060 0.591 1.000 0.667 CB 1.012 Z: 7 10.416 1.776 0.381 0.789 1.000 0.833 N 1.345 6 residues pruned to eliminate duplicates Z: 18 13.420 1.822 0.519 0.519 0.882 0.647 CB 1.309 18 residues pruned to eliminate duplicates Z: 6 4.399 1.619 0.836 0.875 1.000 1.000 CB 0.481 Z: 16 25.344 1.888 0.904 0.873 1.000 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 26 24.333 2.057 0.600 0.640 0.920 0.640 CB 1.411 26 residues pruned to eliminate duplicates Z: 7 3.679 1.674 0.405 0.312 0.833 0.333 CB 0.944 Z: 25 11.032 1.839 0.442 0.293 0.750 0.583 CB 1.428 25 residues pruned to eliminate duplicates Z: 17 17.901 1.794 0.626 0.752 0.938 0.562 CA 1.306 17 residues pruned to eliminate duplicates Z: 6 3.212 1.237 0.253 0.522 1.000 0.400 CB 0.907 Z: 8 4.463 1.493 0.484 0.371 0.857 0.429 CB 1.020 Z: 11 5.118 1.482 0.477 0.436 0.900 0.500 CA 0.878 8 residues pruned to eliminate duplicates Z: 18 6.171 1.426 0.482 0.305 0.882 0.412 CB 0.998 Z: 16 11.702 1.836 0.355 0.472 0.933 0.800 CB 1.337 15 residues pruned to eliminate duplicates Z: 6 3.794 1.625 0.133 0.404 1.000 0.400 CB 1.019 4 residues pruned to eliminate duplicates Z: 12 8.947 1.866 0.275 0.748 0.909 0.636 CA 0.999 12 residues pruned to eliminate duplicates 6 1.710 1.062 0.786 0.298 0.800 0.600 CB 0.632 ? Z: 6 6.918 1.695 0.754 0.809 1.000 0.600 CB 0.795 6 residues pruned to eliminate duplicates Z: 6 2.482 1.416 0.495 0.350 0.800 0.600 CB 0.771 Z: 22 17.045 1.966 0.606 0.571 0.810 0.667 CA 1.358 22 residues pruned to eliminate duplicates Z: 11 14.882 2.054 0.664 0.589 1.000 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 12 4.582 1.535 0.105 0.362 0.909 0.727 CB 1.039 Z: 13 11.734 1.789 0.492 0.835 0.833 0.500 CB 1.141 13 residues pruned to eliminate duplicates Z: 8 4.443 1.825 0.265 0.181 0.857 0.571 CB 1.246 8 residues pruned to eliminate duplicates 7 1.425 1.274 0.233 0.455 0.833 0.500 CB 0.465 ? Z: 11 8.690 1.680 -0.005 0.888 1.000 1.000 CA 1.184 11 residues pruned to eliminate duplicates Z: 7 2.922 1.495 0.101 0.405 0.833 0.500 CB 0.961 4 residues pruned to eliminate duplicates Z: 10 10.887 1.642 0.501 0.843 1.000 1.000 CB 1.096 6 residues pruned to eliminate duplicates Z: 18 17.554 1.803 0.753 0.755 0.882 0.588 CB 1.217 18 residues pruned to eliminate duplicates Z: 28 12.831 1.770 0.577 0.366 0.815 0.444 CB 1.254 28 residues pruned to eliminate duplicates Z: 7 5.191 1.638 0.351 0.655 1.000 0.667 CB 0.829 Z: 17 9.362 1.752 0.356 0.438 0.875 0.688 CB 1.200 17 residues pruned to eliminate duplicates Z: 6 5.907 1.556 0.863 0.453 0.800 0.600 CB 1.195 Z: 13 11.238 1.648 0.202 0.833 1.000 0.667 CA 1.229 13 residues pruned to eliminate duplicates Z: 7 9.991 1.699 0.605 0.775 1.000 0.667 CB 1.174 7 residues pruned to eliminate duplicates Z: 7 9.990 1.747 0.507 0.811 1.000 0.667 CA 1.181 6 residues pruned to eliminate duplicates Z: 21 17.399 1.863 0.487 0.553 1.000 0.650 CA 1.334 21 residues pruned to eliminate duplicates Z: 11 4.071 1.509 0.331 0.446 0.700 0.600 CB 0.968 11 residues pruned to eliminate duplicates 6 1.888 1.502 0.736 0.408 0.400 0.400 CA 0.891 ? Z: 11 7.705 1.665 0.373 0.514 0.800 0.600 CA 1.315 11 residues pruned to eliminate duplicates Z: 6 2.117 1.468 0.724 0.309 0.600 0.200 CB 0.770 Z: 16 5.849 1.648 0.483 0.391 0.667 0.400 CB 1.041 16 residues pruned to eliminate duplicates Z: 16 11.324 1.776 0.462 0.391 0.933 0.467 CB 1.354 16 residues pruned to eliminate duplicates Z: 8 3.964 1.393 0.358 0.457 0.857 0.571 N 0.966 Z: 25 11.257 1.871 0.214 0.350 0.792 0.375 CB 1.503 25 residues pruned to eliminate duplicates Z: 6 4.485 1.632 0.374 0.374 0.800 0.400 CA 1.278 Z: 6 3.758 1.767 0.946 0.879 1.000 1.000 CB 0.354 Z: 13 10.190 1.652 0.579 0.563 0.917 0.667 CA 1.157 13 residues pruned to eliminate duplicates Z: 14 24.667 1.958 0.816 0.845 1.000 0.923 CA 1.431 14 residues pruned to eliminate duplicates Z: 12 9.971 1.643 0.584 0.764 1.000 0.818 CB 0.915 12 residues pruned to eliminate duplicates Z: 24 12.066 1.812 0.336 0.415 0.913 0.565 CB 1.244 25 residues pruned to eliminate duplicates Z: 15 19.476 1.890 0.417 0.913 1.000 0.929 CA 1.375 15 residues pruned to eliminate duplicates Z: 8 6.720 1.655 0.149 0.844 1.000 0.714 CB 0.993 8 residues pruned to eliminate duplicates Z: 7 8.884 1.715 0.394 0.814 0.833 0.667 N 1.386 7 residues pruned to eliminate duplicates Z: 17 10.520 1.936 0.358 0.431 0.875 0.625 CB 1.229 17 residues pruned to eliminate duplicates Z: 9 12.658 1.685 0.802 0.799 0.875 0.625 N 1.297 9 residues pruned to eliminate duplicates Z: 17 24.247 1.816 0.795 0.868 0.938 0.812 CB 1.450 17 residues pruned to eliminate duplicates Z: 31 21.979 1.986 0.561 0.590 0.967 0.700 CB 1.229 31 residues pruned to eliminate duplicates Z: 6 10.181 2.030 0.523 0.845 1.000 1.000 CB 1.095 6 residues pruned to eliminate duplicates Z: 9 2.217 1.498 0.128 0.228 0.625 0.250 CB 1.020 Z: 23 16.719 1.799 0.490 0.667 0.909 0.545 CA 1.254 20 residues pruned to eliminate duplicates Z: 14 6.358 1.565 0.330 0.403 0.923 0.462 CB 1.017 14 residues pruned to eliminate duplicates Z: 8 2.524 1.293 0.473 0.317 0.857 0.571 CA 0.715 Z: 15 7.783 1.860 -0.031 0.449 0.929 0.500 CB 1.310 15 residues pruned to eliminate duplicates Z: 17 22.085 1.770 0.797 0.900 1.000 0.688 CB 1.239 17 residues pruned to eliminate duplicates Z: 17 7.936 1.733 0.239 0.554 0.812 0.500 CB 1.079 17 residues pruned to eliminate duplicates Z: 6 3.563 1.459 0.121 0.431 1.000 0.200 CA 1.046 6 residues pruned to eliminate duplicates Z: 8 6.370 1.733 0.611 0.496 0.714 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 6 2.110 1.236 0.751 0.471 0.800 0.200 CB 0.561 Z: 24 11.355 1.818 0.440 0.363 0.739 0.348 N 1.418 24 residues pruned to eliminate duplicates Z: 12 16.046 1.816 0.592 0.794 1.000 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 24 9.558 1.737 0.389 0.435 0.739 0.522 CB 1.195 23 residues pruned to eliminate duplicates Z: 8 2.162 1.399 0.141 0.209 0.714 0.286 N 1.010 Z: 6 4.177 1.451 0.371 0.618 1.000 0.200 CB 0.840 Z: 8 2.297 1.690 -0.138 0.394 0.714 0.429 CB 0.934 Z: 12 2.980 1.407 0.149 0.253 0.727 0.455 N 1.015 Z: 16 16.499 1.880 0.444 0.610 0.867 0.800 CB 1.631 16 residues pruned to eliminate duplicates Z: 6 15.291 2.195 0.737 0.767 1.000 1.000 CB 1.415 6 residues pruned to eliminate duplicates Z: 11 10.961 1.605 0.305 0.895 1.000 1.000 CB 1.187 11 residues pruned to eliminate duplicates Z: 14 19.498 1.853 0.588 0.872 1.000 0.462 CB 1.339 13 residues pruned to eliminate duplicates Z: 8 2.590 1.531 0.354 0.304 1.000 0.571 CB 0.587 Z: 22 9.931 1.760 0.436 0.514 0.810 0.524 CB 1.045 22 residues pruned to eliminate duplicates Z: 8 5.240 1.574 0.240 0.561 0.857 0.714 CB 1.115 8 residues pruned to eliminate duplicates Z: 11 7.790 1.662 0.144 0.889 1.000 1.000 CB 0.932 11 residues pruned to eliminate duplicates 6 1.608 1.337 0.632 0.277 0.400 0.200 N 1.059 ? Z: 11 17.886 2.017 0.629 0.866 1.000 0.600 CA 1.260 11 residues pruned to eliminate duplicates Z: 7 12.170 1.869 0.445 0.717 1.000 0.833 CA 1.513 7 residues pruned to eliminate duplicates 7 1.537 1.464 0.059 0.202 0.667 0.500 N 0.864 ? Z: 17 13.158 1.794 0.457 0.641 0.875 0.688 CA 1.259 17 residues pruned to eliminate duplicates Z: 6 3.316 1.304 0.386 0.434 0.800 0.600 C 1.098 Z: 9 4.043 1.504 0.436 0.186 1.000 0.500 CB 0.964 9 residues pruned to eliminate duplicates Z: 17 19.617 1.906 0.636 0.851 0.938 0.938 CA 1.242 17 residues pruned to eliminate duplicates Z: 17 22.599 1.777 0.822 0.922 0.938 0.688 CB 1.310 19 residues pruned to eliminate duplicates Z: 7 3.084 1.532 0.043 0.620 0.833 0.333 CB 0.844 Z: 21 10.477 1.817 0.188 0.551 0.900 0.550 CB 1.148 21 residues pruned to eliminate duplicates Z: 8 4.609 1.489 0.304 0.541 0.857 0.714 N 1.006 6 1.555 1.099 0.264 0.454 0.800 0.600 CB 0.655 ? Z: 16 16.061 1.674 0.631 0.824 0.867 0.733 CA 1.324 16 residues pruned to eliminate duplicates Z: 16 8.110 1.710 0.353 0.347 0.933 0.733 CB 1.144 16 residues pruned to eliminate duplicates Z: 11 5.519 1.346 0.406 0.541 0.800 0.500 CB 1.107 8 residues pruned to eliminate duplicates Z: 16 8.012 1.725 0.488 0.452 0.733 0.533 CB 1.154 16 residues pruned to eliminate duplicates Z: 14 8.589 1.568 0.371 0.599 0.769 0.692 CB 1.311 14 residues pruned to eliminate duplicates Z: 6 3.692 1.536 0.608 0.528 0.800 0.800 CB 0.813 4 residues pruned to eliminate duplicates Z: 13 6.843 1.604 0.644 0.343 0.833 0.583 CB 1.066 19 residues pruned to eliminate duplicates Z: 7 4.063 1.497 0.427 0.401 0.833 0.667 N 1.034 Z: 18 9.828 1.800 0.377 0.465 0.941 0.588 CB 1.059 13 residues pruned to eliminate duplicates Z: 8 6.525 1.820 0.600 0.303 0.857 0.857 CB 1.231 8 residues pruned to eliminate duplicates Z: 10 11.073 1.884 0.499 0.386 1.000 0.333 CB 1.475 10 residues pruned to eliminate duplicates Z: 17 6.330 1.687 0.124 0.424 0.938 0.312 CB 0.963 15 residues pruned to eliminate duplicates Z: 15 19.390 1.888 0.654 0.735 0.929 0.714 CA 1.447 15 residues pruned to eliminate duplicates Z: 6 2.751 1.658 0.393 0.294 0.600 0.400 CB 1.118 4 residues pruned to eliminate duplicates Z: 18 11.087 1.764 0.516 0.476 0.824 0.529 CB 1.251 18 residues pruned to eliminate duplicates Z: 8 6.057 1.749 0.671 0.152 0.857 0.714 N 1.402 8 residues pruned to eliminate duplicates Z: 27 12.974 1.893 0.381 0.451 0.808 0.577 CB 1.268 27 residues pruned to eliminate duplicates Z: 8 6.021 1.770 0.483 0.590 0.857 0.714 CA 0.928 8 residues pruned to eliminate duplicates Z: 11 8.694 1.801 0.581 0.568 0.900 0.500 CB 1.004 11 residues pruned to eliminate duplicates Z: 22 12.510 1.723 0.416 0.569 0.905 0.524 CB 1.157 22 residues pruned to eliminate duplicates Z: 18 11.257 1.748 0.533 0.512 0.882 0.706 CA 1.141 12 residues pruned to eliminate duplicates Z: 6 2.859 1.346 0.250 0.369 0.800 0.600 CA 1.093 Z: 14 4.522 1.659 0.155 0.221 0.846 0.385 CB 1.072 14 residues pruned to eliminate duplicates 6 1.758 0.930 0.757 0.479 1.000 0.600 CB 0.491 ? Z: 19 8.669 1.812 0.312 0.240 0.833 0.500 CB 1.395 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 77 33.326 1.974 0.554 0.481 0.895 0.579 CB 1.419 85 residues pruned to eliminate duplicates Z: 6 15.234 2.085 0.772 0.857 1.000 1.000 CA 1.358 Z: 8 13.492 1.749 0.745 0.858 1.000 0.429 CA 1.231 6 residues pruned to eliminate duplicates Z: 7 14.045 1.992 0.553 0.863 1.000 0.667 CA 1.361 7 residues pruned to eliminate duplicates Z: 15 23.832 1.969 0.408 0.900 1.000 0.929 CB 1.642 15 residues pruned to eliminate duplicates Z: 18 27.915 1.915 0.779 0.732 0.941 0.824 N 1.713 19 residues pruned to eliminate duplicates Z: 15 27.646 1.995 0.566 0.910 1.000 0.929 CB 1.677 15 residues pruned to eliminate duplicates Z: 17 27.624 1.915 0.846 0.798 0.938 0.875 CB 1.606 17 residues pruned to eliminate duplicates Z: 15 31.712 2.056 0.768 0.833 1.000 0.714 N 1.749 15 residues pruned to eliminate duplicates Z: 17 21.170 1.929 0.675 0.685 0.875 0.625 CA 1.580 17 residues pruned to eliminate duplicates Z: 16 16.721 1.893 0.653 0.666 1.000 0.600 CA 1.184 16 residues pruned to eliminate duplicates Z: 16 30.337 1.996 0.881 0.768 1.000 0.733 CB 1.645 17 residues pruned to eliminate duplicates Z: 15 30.618 1.956 0.790 0.913 1.000 0.714 CA 1.654 17 residues pruned to eliminate duplicates Z: 8 13.506 1.762 0.675 0.809 1.000 0.714 C 1.322 7 residues pruned to eliminate duplicates Z: 16 31.407 1.977 0.695 0.916 1.000 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 15 26.318 2.013 0.719 0.876 0.929 0.571 CB 1.591 15 residues pruned to eliminate duplicates Z: 21 24.176 1.835 0.769 0.718 0.950 0.550 CB 1.439 19 residues pruned to eliminate duplicates Z: 6 2.843 1.529 0.176 0.415 0.800 0.600 CB 0.966 6 residues pruned to eliminate duplicates Z: 8 6.936 1.844 0.328 0.335 0.857 0.714 CB 1.497 8 residues pruned to eliminate duplicates Z: 14 4.592 1.576 0.122 0.206 0.846 0.462 CB 1.206 11 residues pruned to eliminate duplicates Z: 6 4.127 1.388 0.376 0.336 1.000 0.800 CA 1.156 6 residues pruned to eliminate duplicates Z: 7 10.646 1.599 0.541 0.884 1.000 1.000 N 1.274 7 residues pruned to eliminate duplicates Z: 11 8.883 1.593 0.313 0.712 1.000 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 10 11.996 1.610 0.574 0.854 1.000 0.667 CB 1.165 10 residues pruned to eliminate duplicates Z: 8 11.652 1.606 0.543 0.874 1.000 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 6 4.337 1.530 0.948 0.636 0.800 0.400 CB 0.716 6 residues pruned to eliminate duplicates Z: 6 8.448 1.785 0.299 0.622 1.000 0.800 CA 1.453 8 residues pruned to eliminate duplicates Z: 7 6.355 1.496 0.618 0.574 0.833 0.667 CA 1.198 7 residues pruned to eliminate duplicates Z: 10 4.408 1.442 0.506 0.353 0.778 0.333 CA 1.020 10 residues pruned to eliminate duplicates Z: 9 6.284 1.461 0.455 0.607 0.875 0.500 N 1.079 9 residues pruned to eliminate duplicates Z: 9 6.361 1.567 0.594 0.450 0.875 0.125 N 1.084 8 residues pruned to eliminate duplicates Z: 6 3.661 1.465 0.629 0.640 0.800 0.600 CB 0.753 Z: 6 5.125 1.685 0.720 0.393 0.800 0.800 CB 1.106 6 residues pruned to eliminate duplicates Z: 6 4.498 1.295 0.862 0.345 1.000 1.000 CB 0.987 Z: 8 8.649 1.711 0.542 0.883 1.000 1.000 CB 0.896 7 residues pruned to eliminate duplicates Z: 7 8.256 1.792 0.643 0.854 1.000 0.667 CB 0.846 7 residues pruned to eliminate duplicates Z: 6 6.564 1.764 0.682 0.845 1.000 0.800 CB 0.736 6 residues pruned to eliminate duplicates Z: 8 8.000 1.705 0.776 0.748 1.000 0.714 CB 0.800 8 residues pruned to eliminate duplicates Z: 7 9.903 1.769 0.882 0.847 1.000 0.833 CB 0.901 8 residues pruned to eliminate duplicates Z: 8 9.803 1.622 0.582 0.856 1.000 0.857 CB 1.065 7 residues pruned to eliminate duplicates Z: 7 7.154 1.643 0.694 0.386 1.000 0.333 CB 1.184 5 residues pruned to eliminate duplicates Z: 6 3.465 1.332 0.547 0.497 1.000 0.200 N 0.754 Z: 8 9.415 1.592 0.858 0.546 1.000 0.429 CB 1.151 6 residues pruned to eliminate duplicates Z: 13 5.764 1.708 0.303 0.639 0.833 0.583 CB 0.788 13 residues pruned to eliminate duplicates Z: 14 9.144 1.755 0.406 0.582 0.923 0.538 CB 1.029 14 residues pruned to eliminate duplicates Z: 14 5.761 1.592 0.585 0.543 0.846 0.462 CB 0.718 14 residues pruned to eliminate duplicates Z: 13 6.589 1.720 0.541 0.439 0.833 0.333 CB 0.917 13 residues pruned to eliminate duplicates Z: 14 8.519 1.736 0.557 0.577 0.846 0.538 CB 0.960 14 residues pruned to eliminate duplicates Z: 14 9.492 1.716 0.649 0.597 0.923 0.462 CB 0.919 14 residues pruned to eliminate duplicates Z: 17 9.072 1.672 0.501 0.491 0.875 0.375 CB 1.042 17 residues pruned to eliminate duplicates Z: 15 9.375 1.678 0.701 0.624 0.929 0.500 CB 0.841 15 residues pruned to eliminate duplicates Z: 8 6.024 1.660 0.413 0.323 0.857 0.571 O 1.376 8 residues pruned to eliminate duplicates Z: 6 2.288 1.534 0.235 0.110 0.800 0.200 CB 1.106 6 residues pruned to eliminate duplicates Z: 15 5.075 1.617 0.387 0.275 0.714 0.429 N 1.092 15 residues pruned to eliminate duplicates Z: 28 11.339 1.688 0.394 0.394 0.889 0.519 CB 1.167 28 residues pruned to eliminate duplicates Z: 27 11.005 1.676 0.346 0.453 0.846 0.423 CB 1.186 13 residues pruned to eliminate duplicates Z: 6 4.948 1.477 0.690 0.441 1.000 0.800 N 0.943 Z: 7 6.535 1.588 0.584 0.476 1.000 0.500 CB 1.086 7 residues pruned to eliminate duplicates Z: 12 6.771 1.679 0.461 0.305 0.818 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 14 7.775 1.687 0.543 0.326 0.923 0.538 CB 1.086 14 residues pruned to eliminate duplicates Z: 12 5.655 1.722 0.444 0.319 0.727 0.455 CB 1.152 12 residues pruned to eliminate duplicates Z: 12 7.807 1.657 0.578 0.436 0.818 0.545 N 1.175 12 residues pruned to eliminate duplicates Z: 15 5.300 1.654 0.386 0.384 0.643 0.429 CB 1.088 15 residues pruned to eliminate duplicates Z: 10 5.469 1.539 0.154 0.468 0.889 0.222 CA 1.194 9 residues pruned to eliminate duplicates Z: 7 2.804 1.516 -0.136 0.732 0.667 0.500 CB 1.065 7 residues pruned to eliminate duplicates Z: 8 6.949 1.803 0.085 0.606 0.857 0.571 CA 1.417 8 residues pruned to eliminate duplicates Z: 9 7.907 1.698 0.353 0.499 1.000 0.625 CB 1.218 9 residues pruned to eliminate duplicates Z: 24 10.358 1.631 0.376 0.375 0.913 0.522 CB 1.204 25 residues pruned to eliminate duplicates Z: 9 6.264 1.628 0.067 0.748 1.000 0.625 CB 1.021 9 residues pruned to eliminate duplicates Z: 9 6.268 1.597 0.274 0.633 1.000 0.250 CB 0.962 10 residues pruned to eliminate duplicates Z: 7 6.785 1.610 0.294 0.790 1.000 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 11 12.749 1.902 0.192 0.788 1.000 0.800 CA 1.381 11 residues pruned to eliminate duplicates Z: 11 10.373 1.873 0.090 0.740 1.000 0.700 CA 1.296 11 residues pruned to eliminate duplicates Z: 11 11.141 1.877 0.139 0.757 1.000 0.800 CA 1.310 11 residues pruned to eliminate duplicates Z: 10 7.085 1.966 0.005 0.749 0.889 0.778 CA 1.077 10 residues pruned to eliminate duplicates Z: 15 8.664 1.714 0.314 0.510 0.857 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 34 14.777 1.743 0.376 0.518 0.879 0.576 CB 1.199 37 residues pruned to eliminate duplicates Z: 10 10.370 1.906 0.121 0.801 1.000 0.889 CA 1.244 10 residues pruned to eliminate duplicates Z: 12 10.165 1.925 0.147 0.596 0.909 0.727 CA 1.393 12 residues pruned to eliminate duplicates Z: 28 18.653 1.829 0.497 0.543 0.963 0.630 CA 1.306 11 residues pruned to eliminate duplicates Z: 10 10.161 1.937 0.207 0.765 1.000 0.667 CA 1.145 10 residues pruned to eliminate duplicates Z: 34 16.460 1.740 0.482 0.480 0.909 0.697 CA 1.248 27 residues pruned to eliminate duplicates Z: 6 5.506 1.746 0.204 0.283 1.000 0.600 CA 1.496 Z: 22 16.214 1.827 0.797 0.505 0.857 0.714 CB 1.251 28 residues pruned to eliminate duplicates Z: 22 14.925 1.830 0.667 0.501 0.857 0.714 CB 1.244 22 residues pruned to eliminate duplicates Z: 22 15.760 1.812 0.625 0.483 0.952 0.571 CB 1.248 23 residues pruned to eliminate duplicates Z: 22 16.378 1.821 0.666 0.507 0.952 0.571 CB 1.228 21 residues pruned to eliminate duplicates Z: 19 13.494 1.780 0.579 0.499 0.889 0.667 CB 1.274 19 residues pruned to eliminate duplicates Z: 22 15.193 1.840 0.746 0.467 0.857 0.714 CB 1.245 22 residues pruned to eliminate duplicates Z: 22 13.303 1.795 0.691 0.516 0.810 0.476 CB 1.163 22 residues pruned to eliminate duplicates Z: 22 16.294 1.827 0.860 0.517 0.857 0.667 CB 1.201 22 residues pruned to eliminate duplicates Z: 20 16.127 1.773 0.756 0.526 0.895 0.579 CB 1.294 20 residues pruned to eliminate duplicates Z: 23 15.468 1.849 0.635 0.479 0.864 0.591 CB 1.291 23 residues pruned to eliminate duplicates Z: 18 13.870 1.854 0.649 0.499 0.824 0.529 CB 1.338 18 residues pruned to eliminate duplicates Z: 15 9.729 1.657 0.831 0.412 0.857 0.571 CA 1.097 15 residues pruned to eliminate duplicates Z: 24 12.604 1.801 0.535 0.418 0.870 0.739 CB 1.191 24 residues pruned to eliminate duplicates Z: 9 3.888 1.623 0.458 0.184 0.750 0.375 CB 1.133 9 residues pruned to eliminate duplicates Z: 20 14.161 1.708 0.142 0.768 0.947 0.737 CB 1.386 18 residues pruned to eliminate duplicates Z: 9 10.730 1.628 0.477 0.868 1.000 0.750 N 1.154 9 residues pruned to eliminate duplicates Z: 23 18.929 1.789 0.469 0.711 0.909 0.818 CB 1.395 32 residues pruned to eliminate duplicates Z: 13 19.536 1.860 0.543 0.879 1.000 1.000 CA 1.425 13 residues pruned to eliminate duplicates Z: 27 15.534 1.801 0.357 0.574 0.885 0.538 CB 1.312 27 residues pruned to eliminate duplicates Z: 15 17.214 1.809 0.627 0.735 0.929 0.571 N 1.363 15 residues pruned to eliminate duplicates Z: 16 21.584 1.885 0.767 0.838 0.933 0.800 CB 1.339 16 residues pruned to eliminate duplicates Z: 15 22.045 1.847 0.718 0.928 1.000 0.786 CB 1.300 15 residues pruned to eliminate duplicates Z: 14 15.923 1.866 0.638 0.743 0.923 0.538 CB 1.259 14 residues pruned to eliminate duplicates Z: 38 20.866 1.822 0.601 0.531 0.892 0.649 CB 1.279 50 residues pruned to eliminate duplicates Z: 16 20.252 1.820 0.766 0.879 0.933 0.667 CB 1.263 16 residues pruned to eliminate duplicates Z: 35 19.180 1.769 0.668 0.537 0.794 0.588 CB 1.353 35 residues pruned to eliminate duplicates Z: 20 15.543 1.776 0.554 0.724 0.895 0.579 CB 1.180 20 residues pruned to eliminate duplicates Z: 17 26.062 1.912 0.828 0.876 0.938 0.812 CB 1.445 17 residues pruned to eliminate duplicates Z: 16 25.006 1.909 0.805 0.863 0.933 0.933 CB 1.473 16 residues pruned to eliminate duplicates Z: 16 18.537 1.887 0.593 0.831 0.933 0.800 CB 1.282 16 residues pruned to eliminate duplicates Z: 16 22.686 1.878 0.648 0.878 0.933 0.800 CB 1.472 16 residues pruned to eliminate duplicates Z: 26 15.033 1.757 0.408 0.606 0.880 0.640 CB 1.248 26 residues pruned to eliminate duplicates Z: 30 19.594 1.794 0.422 0.612 0.966 0.793 CB 1.329 30 residues pruned to eliminate duplicates Z: 6 2.146 1.626 -0.112 0.157 1.000 0.200 CB 1.011 Z: 7 4.988 1.709 0.268 0.391 1.000 0.500 CB 1.054 6 residues pruned to eliminate duplicates Z: 7 4.131 1.447 0.243 0.484 1.000 0.667 CA 0.953 Z: 24 15.014 1.825 0.428 0.635 0.826 0.652 CA 1.281 38 residues pruned to eliminate duplicates Z: 17 13.230 1.825 0.559 0.526 0.875 0.750 CA 1.294 17 residues pruned to eliminate duplicates Z: 14 9.274 1.770 0.439 0.387 0.923 0.462 CB 1.234 14 residues pruned to eliminate duplicates Z: 22 15.011 1.870 0.380 0.655 0.857 0.714 CA 1.282 22 residues pruned to eliminate duplicates Z: 11 8.433 1.792 0.323 0.598 0.900 0.500 CA 1.138 11 residues pruned to eliminate duplicates Z: 21 14.723 1.786 0.594 0.497 0.900 0.550 CB 1.289 29 residues pruned to eliminate duplicates Z: 15 27.626 2.072 0.716 0.915 1.000 0.857 CA 1.468 15 residues pruned to eliminate duplicates Z: 16 28.148 2.066 0.780 0.860 0.933 0.733 CA 1.557 16 residues pruned to eliminate duplicates Z: 20 27.257 1.968 0.761 0.812 1.000 0.737 CA 1.375 21 residues pruned to eliminate duplicates Z: 15 26.109 2.073 0.757 0.886 1.000 0.714 CA 1.383 15 residues pruned to eliminate duplicates Z: 17 26.395 2.015 0.899 0.797 0.938 0.875 CA 1.418 17 residues pruned to eliminate duplicates Z: 19 24.373 1.913 0.876 0.795 0.944 0.667 CB 1.309 19 residues pruned to eliminate duplicates Z: 16 29.571 2.083 0.899 0.833 0.933 0.600 CA 1.551 16 residues pruned to eliminate duplicates Z: 19 24.670 1.933 0.890 0.731 0.944 0.500 CB 1.368 19 residues pruned to eliminate duplicates Z: 21 25.673 1.955 0.840 0.772 0.950 0.650 CB 1.321 22 residues pruned to eliminate duplicates Z: 16 29.224 1.983 0.946 0.902 1.000 0.867 CA 1.395 16 residues pruned to eliminate duplicates Z: 16 28.060 2.063 0.903 0.850 0.933 0.733 CB 1.464 16 residues pruned to eliminate duplicates Z: 17 26.401 1.982 0.908 0.874 0.938 0.562 CB 1.355 17 residues pruned to eliminate duplicates Z: 12 9.920 1.601 0.607 0.774 1.000 0.727 CB 0.912 12 residues pruned to eliminate duplicates Z: 12 12.814 1.619 0.482 0.748 1.000 0.727 CA 1.290 12 residues pruned to eliminate duplicates Z: 10 13.180 1.753 0.723 0.684 0.889 0.667 CB 1.382 10 residues pruned to eliminate duplicates Z: 11 12.417 1.730 0.572 0.713 0.900 0.800 CA 1.322 11 residues pruned to eliminate duplicates Z: 12 9.339 1.667 0.521 0.580 0.818 0.545 CA 1.257 12 residues pruned to eliminate duplicates Z: 11 8.099 1.624 0.429 0.726 0.800 0.500 CB 1.125 11 residues pruned to eliminate duplicates Z: 10 7.495 1.737 0.510 0.567 0.778 0.444 CB 1.148 10 residues pruned to eliminate duplicates Z: 8 7.936 1.697 0.613 0.714 0.857 0.714 CB 1.053 8 residues pruned to eliminate duplicates Z: 13 9.968 1.593 0.728 0.634 0.917 0.667 CB 1.005 9 residues pruned to eliminate duplicates Z: 13 16.437 1.619 1.065 0.892 1.000 0.833 CB 1.019 13 residues pruned to eliminate duplicates Z: 11 9.982 1.576 0.651 0.872 0.900 0.800 CB 0.983 11 residues pruned to eliminate duplicates Z: 12 9.221 1.636 0.468 0.513 0.909 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 16 14.361 1.634 0.726 0.723 1.000 0.933 CB 1.075 17 residues pruned to eliminate duplicates Z: 8 9.293 1.656 0.426 0.909 1.000 0.714 CB 1.056 8 residues pruned to eliminate duplicates Z: 9 5.879 1.535 0.699 0.563 0.875 0.375 CB 0.857 9 residues pruned to eliminate duplicates Z: 8 7.134 1.537 0.734 0.627 0.857 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 6 11.228 1.781 0.529 0.856 1.000 0.800 CA 1.360 6 residues pruned to eliminate duplicates Z: 6 3.025 1.669 0.259 0.335 0.800 0.400 CB 0.963 6 residues pruned to eliminate duplicates Z: 6 5.219 1.587 0.512 0.449 1.000 0.600 CA 1.026 Z: 6 4.065 1.404 0.768 0.442 1.000 0.400 N 0.778 4 residues pruned to eliminate duplicates Z: 8 4.555 1.467 0.588 0.510 0.857 0.571 CA 0.853 8 residues pruned to eliminate duplicates Z: 23 12.011 1.881 0.265 0.459 0.955 0.636 CB 1.175 52 residues pruned to eliminate duplicates Z: 7 4.089 1.319 0.553 0.354 1.000 0.500 CB 0.955 7 residues pruned to eliminate duplicates Z: 20 10.065 1.843 0.264 0.532 0.842 0.526 CB 1.140 20 residues pruned to eliminate duplicates Z: 18 10.841 1.895 0.163 0.608 0.941 0.529 CB 1.144 18 residues pruned to eliminate duplicates Z: 19 12.153 1.916 0.232 0.577 0.889 0.611 CB 1.268 19 residues pruned to eliminate duplicates Z: 30 10.659 1.713 0.329 0.433 0.862 0.483 CB 1.081 30 residues pruned to eliminate duplicates Z: 19 11.134 1.950 0.221 0.563 0.889 0.611 CB 1.167 19 residues pruned to eliminate duplicates Z: 22 18.758 1.879 0.369 0.760 0.905 0.571 CB 1.396 22 residues pruned to eliminate duplicates Z: 30 18.430 1.841 0.537 0.604 0.966 0.517 CB 1.135 30 residues pruned to eliminate duplicates Z: 28 21.182 1.863 0.561 0.679 0.963 0.519 CB 1.234 28 residues pruned to eliminate duplicates Z: 12 21.843 1.968 0.866 0.924 0.909 0.455 CB 1.385 12 residues pruned to eliminate duplicates Z: 30 21.375 1.806 0.628 0.681 0.966 0.414 CB 1.184 30 residues pruned to eliminate duplicates Z: 28 19.089 1.864 0.554 0.663 0.889 0.593 CB 1.227 28 residues pruned to eliminate duplicates Z: 18 21.724 1.811 0.883 0.763 0.941 0.647 N 1.300 18 residues pruned to eliminate duplicates Z: 29 16.203 1.811 0.348 0.676 0.929 0.750 CB 1.149 29 residues pruned to eliminate duplicates Z: 10 6.362 1.539 0.889 0.491 0.667 0.556 N 1.104 10 residues pruned to eliminate duplicates Z: 26 21.433 1.873 0.725 0.736 0.880 0.440 CB 1.220 26 residues pruned to eliminate duplicates Z: 38 17.942 1.776 0.524 0.549 0.973 0.459 CB 1.068 36 residues pruned to eliminate duplicates Z: 7 4.077 1.373 0.558 0.409 0.833 0.500 CB 1.028 Z: 14 11.359 1.610 0.652 0.570 0.846 0.308 CB 1.309 15 residues pruned to eliminate duplicates Z: 6 2.195 1.388 0.649 0.249 0.600 0.400 CB 0.954 6 residues pruned to eliminate duplicates Z: 11 9.251 1.675 0.655 0.456 0.800 0.300 CA 1.380 11 residues pruned to eliminate duplicates Z: 9 10.269 1.592 0.927 0.526 0.875 0.625 CA 1.318 9 residues pruned to eliminate duplicates Z: 8 9.037 1.676 0.603 0.417 1.000 0.429 CB 1.386 8 residues pruned to eliminate duplicates Z: 12 11.314 1.718 0.324 0.773 1.000 0.818 CA 1.177 13 residues pruned to eliminate duplicates Z: 13 9.902 1.586 0.206 0.806 1.000 0.583 CA 1.145 12 residues pruned to eliminate duplicates Z: 10 9.220 1.739 0.238 0.843 0.889 0.667 CA 1.196 10 residues pruned to eliminate duplicates Z: 12 10.544 1.692 0.350 0.743 1.000 0.636 CA 1.119 12 residues pruned to eliminate duplicates Z: 14 7.280 1.603 0.213 0.659 0.923 0.538 CA 0.971 14 residues pruned to eliminate duplicates Z: 13 11.228 1.714 0.527 0.698 0.917 0.583 CA 1.128 13 residues pruned to eliminate duplicates Z: 10 13.886 1.774 0.577 0.801 1.000 0.556 CA 1.272 10 residues pruned to eliminate duplicates Z: 7 2.664 1.472 0.014 0.478 0.833 0.333 N 0.893 7 residues pruned to eliminate duplicates Z: 8 3.050 1.619 0.163 0.283 0.714 0.286 N 1.095 8 residues pruned to eliminate duplicates Z: 6 4.576 1.707 0.501 0.407 0.800 0.400 CB 1.100 6 residues pruned to eliminate duplicates Z: 10 7.882 1.750 0.549 0.339 0.889 0.667 CB 1.300 10 residues pruned to eliminate duplicates Z: 10 9.376 1.832 0.359 0.447 0.889 0.667 CB 1.492 9 residues pruned to eliminate duplicates Z: 6 7.600 1.665 0.971 0.429 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 8 3.613 1.561 0.305 0.203 0.857 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 11 7.276 1.740 0.409 0.288 0.900 0.600 CB 1.323 10 residues pruned to eliminate duplicates Z: 14 10.761 1.582 0.291 0.801 1.000 0.769 CB 1.122 14 residues pruned to eliminate duplicates Z: 12 9.808 1.611 0.113 0.880 1.000 0.909 CA 1.195 12 residues pruned to eliminate duplicates Z: 7 3.266 1.546 0.013 0.345 0.833 0.500 CA 1.209 7 residues pruned to eliminate duplicates Z: 18 10.031 1.719 -0.053 0.693 1.000 0.824 CB 1.253 18 residues pruned to eliminate duplicates Z: 9 5.105 1.531 0.017 0.588 1.000 0.875 CB 1.065 9 residues pruned to eliminate duplicates Z: 13 11.214 1.715 0.216 0.774 1.000 0.750 CA 1.218 13 residues pruned to eliminate duplicates Z: 18 11.411 1.716 0.206 0.625 0.941 0.529 CB 1.263 18 residues pruned to eliminate duplicates Z: 19 8.838 1.638 0.276 0.548 0.778 0.667 CB 1.223 19 residues pruned to eliminate duplicates Z: 18 12.120 1.705 0.382 0.643 0.941 0.706 CB 1.160 18 residues pruned to eliminate duplicates Z: 11 12.771 1.702 0.464 0.816 1.000 0.800 CB 1.232 11 residues pruned to eliminate duplicates Z: 19 10.744 1.703 0.371 0.545 0.944 0.556 CB 1.099 19 residues pruned to eliminate duplicates Z: 19 11.478 1.686 0.302 0.611 0.944 0.611 CB 1.175 19 residues pruned to eliminate duplicates Z: 49 17.418 1.794 0.428 0.441 0.854 0.500 CB 1.221 70 residues pruned to eliminate duplicates Z: 19 10.763 1.697 0.159 0.601 0.944 0.667 CB 1.240 Z: 20 11.941 1.695 0.259 0.680 0.947 0.842 CB 1.149 20 residues pruned to eliminate duplicates Z: 8 4.705 1.662 0.230 0.519 0.857 0.714 CB 0.996 8 residues pruned to eliminate duplicates Z: 44 15.910 1.827 0.399 0.438 0.814 0.512 CB 1.243 63 residues pruned to eliminate duplicates Z: 24 10.198 1.780 0.116 0.583 0.826 0.565 CB 1.197 Z: 6 4.397 1.528 0.062 0.453 1.000 0.200 CA 1.272 6 residues pruned to eliminate duplicates Z: 28 12.913 1.928 0.451 0.311 0.815 0.444 CB 1.346 52 residues pruned to eliminate duplicates Z: 16 8.225 1.925 0.488 0.445 0.667 0.467 CB 1.177 16 residues pruned to eliminate duplicates Z: 27 15.504 1.924 0.396 0.424 0.846 0.577 CA 1.448 27 residues pruned to eliminate duplicates Z: 26 15.111 1.966 0.462 0.452 0.840 0.600 CB 1.315 26 residues pruned to eliminate duplicates Z: 25 13.841 1.927 0.360 0.353 0.833 0.500 CA 1.517 25 residues pruned to eliminate duplicates Z: 26 13.740 1.902 0.490 0.329 0.840 0.640 CB 1.392 26 residues pruned to eliminate duplicates Z: 26 13.589 1.913 0.204 0.457 0.880 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 28 12.866 1.910 0.371 0.275 0.852 0.481 CB 1.433 28 residues pruned to eliminate duplicates Z: 28 12.874 1.924 0.295 0.320 0.926 0.556 CB 1.310 28 residues pruned to eliminate duplicates Z: 29 15.633 1.899 0.318 0.463 0.893 0.571 CB 1.373 42 residues pruned to eliminate duplicates Z: 26 13.654 1.946 0.447 0.349 0.800 0.560 CB 1.428 26 residues pruned to eliminate duplicates Z: 22 11.984 1.954 0.420 0.422 0.762 0.476 CB 1.341 22 residues pruned to eliminate duplicates Z: 18 16.621 1.956 0.754 0.423 0.941 0.706 CA 1.353 18 residues pruned to eliminate duplicates Z: 27 16.985 1.913 0.450 0.418 0.923 0.615 CA 1.416 27 residues pruned to eliminate duplicates Z: 13 18.537 1.965 0.885 0.594 1.000 0.833 CA 1.321 13 residues pruned to eliminate duplicates Z: 27 17.946 1.970 0.542 0.413 0.846 0.615 CA 1.500 27 residues pruned to eliminate duplicates Z: 26 18.379 2.007 0.481 0.436 0.920 0.680 CB 1.436 26 residues pruned to eliminate duplicates Z: 29 14.716 1.900 0.414 0.397 0.857 0.571 CB 1.346 29 residues pruned to eliminate duplicates Z: 26 19.153 1.987 0.464 0.479 0.960 0.640 CB 1.401 26 residues pruned to eliminate duplicates Z: 18 18.911 1.994 0.712 0.528 0.941 0.765 CA 1.389 18 residues pruned to eliminate duplicates Z: 25 17.024 1.903 0.633 0.461 0.833 0.583 CB 1.397 25 residues pruned to eliminate duplicates Z: 9 9.056 1.810 0.362 0.489 0.875 0.625 CB 1.501 9 residues pruned to eliminate duplicates Z: 22 12.568 1.757 0.435 0.545 0.905 0.571 CB 1.150 22 residues pruned to eliminate duplicates Z: 14 10.816 1.746 0.502 0.677 0.923 0.769 CB 1.052 14 residues pruned to eliminate duplicates Z: 20 13.648 1.787 0.424 0.599 0.895 0.526 CB 1.250 20 residues pruned to eliminate duplicates Z: 24 12.371 1.747 0.472 0.455 0.826 0.435 CB 1.271 24 residues pruned to eliminate duplicates Z: 27 12.968 1.668 0.511 0.436 0.923 0.385 CB 1.168 23 residues pruned to eliminate duplicates Z: 13 12.622 1.646 0.733 0.740 0.917 0.750 CB 1.123 13 residues pruned to eliminate duplicates Z: 20 13.274 1.808 0.462 0.578 0.895 0.421 CB 1.195 20 residues pruned to eliminate duplicates Z: 22 14.477 1.792 0.327 0.602 0.905 0.667 CB 1.332 22 residues pruned to eliminate duplicates Z: 8 4.165 1.784 0.081 0.423 0.857 0.286 CB 1.032 8 residues pruned to eliminate duplicates Z: 20 15.656 1.804 0.479 0.592 0.947 0.421 CB 1.302 20 residues pruned to eliminate duplicates Z: 20 12.797 1.816 0.365 0.559 0.895 0.474 CB 1.250 20 residues pruned to eliminate duplicates Z: 17 7.662 1.675 0.245 0.406 0.812 0.312 N 1.247 17 residues pruned to eliminate duplicates Z: 13 6.147 1.728 0.096 0.413 0.750 0.417 CA 1.367 13 residues pruned to eliminate duplicates Z: 24 11.001 1.745 0.440 0.515 0.739 0.478 CB 1.217 24 residues pruned to eliminate duplicates Z: 21 16.813 1.814 0.535 0.566 0.950 0.550 CB 1.333 26 residues pruned to eliminate duplicates Z: 6 5.457 1.783 0.227 0.562 0.800 0.200 N 1.313 6 residues pruned to eliminate duplicates Z: 28 14.316 1.621 0.489 0.510 0.926 0.481 CB 1.220 22 residues pruned to eliminate duplicates Z: 7 7.127 1.820 0.791 0.591 1.000 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 13 6.571 1.817 0.361 0.354 0.833 0.500 CB 1.078 13 residues pruned to eliminate duplicates Z: 36 23.020 1.934 0.590 0.572 0.943 0.543 CB 1.252 44 residues pruned to eliminate duplicates Z: 8 4.240 1.312 0.821 0.789 1.000 0.714 CA 0.520 8 residues pruned to eliminate duplicates Z: 37 22.669 1.904 0.464 0.591 0.944 0.528 CB 1.315 38 residues pruned to eliminate duplicates Z: 26 21.352 1.945 0.529 0.677 0.960 0.760 CB 1.271 26 residues pruned to eliminate duplicates Z: 28 18.707 1.922 0.423 0.613 0.926 0.667 CB 1.277 28 residues pruned to eliminate duplicates Z: 51 26.402 1.912 0.532 0.543 0.960 0.560 CB 1.273 75 residues pruned to eliminate duplicates Z: 24 26.342 1.996 0.620 0.680 1.000 0.783 CB 1.440 24 residues pruned to eliminate duplicates Z: 25 26.035 1.963 0.827 0.670 0.875 0.667 CB 1.448 25 residues pruned to eliminate duplicates Z: 26 23.001 1.949 0.581 0.645 1.000 0.640 CB 1.304 26 residues pruned to eliminate duplicates Z: 29 19.575 1.911 0.546 0.586 0.857 0.607 CB 1.345 29 residues pruned to eliminate duplicates Z: 26 15.756 1.883 0.397 0.584 0.920 0.520 CB 1.201 26 residues pruned to eliminate duplicates Z: 27 21.073 1.906 0.521 0.635 0.923 0.692 CA 1.360 27 residues pruned to eliminate duplicates Z: 25 21.589 1.968 0.461 0.669 0.958 0.625 CA 1.367 25 residues pruned to eliminate duplicates Z: 28 22.833 1.898 0.671 0.576 0.926 0.556 CB 1.391 28 residues pruned to eliminate duplicates Z: 36 22.192 1.940 0.410 0.572 0.971 0.514 CB 1.316 36 residues pruned to eliminate duplicates Z: 26 21.528 1.957 0.470 0.662 0.960 0.640 CB 1.341 26 residues pruned to eliminate duplicates Z: 24 23.489 1.944 0.621 0.623 0.957 0.696 CB 1.446 24 residues pruned to eliminate duplicates Z: 32 25.746 1.953 0.569 0.611 0.935 0.548 CB 1.452 33 residues pruned to eliminate duplicates Z: 35 25.889 1.979 0.621 0.574 0.941 0.500 CB 1.368 35 residues pruned to eliminate duplicates Z: 36 24.092 1.938 0.611 0.570 0.886 0.514 CB 1.376 36 residues pruned to eliminate duplicates Z: 31 20.006 1.877 0.510 0.532 0.933 0.667 CB 1.338 31 residues pruned to eliminate duplicates Z: 41 21.371 1.854 0.528 0.496 0.950 0.525 CB 1.260 41 residues pruned to eliminate duplicates Z: 33 17.649 1.820 0.583 0.519 0.906 0.719 CB 1.173 33 residues pruned to eliminate duplicates Z: 39 24.479 1.930 0.643 0.541 0.895 0.632 CB 1.344 46 residues pruned to eliminate duplicates Z: 26 21.842 1.943 0.584 0.622 0.920 0.680 CB 1.375 26 residues pruned to eliminate duplicates Z: 38 23.449 1.962 0.578 0.568 0.865 0.676 CB 1.349 38 residues pruned to eliminate duplicates Z: 36 25.339 1.948 0.584 0.582 0.914 0.600 CB 1.403 36 residues pruned to eliminate duplicates Z: 46 22.984 1.904 0.449 0.517 0.933 0.667 CB 1.308 46 residues pruned to eliminate duplicates Z: 26 21.561 1.949 0.581 0.647 0.880 0.640 CB 1.387 26 residues pruned to eliminate duplicates Z: 33 20.745 1.835 0.606 0.558 0.938 0.625 CB 1.254 33 residues pruned to eliminate duplicates Z: 36 26.460 1.979 0.625 0.586 0.914 0.571 CB 1.401 36 residues pruned to eliminate duplicates Z: 14 22.791 2.053 0.549 0.842 1.000 0.769 CA 1.481 14 residues pruned to eliminate duplicates Z: 16 19.656 1.879 0.583 0.804 0.933 0.733 CA 1.403 16 residues pruned to eliminate duplicates Z: 16 17.601 1.908 0.485 0.799 0.933 0.867 CB 1.322 16 residues pruned to eliminate duplicates Z: 15 20.883 1.916 0.731 0.926 0.929 0.714 CA 1.270 16 residues pruned to eliminate duplicates Z: 16 18.097 1.858 0.508 0.875 1.000 0.800 CA 1.213 16 residues pruned to eliminate duplicates Z: 19 18.187 1.798 0.530 0.711 0.944 0.778 CB 1.363 31 residues pruned to eliminate duplicates Z: 15 20.786 1.938 0.617 0.839 1.000 0.786 CB 1.323 15 residues pruned to eliminate duplicates Z: 16 18.069 1.888 0.656 0.796 0.933 0.800 CB 1.234 16 residues pruned to eliminate duplicates Z: 15 18.187 1.917 0.571 0.717 0.929 0.786 CA 1.429 15 residues pruned to eliminate duplicates Z: 15 23.824 1.969 0.685 0.857 1.000 0.857 CA 1.414 15 residues pruned to eliminate duplicates Z: 15 18.978 1.915 0.519 0.896 1.000 0.857 CA 1.250 15 residues pruned to eliminate duplicates Z: 15 19.602 1.925 0.588 0.865 0.929 0.857 CA 1.352 15 residues pruned to eliminate duplicates Z: 9 2.635 1.365 0.027 0.447 0.750 0.375 CB 0.936 14 residues pruned to eliminate duplicates Z: 9 8.893 1.489 0.505 0.792 1.000 0.625 CB 1.086 9 residues pruned to eliminate duplicates Z: 16 11.839 1.710 0.445 0.557 0.867 0.733 CB 1.350 16 residues pruned to eliminate duplicates Z: 17 10.343 1.738 0.442 0.479 0.938 0.750 CB 1.124 17 residues pruned to eliminate duplicates Z: 23 16.348 1.822 0.513 0.403 0.955 0.500 CB 1.467 42 residues pruned to eliminate duplicates Z: 17 10.073 1.763 0.262 0.460 0.938 0.750 CB 1.258 17 residues pruned to eliminate duplicates Z: 16 12.041 1.854 0.369 0.456 0.933 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 14 11.001 1.859 0.190 0.486 0.923 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 16 11.358 1.768 0.287 0.499 0.933 0.600 CB 1.382 16 residues pruned to eliminate duplicates Z: 16 11.450 1.858 0.396 0.426 0.933 0.467 CB 1.318 16 residues pruned to eliminate duplicates Z: 14 11.119 1.846 0.364 0.450 0.923 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 15 10.479 1.761 0.454 0.439 1.000 0.714 CB 1.164 15 residues pruned to eliminate duplicates Z: 19 8.428 1.792 0.337 0.314 0.944 0.389 CB 1.078 19 residues pruned to eliminate duplicates Z: 14 9.660 1.792 0.426 0.425 1.000 0.538 CB 1.134 14 residues pruned to eliminate duplicates Z: 31 19.677 1.879 0.407 0.605 0.867 0.700 CB 1.419 31 residues pruned to eliminate duplicates Z: 16 11.724 1.834 0.468 0.449 0.933 0.667 CB 1.271 16 residues pruned to eliminate duplicates Z: 17 8.246 1.771 0.239 0.286 0.938 0.562 CB 1.275 17 residues pruned to eliminate duplicates Z: 29 17.338 1.852 0.415 0.593 0.893 0.750 CB 1.281 29 residues pruned to eliminate duplicates Z: 15 11.035 1.820 0.204 0.526 1.000 0.786 CB 1.311 15 residues pruned to eliminate duplicates Z: 16 16.433 1.897 0.676 0.665 0.800 0.667 CA 1.432 16 residues pruned to eliminate duplicates Z: 14 23.998 2.013 0.689 0.829 0.923 0.846 CB 1.595 14 residues pruned to eliminate duplicates Z: 33 19.034 1.831 0.440 0.567 0.875 0.719 CB 1.367 33 residues pruned to eliminate duplicates Z: 17 15.248 1.972 0.548 0.671 0.750 0.375 CB 1.422 17 residues pruned to eliminate duplicates Z: 30 16.960 1.884 0.329 0.517 0.897 0.759 CB 1.379 30 residues pruned to eliminate duplicates Z: 25 19.571 1.824 0.675 0.655 0.792 0.625 CB 1.430 25 residues pruned to eliminate duplicates Z: 46 27.334 1.873 0.626 0.621 0.844 0.533 CB 1.413 46 residues pruned to eliminate duplicates Z: 17 17.451 1.888 0.715 0.674 0.875 0.562 CB 1.311 17 residues pruned to eliminate duplicates Z: 15 18.073 1.958 0.815 0.725 0.786 0.500 CB 1.413 15 residues pruned to eliminate duplicates Z: 16 23.536 1.871 0.835 0.891 0.867 0.533 CB 1.469 16 residues pruned to eliminate duplicates Z: 61 34.481 1.866 0.718 0.612 0.883 0.617 CB 1.414 61 residues pruned to eliminate duplicates Z: 14 13.840 1.879 0.744 0.772 0.846 0.385 CB 1.089 14 residues pruned to eliminate duplicates Z: 14 6.227 1.883 0.527 0.482 0.462 0.385 CB 1.325 14 residues pruned to eliminate duplicates Z: 17 8.041 1.733 0.408 0.396 0.688 0.375 CB 1.337 17 residues pruned to eliminate duplicates Z: 16 8.998 1.730 0.509 0.472 0.667 0.400 CB 1.373 16 residues pruned to eliminate duplicates Z: 50 27.809 1.890 0.640 0.516 0.878 0.490 CB 1.438 64 residues pruned to eliminate duplicates Z: 14 10.738 1.776 0.689 0.452 0.692 0.308 N 1.506 14 residues pruned to eliminate duplicates Z: 33 20.808 1.842 0.578 0.525 0.875 0.562 CB 1.410 33 residues pruned to eliminate duplicates Z: 35 19.891 1.862 0.384 0.532 0.882 0.529 N 1.454 35 residues pruned to eliminate duplicates Z: 34 22.455 1.842 0.568 0.517 0.939 0.636 CB 1.417 34 residues pruned to eliminate duplicates Z: 29 19.229 1.902 0.390 0.571 0.857 0.571 CB 1.496 29 residues pruned to eliminate duplicates Z: 31 18.013 1.758 0.676 0.462 0.867 0.467 CB 1.338 31 residues pruned to eliminate duplicates Z: 32 21.335 1.844 0.484 0.565 0.935 0.710 CA 1.405 32 residues pruned to eliminate duplicates Z: 36 21.483 1.822 0.686 0.515 0.857 0.600 CB 1.358 36 residues pruned to eliminate duplicates Z: 61 27.984 1.839 0.542 0.529 0.933 0.667 CB 1.327 61 residues pruned to eliminate duplicates Z: 32 23.926 1.846 0.617 0.598 0.903 0.581 CB 1.452 32 residues pruned to eliminate duplicates Z: 28 23.015 1.872 0.601 0.592 0.963 0.741 CB 1.406 28 residues pruned to eliminate duplicates Z: 33 13.910 1.745 0.461 0.429 0.781 0.500 CB 1.328 33 residues pruned to eliminate duplicates Z: 30 24.488 1.896 0.657 0.598 0.897 0.621 CA 1.470 30 residues pruned to eliminate duplicates Z: 34 23.227 1.823 0.723 0.537 0.909 0.576 CB 1.366 34 residues pruned to eliminate duplicates Z: 36 21.069 1.842 0.428 0.524 0.886 0.543 CB 1.493 36 residues pruned to eliminate duplicates Z: 32 23.420 1.875 0.600 0.571 0.903 0.645 CB 1.450 32 residues pruned to eliminate duplicates Z: 25 19.093 1.854 0.634 0.556 0.917 0.625 CB 1.328 25 residues pruned to eliminate duplicates Z: 30 22.739 1.869 0.572 0.603 0.931 0.690 CA 1.399 30 residues pruned to eliminate duplicates Z: 37 23.099 1.823 0.553 0.546 0.889 0.528 CB 1.463 37 residues pruned to eliminate duplicates Z: 33 22.430 1.835 0.621 0.592 0.906 0.781 CA 1.347 33 residues pruned to eliminate duplicates Z: 34 24.281 1.857 0.635 0.541 0.939 0.697 CB 1.424 34 residues pruned to eliminate duplicates Z: 32 20.226 1.797 0.675 0.583 0.871 0.677 CA 1.280 32 residues pruned to eliminate duplicates Z: 20 17.612 1.928 0.436 0.659 0.895 0.684 CA 1.408 20 residues pruned to eliminate duplicates Z: 20 20.185 1.934 0.562 0.662 0.947 0.737 CB 1.393 20 residues pruned to eliminate duplicates Z: 28 22.560 1.876 0.513 0.620 0.926 0.593 CA 1.476 28 residues pruned to eliminate duplicates Z: 33 22.353 1.848 0.579 0.575 0.906 0.625 CB 1.390 33 residues pruned to eliminate duplicates Z: 33 23.900 1.855 0.675 0.556 0.906 0.656 CB 1.421 33 residues pruned to eliminate duplicates Z: 33 26.428 1.839 0.701 0.589 0.969 0.656 CA 1.416 33 residues pruned to eliminate duplicates Z: 7 11.779 1.807 0.726 0.820 0.833 0.667 CB 1.403 8 residues pruned to eliminate duplicates Z: 7 9.399 1.842 0.526 0.784 0.833 0.333 CB 1.276 7 residues pruned to eliminate duplicates Z: 8 12.518 1.771 1.056 0.835 0.857 0.571 CB 1.136 7 residues pruned to eliminate duplicates Z: 8 7.907 1.697 0.927 0.847 0.714 0.429 CB 0.949 8 residues pruned to eliminate duplicates Z: 9 8.079 1.498 0.697 0.563 1.000 0.750 CA 1.057 8 residues pruned to eliminate duplicates Z: 12 18.630 1.897 0.545 0.822 1.000 0.818 CB 1.449 12 residues pruned to eliminate duplicates Z: 9 17.112 1.867 0.653 0.762 1.000 0.625 CB 1.553 9 residues pruned to eliminate duplicates Z: 11 18.110 1.990 0.453 0.781 1.000 0.600 CB 1.546 11 residues pruned to eliminate duplicates Z: 12 15.856 1.850 0.804 0.697 0.909 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 11 21.032 2.000 0.578 0.856 1.000 0.900 CB 1.555 12 residues pruned to eliminate duplicates Z: 12 17.345 1.822 0.577 0.785 1.000 0.636 CA 1.416 12 residues pruned to eliminate duplicates Z: 11 22.294 2.003 0.825 0.785 1.000 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 12 18.565 1.873 0.860 0.801 1.000 0.636 CB 1.235 12 residues pruned to eliminate duplicates Z: 10 14.883 1.922 0.535 0.747 1.000 0.556 CB 1.348 10 residues pruned to eliminate duplicates Z: 17 10.910 1.763 0.526 0.395 0.812 0.438 CB 1.394 17 residues pruned to eliminate duplicates Z: 17 8.670 1.725 0.244 0.419 0.875 0.562 CB 1.256 17 residues pruned to eliminate duplicates Z: 12 10.279 1.901 0.414 0.359 0.909 0.545 CB 1.477 12 residues pruned to eliminate duplicates Z: 22 13.669 1.952 0.472 0.362 0.810 0.571 CB 1.487 22 residues pruned to eliminate duplicates Z: 12 8.222 1.892 0.663 0.248 0.727 0.455 CB 1.448 12 residues pruned to eliminate duplicates Z: 14 7.394 1.788 0.309 0.308 0.769 0.538 CB 1.409 14 residues pruned to eliminate duplicates Z: 27 13.707 1.883 0.502 0.359 0.769 0.462 CB 1.438 27 residues pruned to eliminate duplicates Z: 14 7.667 1.716 0.494 0.217 0.846 0.538 N 1.368 14 residues pruned to eliminate duplicates Z: 17 10.719 1.949 0.581 0.250 0.750 0.625 CB 1.546 17 residues pruned to eliminate duplicates Z: 34 13.986 1.821 0.487 0.275 0.848 0.364 CB 1.368 34 residues pruned to eliminate duplicates Z: 27 12.386 1.861 0.542 0.274 0.769 0.385 CA 1.421 27 residues pruned to eliminate duplicates Z: 22 12.033 1.927 0.367 0.297 0.810 0.429 CB 1.545 22 residues pruned to eliminate duplicates Z: 36 21.813 1.950 0.502 0.446 0.857 0.571 CB 1.553 36 residues pruned to eliminate duplicates Z: 17 11.510 1.802 0.431 0.411 0.875 0.438 CB 1.400 17 residues pruned to eliminate duplicates Z: 26 11.240 1.812 0.310 0.285 0.880 0.440 CB 1.372 26 residues pruned to eliminate duplicates Z: 39 21.333 1.890 0.547 0.401 0.895 0.500 CA 1.468 39 residues pruned to eliminate duplicates Z: 49 20.030 1.872 0.446 0.437 0.896 0.562 CB 1.273 49 residues pruned to eliminate duplicates Z: 31 22.485 2.003 0.390 0.546 0.933 0.633 CB 1.510 31 residues pruned to eliminate duplicates Z: 45 23.692 1.952 0.446 0.401 0.909 0.591 CA 1.546 45 residues pruned to eliminate duplicates Z: 48 21.888 1.909 0.414 0.385 0.894 0.489 CB 1.496 48 residues pruned to eliminate duplicates Z: 13 9.164 1.987 0.167 0.418 0.917 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 24 17.673 1.962 0.379 0.462 0.913 0.565 CB 1.551 24 residues pruned to eliminate duplicates Z: 41 23.005 1.974 0.468 0.422 0.875 0.650 CB 1.555 41 residues pruned to eliminate duplicates Z: 43 18.628 1.886 0.496 0.416 0.762 0.476 CA 1.461 43 residues pruned to eliminate duplicates Z: 33 22.275 1.927 0.524 0.474 0.906 0.625 CB 1.520 33 residues pruned to eliminate duplicates Z: 32 22.337 1.990 0.482 0.485 0.871 0.613 CB 1.586 32 residues pruned to eliminate duplicates Z: 44 22.084 1.863 0.435 0.414 0.930 0.535 CB 1.481 44 residues pruned to eliminate duplicates Z: 31 21.301 2.039 0.471 0.496 0.867 0.500 CB 1.503 31 residues pruned to eliminate duplicates Z: 31 16.158 1.944 0.392 0.460 0.767 0.600 CB 1.481 31 residues pruned to eliminate duplicates Z: 22 18.537 1.968 0.530 0.540 0.905 0.810 CB 1.428 22 residues pruned to eliminate duplicates Z: 31 26.334 2.003 0.685 0.518 0.967 0.600 CB 1.447 31 residues pruned to eliminate duplicates Z: 31 23.589 2.014 0.457 0.538 0.933 0.600 CB 1.516 31 residues pruned to eliminate duplicates Z: 33 18.546 1.938 0.439 0.489 0.844 0.531 CB 1.408 33 residues pruned to eliminate duplicates Z: 23 20.170 1.997 0.395 0.536 0.955 0.636 CA 1.561 23 residues pruned to eliminate duplicates Z: 48 19.297 1.905 0.522 0.359 0.787 0.532 CB 1.436 48 residues pruned to eliminate duplicates Z: 44 19.972 1.895 0.521 0.396 0.814 0.558 CB 1.449 44 residues pruned to eliminate duplicates Z: 34 19.536 1.937 0.487 0.406 0.879 0.545 CB 1.483 34 residues pruned to eliminate duplicates Z: 24 18.845 1.958 0.564 0.442 0.957 0.652 CB 1.424 24 residues pruned to eliminate duplicates Z: 31 24.267 2.047 0.571 0.482 0.933 0.600 CB 1.503 31 residues pruned to eliminate duplicates Z: 25 16.120 1.946 0.603 0.345 0.875 0.500 CB 1.426 25 residues pruned to eliminate duplicates Z: 46 20.290 1.937 0.492 0.433 0.867 0.533 CB 1.295 46 residues pruned to eliminate duplicates Z: 50 19.204 1.890 0.470 0.360 0.837 0.490 CB 1.373 50 residues pruned to eliminate duplicates Z: 46 25.392 1.967 0.578 0.457 0.889 0.600 CB 1.434 46 residues pruned to eliminate duplicates Z: 46 19.902 1.947 0.520 0.435 0.778 0.467 CB 1.379 46 residues pruned to eliminate duplicates Z: 45 19.987 1.930 0.520 0.396 0.841 0.545 CB 1.363 45 residues pruned to eliminate duplicates Z: 43 21.850 2.015 0.468 0.450 0.881 0.571 CB 1.362 43 residues pruned to eliminate duplicates Z: 79 30.536 1.964 0.473 0.445 0.859 0.551 CB 1.472 79 residues pruned to eliminate duplicates Z: 36 23.075 1.933 0.655 0.485 0.886 0.571 CB 1.397 36 residues pruned to eliminate duplicates Z: 12 11.780 2.032 0.564 0.442 0.818 0.545 N 1.449 12 residues pruned to eliminate duplicates Z: 42 28.788 1.981 0.599 0.531 0.927 0.659 CB 1.486 42 residues pruned to eliminate duplicates Z: 37 22.634 1.909 0.551 0.564 0.889 0.694 CB 1.347 37 residues pruned to eliminate duplicates Z: 63 31.015 1.957 0.590 0.462 0.871 0.613 CB 1.511 63 residues pruned to eliminate duplicates Z: 61 29.540 1.987 0.564 0.440 0.883 0.600 CB 1.478 61 residues pruned to eliminate duplicates Z: 62 22.940 1.969 0.476 0.416 0.787 0.557 CB 1.402 62 residues pruned to eliminate duplicates Z: 40 26.841 2.000 0.600 0.538 0.897 0.667 CB 1.441 40 residues pruned to eliminate duplicates Z: 14 26.256 2.026 0.888 0.878 0.923 0.615 CA 1.497 14 residues pruned to eliminate duplicates Z: 16 26.010 2.002 1.016 0.766 0.867 0.600 CB 1.517 16 residues pruned to eliminate duplicates Z: 47 26.630 1.932 0.551 0.517 0.935 0.609 CB 1.378 47 residues pruned to eliminate duplicates Z: 34 23.869 1.908 0.598 0.600 0.879 0.515 CA 1.410 34 residues pruned to eliminate duplicates Z: 62 28.390 1.932 0.520 0.510 0.934 0.590 CB 1.311 62 residues pruned to eliminate duplicates Z: 56 29.441 1.954 0.601 0.493 0.927 0.600 CB 1.378 56 residues pruned to eliminate duplicates Z: 38 23.958 1.937 0.595 0.526 0.919 0.568 CB 1.352 38 residues pruned to eliminate duplicates Z: 61 28.311 1.907 0.498 0.574 0.950 0.550 CB 1.254 54 residues pruned to eliminate duplicates Z: 8 7.706 1.692 0.433 0.663 0.857 0.571 CA 1.204 Z: 7 7.328 1.749 0.270 0.638 1.000 0.500 CA 1.183 7 residues pruned to eliminate duplicates Z: 7 4.634 1.594 0.399 0.532 1.000 0.667 CA 0.822 8 residues pruned to eliminate duplicates Z: 10 6.261 1.808 0.167 0.617 1.000 0.667 CA 0.885 17 residues pruned to eliminate duplicates Z: 83 32.276 1.944 0.523 0.517 0.878 0.537 CB 1.347 84 residues pruned to eliminate duplicates Z: 9 9.973 1.957 0.326 0.760 1.000 0.625 CA 1.078 9 residues pruned to eliminate duplicates Z: 26 19.771 1.890 0.501 0.636 1.000 0.680 CB 1.227 28 residues pruned to eliminate duplicates Z: 14 12.170 1.666 0.521 0.813 1.000 0.538 CA 1.015 14 residues pruned to eliminate duplicates Z: 23 14.631 1.829 0.463 0.639 0.909 0.591 CB 1.126 23 residues pruned to eliminate duplicates Z: 22 13.566 1.859 0.295 0.646 0.952 0.714 CB 1.127 22 residues pruned to eliminate duplicates Z: 43 14.926 1.725 0.331 0.484 0.857 0.595 CB 1.189 43 residues pruned to eliminate duplicates Z: 19 17.153 1.835 0.568 0.680 0.944 0.778 CA 1.261 19 residues pruned to eliminate duplicates Z: 17 14.954 1.908 0.311 0.754 1.000 0.875 CB 1.192 17 residues pruned to eliminate duplicates Z: 30 17.641 1.835 0.398 0.596 0.966 0.690 CB 1.207 30 residues pruned to eliminate duplicates Z: 12 13.681 1.926 0.406 0.669 1.000 0.727 CB 1.303 12 residues pruned to eliminate duplicates Z: 51 28.184 1.907 0.442 0.625 0.940 0.580 CB 1.370 51 residues pruned to eliminate duplicates Z: 24 18.456 1.906 0.478 0.674 0.957 0.652 CA 1.217 24 residues pruned to eliminate duplicates Z: 26 19.334 1.858 0.466 0.665 1.000 0.720 CB 1.218 26 residues pruned to eliminate duplicates Z: 48 26.188 1.945 0.482 0.555 0.979 0.660 CB 1.283 48 residues pruned to eliminate duplicates Z: 19 14.420 1.902 0.426 0.712 0.944 0.611 CB 1.094 19 residues pruned to eliminate duplicates Z: 23 17.815 1.850 0.481 0.663 0.955 0.727 CB 1.249 23 residues pruned to eliminate duplicates Z: 36 18.953 1.891 0.362 0.563 0.914 0.629 CB 1.280 36 residues pruned to eliminate duplicates Z: 18 11.076 1.878 0.498 0.347 0.882 0.647 CB 1.278 18 residues pruned to eliminate duplicates Z: 50 24.888 1.937 0.510 0.529 0.918 0.633 CB 1.286 50 residues pruned to eliminate duplicates Z: 18 10.755 1.842 0.536 0.353 0.882 0.588 CB 1.225 18 residues pruned to eliminate duplicates Z: 103 33.579 1.889 0.589 0.464 0.892 0.461 CB 1.288 131 residues pruned to eliminate duplicates Z: 6 3.117 1.546 0.110 0.363 1.000 0.800 CA 0.941 6 residues pruned to eliminate duplicates Z: 18 7.124 1.850 0.451 0.216 0.647 0.471 CA 1.389 18 residues pruned to eliminate duplicates Z: 25 10.952 1.720 0.595 0.354 0.833 0.458 CB 1.145 25 residues pruned to eliminate duplicates Z: 15 10.023 1.889 0.681 0.321 0.857 0.429 CB 1.199 15 residues pruned to eliminate duplicates Z: 18 9.434 1.821 0.546 0.351 0.765 0.412 CB 1.249 18 residues pruned to eliminate duplicates Z: 13 11.172 2.019 0.736 0.324 0.833 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 8 9.128 1.952 0.498 0.190 1.000 0.286 N 1.709 8 residues pruned to eliminate duplicates Z: 41 17.867 1.846 0.659 0.410 0.850 0.450 CB 1.193 61 residues pruned to eliminate duplicates Z: 6 5.486 2.044 0.654 0.272 0.800 0.400 CB 1.175 6 residues pruned to eliminate duplicates Z: 34 14.926 1.856 0.488 0.350 0.879 0.485 CB 1.260 34 residues pruned to eliminate duplicates Z: 29 11.581 1.902 0.404 0.392 0.857 0.464 CB 1.072 29 residues pruned to eliminate duplicates Z: 8 5.162 1.946 0.784 0.213 0.857 0.571 CB 0.920 8 residues pruned to eliminate duplicates Z: 34 12.671 1.924 0.609 0.360 0.818 0.364 CB 1.013 34 residues pruned to eliminate duplicates Z: 52 23.343 1.919 0.595 0.472 0.922 0.490 CB 1.192 52 residues pruned to eliminate duplicates Z: 10 5.852 1.750 0.506 0.625 0.889 0.667 CB 0.740 Z: 10 10.265 1.896 0.452 0.784 0.778 0.556 CB 1.244 10 residues pruned to eliminate duplicates Z: 11 7.394 1.820 0.302 0.795 0.800 0.500 CB 0.953 11 residues pruned to eliminate duplicates Z: 17 15.443 2.030 0.416 0.496 0.938 0.438 CB 1.439 10 residues pruned to eliminate duplicates Z: 11 11.259 1.868 0.361 0.707 1.000 0.600 CB 1.160 11 residues pruned to eliminate duplicates Z: 127 39.660 1.950 0.547 0.476 0.881 0.603 CB 1.362 127 residues pruned to eliminate duplicates Z: 19 14.997 1.900 0.498 0.409 0.833 0.500 CB 1.639 17 residues pruned to eliminate duplicates Z: 10 16.399 2.013 0.445 0.802 1.000 0.667 CB 1.443 10 residues pruned to eliminate duplicates Z: 18 9.348 1.983 0.114 0.438 0.824 0.412 CB 1.329 18 residues pruned to eliminate duplicates Z: 12 10.186 1.919 0.434 0.353 0.909 0.455 CB 1.440 12 residues pruned to eliminate duplicates Z: 13 6.020 1.633 0.394 0.206 0.833 0.583 N 1.298 13 residues pruned to eliminate duplicates Z: 8 3.551 1.779 0.341 0.202 0.857 0.286 N 0.935 8 residues pruned to eliminate duplicates Z: 8 7.566 1.972 0.187 0.361 1.000 0.857 CB 1.419 9 residues pruned to eliminate duplicates Z: 8 8.007 1.793 0.249 0.437 1.000 0.571 N 1.442 8 residues pruned to eliminate duplicates Z: 9 7.628 1.723 0.184 0.590 1.000 1.000 CA 1.213 7 residues pruned to eliminate duplicates Z: 7 7.879 2.032 0.237 0.355 1.000 0.500 CB 1.498 7 residues pruned to eliminate duplicates Z: 32 20.430 1.977 0.394 0.566 0.935 0.710 CB 1.335 46 residues pruned to eliminate duplicates Z: 6 5.051 1.735 0.623 0.442 0.600 0.400 O 1.418 6 residues pruned to eliminate duplicates Z: 29 24.660 2.063 0.788 0.611 0.893 0.607 CB 1.273 28 residues pruned to eliminate duplicates Z: 8 11.616 1.927 1.071 0.495 0.857 0.571 CB 1.289 8 residues pruned to eliminate duplicates Z: 13 9.933 1.988 0.574 0.358 0.917 0.667 CB 1.164 13 residues pruned to eliminate duplicates Z: 30 18.776 1.990 0.471 0.576 0.862 0.552 CB 1.284 30 residues pruned to eliminate duplicates Z: 27 27.178 2.084 0.629 0.651 0.962 0.615 CB 1.419 26 residues pruned to eliminate duplicates Z: 6 5.545 1.586 1.016 0.590 0.800 0.400 CA 0.890 6 residues pruned to eliminate duplicates Z: 32 25.707 2.009 0.676 0.616 0.871 0.677 CB 1.411 30 residues pruned to eliminate duplicates Z: 17 16.140 1.981 0.266 0.796 1.000 0.688 CA 1.241 18 residues pruned to eliminate duplicates Z: 16 23.036 1.951 0.756 0.756 0.933 0.733 CA 1.481 16 residues pruned to eliminate duplicates Z: 13 22.983 2.074 0.603 0.910 1.000 1.000 CB 1.415 13 residues pruned to eliminate duplicates Z: 29 23.487 2.043 0.490 0.633 1.000 0.786 CB 1.287 29 residues pruned to eliminate duplicates Z: 13 22.460 2.053 0.526 0.921 1.000 1.000 CA 1.457 13 residues pruned to eliminate duplicates Z: 28 23.531 2.061 0.534 0.603 1.000 0.593 CB 1.298 28 residues pruned to eliminate duplicates Z: 30 21.725 2.010 0.599 0.604 0.931 0.828 CB 1.222 30 residues pruned to eliminate duplicates Z: 18 23.487 1.991 0.630 0.758 0.941 0.706 CB 1.483 18 residues pruned to eliminate duplicates Z: 24 17.360 1.871 0.426 0.636 0.913 0.609 CB 1.308 24 residues pruned to eliminate duplicates Z: 20 18.862 1.924 0.398 0.710 0.895 0.684 CA 1.486 20 residues pruned to eliminate duplicates Z: 30 23.138 2.005 0.567 0.609 1.000 0.690 CB 1.233 30 residues pruned to eliminate duplicates Z: 14 22.388 2.060 0.740 0.759 0.923 0.692 CB 1.490 14 residues pruned to eliminate duplicates Z: 28 19.361 1.999 0.638 0.596 0.926 0.741 CB 1.122 28 residues pruned to eliminate duplicates Z: 31 22.751 1.993 0.742 0.606 0.933 0.600 CB 1.159 31 residues pruned to eliminate duplicates Z: 36 25.336 1.978 0.595 0.613 0.914 0.657 CB 1.334 36 residues pruned to eliminate duplicates Z: 10 13.399 1.835 0.768 0.807 0.778 0.667 CB 1.354 10 residues pruned to eliminate duplicates Z: 12 11.207 1.780 0.580 0.681 0.727 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 10 16.832 2.052 0.667 0.807 0.889 0.667 CB 1.412 10 residues pruned to eliminate duplicates Z: 12 8.885 1.887 0.561 0.645 0.727 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 17 18.042 1.867 0.636 0.790 0.875 0.750 CA 1.307 17 residues pruned to eliminate duplicates Z: 17 21.636 1.854 0.699 0.874 0.875 0.688 CB 1.428 17 residues pruned to eliminate duplicates Z: 16 23.688 1.918 0.778 0.904 0.933 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 17 21.326 1.818 0.712 0.898 0.938 0.688 CB 1.307 17 residues pruned to eliminate duplicates Z: 45 32.216 1.961 0.602 0.694 0.955 0.773 CB 1.357 45 residues pruned to eliminate duplicates Z: 18 22.246 1.829 1.002 0.813 0.882 0.588 CB 1.273 18 residues pruned to eliminate duplicates Z: 21 18.606 1.710 0.616 0.736 0.950 0.700 CB 1.283 21 residues pruned to eliminate duplicates Z: 17 21.964 1.817 0.880 0.818 0.938 0.625 CB 1.301 17 residues pruned to eliminate duplicates Z: 9 8.971 1.665 0.892 0.644 0.875 0.500 N 1.006 9 residues pruned to eliminate duplicates Z: 12 7.252 1.550 0.500 0.538 0.909 0.273 CB 0.996 12 residues pruned to eliminate duplicates Z: 17 14.323 1.754 0.747 0.594 0.875 0.625 CB 1.221 6 residues pruned to eliminate duplicates Z: 7 12.816 1.736 0.979 0.781 1.000 0.333 CA 1.189 7 residues pruned to eliminate duplicates Z: 46 25.059 1.929 0.428 0.590 0.933 0.600 CB 1.333 17 residues pruned to eliminate duplicates Z: 23 21.848 1.965 0.538 0.745 0.909 0.818 CB 1.362 23 residues pruned to eliminate duplicates Z: 48 25.749 1.986 0.407 0.542 0.936 0.596 CB 1.378 31 residues pruned to eliminate duplicates Z: 18 25.495 2.109 0.314 0.831 1.000 0.941 CB 1.675 18 residues pruned to eliminate duplicates Z: 29 20.160 1.991 0.401 0.634 0.964 0.750 CB 1.249 29 residues pruned to eliminate duplicates Z: 14 18.532 2.099 0.441 0.599 1.000 0.769 CA 1.546 14 residues pruned to eliminate duplicates Z: 9 16.164 2.331 0.344 0.632 1.000 0.875 CA 1.611 9 residues pruned to eliminate duplicates Z: 32 23.101 1.989 0.432 0.593 0.968 0.677 CB 1.377 32 residues pruned to eliminate duplicates Z: 35 22.186 1.951 0.384 0.548 0.941 0.647 CA 1.428 35 residues pruned to eliminate duplicates Z: 24 22.464 2.062 0.464 0.631 0.957 0.696 CB 1.435 24 residues pruned to eliminate duplicates Z: 31 24.154 2.054 0.444 0.613 0.967 0.767 CB 1.382 31 residues pruned to eliminate duplicates Z: 31 22.440 1.977 0.614 0.582 0.933 0.633 CB 1.271 31 residues pruned to eliminate duplicates Z: 27 24.517 2.091 0.390 0.648 0.962 0.692 CB 1.499 27 residues pruned to eliminate duplicates Z: 31 23.920 2.058 0.463 0.643 0.967 0.733 CB 1.312 31 residues pruned to eliminate duplicates Z: 32 24.064 2.047 0.588 0.599 0.935 0.677 CB 1.294 32 residues pruned to eliminate duplicates Z: 41 24.518 1.939 0.589 0.547 0.950 0.625 CB 1.265 41 residues pruned to eliminate duplicates Z: 26 24.335 2.090 0.511 0.645 1.000 0.760 CB 1.346 26 residues pruned to eliminate duplicates Z: 28 23.406 2.060 0.408 0.633 1.000 0.741 CB 1.371 28 residues pruned to eliminate duplicates Z: 25 24.000 2.096 0.458 0.659 1.000 0.750 CB 1.383 25 residues pruned to eliminate duplicates Z: 27 28.320 2.124 0.520 0.668 1.000 0.692 CA 1.472 27 residues pruned to eliminate duplicates Z: 24 25.630 2.095 0.558 0.663 1.000 0.739 CB 1.407 24 residues pruned to eliminate duplicates Z: 26 24.508 2.097 0.502 0.639 0.960 0.680 CB 1.424 26 residues pruned to eliminate duplicates Z: 26 25.594 2.105 0.513 0.641 1.000 0.680 CB 1.408 26 residues pruned to eliminate duplicates Z: 25 22.997 2.088 0.451 0.661 1.000 0.750 CB 1.334 25 residues pruned to eliminate duplicates Z: 6 6.059 1.979 0.220 0.614 1.000 0.800 CB 1.007 6 residues pruned to eliminate duplicates Z: 8 6.857 1.996 -0.007 0.763 1.000 0.857 CB 1.036 8 residues pruned to eliminate duplicates Z: 102 37.466 1.984 0.526 0.490 0.871 0.554 CB 1.427 102 residues pruned to eliminate duplicates Z: 33 20.357 2.035 0.375 0.528 0.906 0.594 CB 1.380 33 residues pruned to eliminate duplicates Z: 17 14.176 1.924 0.456 0.446 1.000 0.438 CB 1.338 17 residues pruned to eliminate duplicates Z: 12 18.021 2.049 0.745 0.665 0.909 0.545 CB 1.435 12 residues pruned to eliminate duplicates Z: 16 13.897 1.940 0.581 0.450 0.800 0.267 CA 1.539 16 residues pruned to eliminate duplicates Z: 9 18.130 2.138 0.786 0.586 0.875 0.500 CB 1.767 9 residues pruned to eliminate duplicates Z: 24 18.370 2.074 0.557 0.440 0.913 0.478 CB 1.382 12 residues pruned to eliminate duplicates Z: 11 23.873 1.992 1.048 0.746 1.000 0.300 CA 1.485 11 residues pruned to eliminate duplicates Z: 11 13.561 2.091 0.715 0.484 0.800 0.500 CB 1.518 11 residues pruned to eliminate duplicates Z: 26 19.638 2.009 0.768 0.384 0.920 0.560 CB 1.360 27 residues pruned to eliminate duplicates Z: 11 23.708 2.053 1.017 0.790 0.900 0.700 CB 1.560 11 residues pruned to eliminate duplicates Z: 25 16.541 2.044 0.679 0.384 0.833 0.458 CB 1.336 25 residues pruned to eliminate duplicates Z: 26 16.417 2.082 0.475 0.395 0.840 0.480 CB 1.422 26 residues pruned to eliminate duplicates Z: 22 15.417 2.090 0.624 0.419 0.905 0.429 CB 1.192 22 residues pruned to eliminate duplicates Z: 27 16.669 1.989 0.577 0.365 0.885 0.423 CB 1.362 27 residues pruned to eliminate duplicates Z: 7 2.860 1.779 0.637 0.252 0.500 0.000 CB 1.066 7 residues pruned to eliminate duplicates Z: 22 16.515 2.088 0.500 0.465 0.810 0.476 CB 1.473 22 residues pruned to eliminate duplicates Z: 6 6.227 1.861 0.843 0.422 1.000 0.600 CA 0.881 6 residues pruned to eliminate duplicates Z: 12 16.431 2.126 0.762 0.461 1.000 0.636 CB 1.376 12 residues pruned to eliminate duplicates Z: 6 3.929 1.648 0.635 0.232 0.800 0.800 CA 1.114 6 residues pruned to eliminate duplicates Z: 9 14.501 2.097 0.780 0.567 1.000 0.750 CB 1.288 8 residues pruned to eliminate duplicates Z: 6 3.694 1.420 0.239 0.422 1.000 1.000 CB 1.018 Z: 6 5.355 1.731 1.070 0.407 0.800 0.800 CA 0.921 Z: 6 6.134 2.027 0.478 0.314 0.800 0.600 CB 1.406 6 residues pruned to eliminate duplicates 6 1.570 1.330 0.613 0.482 0.400 0.000 N 0.833 ? Z: 9 6.242 1.748 0.196 0.479 0.875 0.375 N 1.232 7 residues pruned to eliminate duplicates Z: 15 8.321 1.593 0.282 0.583 0.857 0.357 N 1.174 15 residues pruned to eliminate duplicates Z: 21 9.544 1.867 0.231 0.364 0.850 0.600 CB 1.264 17 residues pruned to eliminate duplicates Z: 6 2.024 1.658 -0.169 0.463 0.600 0.200 CB 1.137 6 residues pruned to eliminate duplicates Z: 14 9.671 1.722 0.333 0.401 0.923 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 11 11.347 1.747 0.469 0.502 1.000 0.800 N 1.396 Z: 7 5.849 1.567 0.628 0.410 1.000 0.333 CA 1.028 18 residues pruned to eliminate duplicates Z: 20 7.818 1.696 0.223 0.319 0.842 0.368 CB 1.254 Z: 8 3.434 1.468 -0.007 0.426 0.714 0.143 CA 1.347 8 residues pruned to eliminate duplicates Z: 26 9.289 1.728 0.426 0.395 0.640 0.360 CB 1.316 13 residues pruned to eliminate duplicates Z: 17 15.368 1.829 0.398 0.736 0.938 0.625 CB 1.297 19 residues pruned to eliminate duplicates Z: 14 15.554 1.874 0.541 0.814 0.846 0.692 CB 1.344 14 residues pruned to eliminate duplicates Z: 13 6.667 1.700 0.382 0.574 0.750 0.417 CB 1.017 8 residues pruned to eliminate duplicates Z: 13 18.575 2.003 0.295 0.928 1.000 1.000 CB 1.448 37 residues pruned to eliminate duplicates Z: 10 9.862 1.796 0.210 0.863 0.889 0.778 CB 1.248 10 residues pruned to eliminate duplicates Z: 20 14.585 1.832 0.685 0.603 0.789 0.632 CB 1.245 20 residues pruned to eliminate duplicates Z: 20 17.053 1.912 0.618 0.704 0.842 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 14 20.766 1.868 0.587 0.854 1.000 0.615 CB 1.435 14 residues pruned to eliminate duplicates Z: 15 17.531 1.862 0.651 0.792 0.929 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 14 17.407 1.823 0.539 0.712 0.923 0.615 CB 1.538 13 residues pruned to eliminate duplicates Z: 20 17.993 1.701 0.746 0.852 1.000 0.579 CB 1.028 16 residues pruned to eliminate duplicates Z: 14 19.394 1.845 0.627 0.892 1.000 0.923 CB 1.287 14 residues pruned to eliminate duplicates Z: 8 3.604 1.580 0.391 0.349 0.714 0.286 CB 1.022 7 residues pruned to eliminate duplicates Z: 7 6.460 1.578 0.035 0.737 1.000 0.500 N 1.305 7 residues pruned to eliminate duplicates Z: 9 6.492 1.635 0.409 0.454 0.875 0.375 CB 1.194 9 residues pruned to eliminate duplicates Z: 10 5.058 1.632 0.369 0.440 0.778 0.333 CB 1.032 10 residues pruned to eliminate duplicates Z: 9 8.706 1.704 0.329 0.522 1.000 0.500 CB 1.329 10 residues pruned to eliminate duplicates Z: 8 6.545 1.656 0.167 0.595 0.857 0.429 CB 1.365 8 residues pruned to eliminate duplicates Z: 18 7.441 1.672 0.184 0.466 0.941 0.529 CB 1.003 18 residues pruned to eliminate duplicates Z: 19 9.440 1.685 0.385 0.444 0.944 0.778 CB 1.069 19 residues pruned to eliminate duplicates Z: 16 4.386 1.588 0.084 0.222 0.800 0.533 CB 1.138 16 residues pruned to eliminate duplicates Z: 18 4.810 1.575 0.046 0.301 0.824 0.647 CB 1.073 18 residues pruned to eliminate duplicates Z: 18 8.195 1.656 0.133 0.452 0.941 0.471 CB 1.182 18 residues pruned to eliminate duplicates Z: 18 7.581 1.589 0.339 0.439 0.824 0.529 CB 1.117 18 residues pruned to eliminate duplicates Z: 24 11.757 1.753 0.350 0.454 0.870 0.696 CB 1.249 24 residues pruned to eliminate duplicates Z: 7 3.956 1.686 0.063 0.523 0.833 0.667 CB 1.058 7 residues pruned to eliminate duplicates Z: 7 4.738 1.691 0.040 0.545 1.000 0.667 CB 1.052 7 residues pruned to eliminate duplicates Z: 23 10.406 1.743 0.284 0.440 0.864 0.682 CB 1.222 23 residues pruned to eliminate duplicates Z: 23 13.317 1.776 0.375 0.451 0.909 0.591 CB 1.346 23 residues pruned to eliminate duplicates Z: 6 6.616 1.650 0.266 0.570 1.000 0.200 N 1.324 6 residues pruned to eliminate duplicates Z: 16 9.424 1.786 0.349 0.409 0.867 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 16 10.942 1.803 0.401 0.391 0.933 0.667 CB 1.345 16 residues pruned to eliminate duplicates Z: 16 10.739 1.800 0.400 0.431 0.933 0.600 CB 1.266 16 residues pruned to eliminate duplicates Z: 23 10.486 1.753 0.346 0.436 0.818 0.636 CB 1.238 23 residues pruned to eliminate duplicates Z: 31 10.232 1.711 0.240 0.343 0.867 0.533 CB 1.206 31 residues pruned to eliminate duplicates Z: 12 9.567 1.795 0.476 0.427 0.909 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 35 12.878 1.739 0.344 0.429 0.853 0.588 CB 1.192 35 residues pruned to eliminate duplicates Z: 23 12.549 1.734 0.485 0.450 0.864 0.682 CB 1.267 23 residues pruned to eliminate duplicates Z: 8 12.430 1.713 0.624 0.862 1.000 0.857 CA 1.240 8 residues pruned to eliminate duplicates Z: 8 10.037 1.714 0.467 0.727 1.000 0.857 N 1.229 8 residues pruned to eliminate duplicates Z: 10 6.234 1.491 0.704 0.651 0.778 0.556 CA 0.914 10 residues pruned to eliminate duplicates Z: 8 11.292 1.714 0.448 0.816 1.000 0.857 CA 1.307 8 residues pruned to eliminate duplicates Z: 8 8.713 1.645 0.390 0.722 1.000 0.714 CA 1.179 8 residues pruned to eliminate duplicates Z: 8 7.084 1.729 0.153 0.775 0.857 0.571 CA 1.229 8 residues pruned to eliminate duplicates 777 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 10 D: 7 E: 8 F: 17 G: 10 H: 10 I: 6 J: 12 K: 9 L: 11 M: 6 N: 27 O: 20 P: 16 Q: 7 R: 34 S: 10 T: 13 U: 10 V: 27 W: 14 X: 139 Y: 13 Z: 10 Z: 11 Z: 19 Z: 29 Z: 152 Z: 28 Z: 20 Z: 22 Z: 35 CC for partial structure against native data = 26.84 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.423, Connect. = 0.698 for dens.mod. cycle 1 = 0.300, Contrast = 0.487, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.576, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.598, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.609, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.613, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.615, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.616, Connect. = 0.766 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.98 - 3.95 - 3.45 - 3.13 - 2.91 - 2.73 - 2.60 - 2.48 - 2.39 - 2.30 0.691 0.733 0.716 0.692 0.668 0.626 0.601 0.574 0.543 0.537 0.817 0.882 0.871 0.858 0.842 0.794 0.756 0.723 0.682 0.676 N 5883 5915 5869 6011 5760 6231 5587 6313 5590 5668 Estimated mean FOM = 0.639 Pseudo-free CC = 66.54 % Best trace (cycle 2 with CC 31.37%) was saved as ./2obn-2.3-parrot-noncs/2obn-2.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 4.2 - FFTs and peak-searches 22.0 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1214.1 - Tripeptide search 6648.7 - Chain tracing 0.0 - NCS analysis 57.0 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:39:00 Total time: 7947.22 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 133.21 Used memory is bytes: 60491504