++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:52:59 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: ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.ins Phases from ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.phi Native data from ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.hkl Listing output to ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.lst Phases output to ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.phs Poly-Ala trace output to ./1vkn-2.5-parrot-noncs/1vkn-2.5-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 52490 Reflections read from file ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.phi 52490 Reflections read from file ./1vkn-2.5-parrot-noncs/1vkn-2.5-parrot-noncs.hkl 52490 Unique data, highest resolution = 2.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000687h^2 -0.000191k^2 +0.000192l^2 +0.000000kl +0.001176hl +0.000000hk 493 Reflections with d > 2.650 and 0 in range 2.650 > d > 2.450 added Density sharpening factor set to 0.07 Fourier grid = 128 x 128 x 63 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|> = 0.736 = 0.300, Contrast = 0.183, Connect. = 0.522 for dens.mod. cycle 1 = 0.300, Contrast = 0.362, Connect. = 0.591 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.681 for dens.mod. cycle 3 = 0.300, Contrast = 0.615, Connect. = 0.703 for dens.mod. cycle 4 = 0.300, Contrast = 0.640, Connect. = 0.714 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.721 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.726 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.732 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.734 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3729 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1141 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 4.475 1.819 0.182 0.293 0.909 0.727 CB 0.871 B: 14 25.982 2.028 1.113 0.862 0.923 0.769 CB 1.338 C: 16 23.009 1.865 1.126 0.883 0.933 0.800 CB 1.161 16 residues pruned to eliminate duplicates D: 14 25.837 1.953 1.078 0.907 1.000 0.923 CB 1.255 14 residues pruned to eliminate duplicates E: 16 16.986 1.802 0.556 0.924 1.000 0.933 CB 1.098 F: 14 5.963 1.586 0.383 0.387 0.769 0.538 CB 1.105 G: 8 10.022 1.802 0.798 0.535 0.857 0.429 CA 1.318 H: 6 7.139 1.635 0.672 0.692 1.000 0.800 N 0.980 I: 7 10.849 1.973 0.577 0.558 0.833 0.833 CB 1.614 7 residues pruned to eliminate duplicates J: 35 23.950 1.798 0.769 0.563 0.912 0.676 CB 1.332 K: 16 24.088 1.821 1.020 0.863 1.000 0.733 CB 1.241 16 residues pruned to eliminate duplicates L: 17 24.948 1.894 0.723 0.827 1.000 0.625 CB 1.440 M: 35 22.517 1.823 0.689 0.570 0.882 0.618 CB 1.328 35 residues pruned to eliminate duplicates N: 16 10.831 1.798 0.513 0.785 0.933 0.600 CB 0.857 O: 16 17.936 1.850 0.526 0.768 0.933 0.467 CB 1.386 16 residues pruned to eliminate duplicates P: 15 23.411 1.890 0.877 0.799 1.000 0.714 CB 1.357 14 residues pruned to eliminate duplicates Q: 15 13.307 1.776 0.562 0.835 0.929 0.714 CB 1.034 15 residues pruned to eliminate duplicates R: 16 24.431 1.822 1.163 0.871 1.000 0.800 CB 1.167 17 residues pruned to eliminate duplicates S: 10 12.464 2.005 0.921 0.532 0.889 0.444 CB 1.176 8 residues pruned to eliminate duplicates T: 6 2.596 1.807 -0.222 0.381 0.800 0.800 CB 1.171 U: 14 9.327 1.825 0.356 0.434 0.923 0.692 CB 1.213 12 residues pruned to eliminate duplicates V: 19 15.348 1.783 0.610 0.599 0.889 0.778 CB 1.290 W: 23 22.241 1.964 0.955 0.575 0.818 0.545 CB 1.405 20 residues pruned to eliminate duplicates X: 9 13.432 1.785 0.534 0.879 1.000 0.750 CB 1.257 9 residues pruned to eliminate duplicates Y: 15 16.470 1.878 0.213 0.851 1.000 0.857 CA 1.430 15 residues pruned to eliminate duplicates Z: 15 11.335 1.661 0.378 0.888 1.000 0.857 CB 0.954 Z: 13 25.549 2.052 0.951 0.869 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 16 12.757 1.511 0.640 0.790 0.867 0.733 CA 1.189 Z: 45 23.332 1.774 0.723 0.529 0.955 0.705 CB 1.171 Z: 7 6.162 1.585 0.391 0.711 1.000 0.833 CB 0.942 7 residues pruned to eliminate duplicates Z: 15 21.410 1.886 0.917 0.888 1.000 0.857 CB 1.140 15 residues pruned to eliminate duplicates Z: 34 14.956 1.699 0.520 0.471 0.879 0.545 CB 1.181 Z: 10 14.429 1.780 0.550 0.819 1.000 0.778 CB 1.322 10 residues pruned to eliminate duplicates Z: 23 19.246 1.866 0.803 0.527 0.864 0.591 CB 1.375 14 residues pruned to eliminate duplicates Z: 15 19.199 1.893 0.431 0.844 0.929 0.786 CA 1.518 15 residues pruned to eliminate duplicates Z: 12 9.025 1.779 0.446 0.817 0.818 0.455 CB 0.981 Z: 16 21.764 1.850 0.896 0.863 1.000 0.800 CB 1.175 16 residues pruned to eliminate duplicates Z: 7 5.619 1.648 0.399 0.506 0.833 0.667 CB 1.187 Z: 8 10.213 1.809 0.466 0.909 1.000 1.000 CB 1.033 8 residues pruned to eliminate duplicates Z: 16 23.199 1.819 0.785 0.848 0.933 0.800 CB 1.466 Z: 12 13.134 1.692 0.824 0.688 0.909 0.818 CB 1.188 12 residues pruned to eliminate duplicates Z: 26 18.471 1.870 0.966 0.598 0.840 0.680 CB 1.089 26 residues pruned to eliminate duplicates Z: 16 17.289 1.748 0.508 0.818 0.933 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 17 19.817 1.677 0.547 0.821 1.000 0.812 CB 1.446 17 residues pruned to eliminate duplicates Z: 37 20.050 1.819 0.502 0.497 0.889 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 15 17.776 1.824 0.906 0.749 0.857 0.643 CB 1.276 15 residues pruned to eliminate duplicates Z: 34 23.408 1.776 0.646 0.583 0.970 0.697 CB 1.328 34 residues pruned to eliminate duplicates Z: 16 14.403 1.774 0.717 0.898 1.000 0.733 CB 0.873 16 residues pruned to eliminate duplicates Z: 17 13.765 1.761 0.547 0.831 0.938 0.812 CB 1.012 17 residues pruned to eliminate duplicates Z: 11 10.172 1.825 0.505 0.571 0.900 0.700 CB 1.214 Z: 16 5.750 1.531 0.320 0.373 0.867 0.667 CB 0.971 Z: 7 7.217 1.612 0.998 0.839 0.500 0.500 C 1.367 Z: 16 18.806 1.855 0.380 0.849 1.000 0.933 CA 1.406 16 residues pruned to eliminate duplicates Z: 8 7.821 1.457 0.511 0.792 0.857 0.857 N 1.213 7 residues pruned to eliminate duplicates Z: 10 15.539 1.706 0.660 0.823 1.000 0.778 CB 1.382 10 residues pruned to eliminate duplicates Z: 14 19.685 1.898 0.509 0.772 1.000 0.923 CA 1.499 14 residues pruned to eliminate duplicates Z: 7 12.323 1.605 1.065 0.836 1.000 0.667 CA 1.136 7 residues pruned to eliminate duplicates Z: 10 12.417 1.669 0.458 0.883 1.000 0.889 CB 1.230 Z: 17 16.991 1.750 0.533 0.898 0.938 0.812 CB 1.208 18 residues pruned to eliminate duplicates Z: 15 16.896 1.884 1.025 0.596 0.929 0.714 CB 1.163 Z: 15 7.132 1.623 0.173 0.448 0.857 0.357 N 1.232 9 residues pruned to eliminate duplicates Z: 13 10.771 1.776 0.672 0.350 0.917 0.500 CB 1.344 Z: 17 14.208 1.613 0.827 0.861 0.938 0.812 CB 0.945 Z: 6 3.341 1.314 0.930 0.528 0.800 0.600 CB 0.717 Z: 24 22.820 1.942 1.005 0.578 0.870 0.565 CB 1.303 21 residues pruned to eliminate duplicates Z: 12 17.228 1.776 1.061 0.874 0.909 0.909 CB 1.136 12 residues pruned to eliminate duplicates Z: 16 15.074 1.731 0.307 0.823 0.933 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 25 21.779 1.804 0.824 0.622 0.958 0.583 CB 1.257 10 residues pruned to eliminate duplicates Z: 14 3.576 1.521 0.382 0.327 0.769 0.462 CB 0.742 14 residues pruned to eliminate duplicates Z: 6 4.191 1.545 0.775 0.670 1.000 0.400 CB 0.584 Z: 13 15.946 1.911 0.636 0.892 1.000 0.917 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 12.107 1.752 0.433 0.893 1.000 0.833 CB 0.999 14 residues pruned to eliminate duplicates Z: 7 6.141 1.516 0.564 0.704 0.833 0.500 N 1.054 Z: 16 22.584 1.844 0.623 0.820 1.000 0.600 CB 1.476 16 residues pruned to eliminate duplicates Z: 47 19.492 1.755 0.623 0.526 0.870 0.630 CB 1.131 43 residues pruned to eliminate duplicates Z: 13 15.983 1.797 0.704 0.897 0.917 0.667 CB 1.177 12 residues pruned to eliminate duplicates Z: 16 12.990 1.737 0.786 0.801 0.867 0.600 CB 0.959 15 residues pruned to eliminate duplicates Z: 16 20.679 1.861 0.915 0.616 0.933 0.733 CA 1.439 15 residues pruned to eliminate duplicates Z: 13 14.804 1.758 1.257 0.827 1.000 0.583 CB 0.812 13 residues pruned to eliminate duplicates Z: 16 13.618 1.705 0.567 0.839 0.933 0.733 CB 1.053 13 residues pruned to eliminate duplicates Z: 28 14.628 1.676 0.585 0.623 0.889 0.667 CB 1.062 28 residues pruned to eliminate duplicates Z: 15 22.191 1.816 0.753 0.803 1.000 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 15 16.123 1.783 0.974 0.559 1.000 0.786 CB 1.157 15 residues pruned to eliminate duplicates Z: 6 3.913 1.872 -0.077 0.677 0.600 0.600 CB 1.435 6 residues pruned to eliminate duplicates Z: 7 4.103 1.642 0.668 0.505 0.833 0.667 CB 0.730 Z: 13 11.347 1.795 0.819 0.422 0.833 0.500 CB 1.306 10 residues pruned to eliminate duplicates Z: 16 19.036 1.883 0.887 0.601 0.933 0.600 CB 1.346 16 residues pruned to eliminate duplicates Z: 32 19.288 1.790 0.617 0.510 0.903 0.645 CB 1.312 32 residues pruned to eliminate duplicates Z: 9 8.573 1.658 0.711 0.585 1.000 0.625 CB 0.985 9 residues pruned to eliminate duplicates 9 0.897 1.552 0.483 0.231 0.500 0.250 CB 0.377 ? Z: 15 19.254 1.717 0.807 0.861 1.000 0.786 CB 1.219 15 residues pruned to eliminate duplicates Z: 13 16.435 1.734 0.677 0.876 1.000 0.833 CA 1.186 13 residues pruned to eliminate duplicates Z: 11 11.468 1.649 0.645 0.566 1.000 0.700 CB 1.254 Z: 32 13.507 1.706 0.512 0.457 0.839 0.645 CB 1.172 17 residues pruned to eliminate duplicates Z: 11 5.249 1.664 -0.003 0.398 0.900 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 14 14.337 1.667 0.618 0.817 1.000 0.538 CB 1.120 10 residues pruned to eliminate duplicates Z: 15 18.813 1.874 0.645 0.901 1.000 0.857 CB 1.164 16 residues pruned to eliminate duplicates Z: 6 2.061 1.543 0.135 0.437 0.800 0.600 CB 0.702 Z: 12 10.263 1.785 0.796 0.418 0.909 0.636 CB 1.156 12 residues pruned to eliminate duplicates Z: 7 7.146 1.732 0.690 0.673 0.833 0.667 CA 1.019 7 residues pruned to eliminate duplicates Z: 8 8.860 1.710 0.385 0.872 1.000 1.000 CB 1.031 8 residues pruned to eliminate duplicates Z: 17 13.455 1.777 0.534 0.781 0.875 0.688 CB 1.100 17 residues pruned to eliminate duplicates Z: 16 14.862 1.726 0.613 0.535 1.000 0.867 CB 1.331 Z: 8 5.943 1.573 0.039 0.647 1.000 0.857 CB 1.199 Z: 10 4.622 1.553 0.257 0.421 0.889 0.556 CB 0.964 Z: 17 21.101 1.876 0.601 0.769 0.938 0.688 CA 1.476 19 residues pruned to eliminate duplicates Z: 14 13.569 1.750 0.651 0.485 0.923 0.462 CB 1.432 18 residues pruned to eliminate duplicates Z: 7 11.252 1.615 0.745 0.776 1.000 0.667 O 1.278 8 residues pruned to eliminate duplicates Z: 6 9.921 1.925 1.181 0.479 0.800 0.600 CB 1.349 Z: 13 16.290 1.832 0.698 0.906 0.917 0.917 CB 1.173 13 residues pruned to eliminate duplicates Z: 15 16.940 1.785 0.724 0.805 0.857 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 8 3.529 1.654 0.513 0.317 0.571 0.429 CB 1.142 Z: 7 5.722 1.547 0.667 0.360 0.833 0.500 CA 1.264 Z: 15 18.365 1.774 0.529 0.789 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 17 15.479 1.783 0.572 0.898 1.000 0.875 CB 0.988 17 residues pruned to eliminate duplicates Z: 13 13.284 1.707 0.318 0.853 1.000 0.833 CB 1.259 13 residues pruned to eliminate duplicates Z: 7 3.257 1.596 0.559 0.576 0.833 0.667 CB 0.596 Z: 6 4.883 1.742 0.252 0.428 0.800 0.400 CA 1.349 6 residues pruned to eliminate duplicates Z: 38 21.023 1.790 0.586 0.558 0.919 0.649 CB 1.252 31 residues pruned to eliminate duplicates Z: 23 9.364 1.793 0.361 0.375 0.818 0.500 CB 1.142 28 residues pruned to eliminate duplicates Z: 17 9.186 1.748 0.640 0.327 0.938 0.500 CB 1.034 17 residues pruned to eliminate duplicates Z: 6 5.473 1.594 0.701 0.468 0.800 0.800 CA 1.165 Z: 9 9.494 1.769 0.842 0.853 0.750 0.625 CB 1.015 9 residues pruned to eliminate duplicates Z: 16 13.167 1.708 0.645 0.874 0.933 0.800 CB 0.944 16 residues pruned to eliminate duplicates Z: 16 12.898 1.602 0.475 0.920 1.000 0.667 CB 0.993 15 residues pruned to eliminate duplicates Z: 10 6.778 1.607 0.419 0.595 0.889 0.333 CB 1.018 7 residues pruned to eliminate duplicates Z: 16 13.336 1.817 0.281 0.813 0.933 0.667 CB 1.206 16 residues pruned to eliminate duplicates Z: 7 9.763 1.749 0.583 0.833 1.000 0.833 CB 1.080 7 residues pruned to eliminate duplicates Z: 13 15.581 1.823 0.550 0.867 0.917 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 16 11.634 1.666 0.660 0.833 0.933 0.867 CB 0.873 16 residues pruned to eliminate duplicates Z: 10 8.916 1.526 0.649 0.707 0.889 0.667 N 1.101 Z: 18 22.937 1.737 0.723 0.812 0.941 0.647 N 1.505 18 residues pruned to eliminate duplicates Z: 7 3.836 1.695 0.310 0.467 0.833 0.667 CB 0.875 7 residues pruned to eliminate duplicates Z: 16 9.162 1.737 0.529 0.473 0.933 0.667 CB 0.981 12 residues pruned to eliminate duplicates Z: 14 10.924 1.836 0.481 0.459 0.846 0.615 CB 1.373 Z: 11 10.438 1.714 0.877 0.483 0.900 0.500 CB 1.159 11 residues pruned to eliminate duplicates Z: 9 7.690 1.670 0.314 0.773 0.875 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 12 8.276 1.811 0.487 0.358 0.909 0.636 CB 1.188 10 residues pruned to eliminate duplicates Z: 11 12.246 1.726 0.336 0.870 1.000 0.900 CA 1.226 11 residues pruned to eliminate duplicates Z: 10 7.940 1.711 0.145 0.872 0.889 0.889 CB 1.108 Z: 8 11.786 1.694 0.793 0.673 0.857 0.714 N 1.459 8 residues pruned to eliminate duplicates Z: 14 15.364 1.795 0.634 0.882 1.000 1.000 CB 1.051 14 residues pruned to eliminate duplicates Z: 8 6.582 1.441 0.470 0.717 1.000 0.571 CA 0.965 Z: 16 20.476 1.766 0.783 0.911 1.000 0.800 CB 1.191 15 residues pruned to eliminate duplicates Z: 15 6.882 1.679 0.675 0.259 0.857 0.571 CB 1.005 6 residues pruned to eliminate duplicates Z: 15 21.945 1.871 0.725 0.908 1.000 0.929 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 5.899 1.723 0.886 0.475 0.800 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 6 2.705 1.806 0.691 0.349 0.800 0.200 CB 0.583 Z: 25 19.677 1.791 0.728 0.608 0.833 0.625 CB 1.405 25 residues pruned to eliminate duplicates Z: 16 16.931 1.864 0.283 0.770 1.000 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 6 4.035 1.550 0.644 0.298 0.800 0.600 N 1.110 Z: 16 15.463 1.831 0.456 0.563 1.000 0.733 CB 1.408 17 residues pruned to eliminate duplicates Z: 9 4.989 1.451 0.293 0.513 0.875 0.500 CB 1.061 9 residues pruned to eliminate duplicates Z: 8 7.117 1.819 0.541 0.524 0.714 0.571 CB 1.311 8 residues pruned to eliminate duplicates Z: 17 22.863 1.801 0.799 0.819 1.000 0.938 CB 1.337 18 residues pruned to eliminate duplicates Z: 9 9.017 1.694 0.811 0.593 1.000 0.875 CB 0.951 16 residues pruned to eliminate duplicates Z: 15 12.645 1.642 0.416 0.914 0.929 0.857 CB 1.107 15 residues pruned to eliminate duplicates Z: 6 7.784 1.609 0.392 0.792 1.000 0.600 CB 1.203 Z: 10 7.490 1.665 0.629 0.672 0.889 0.778 CB 0.884 Z: 14 14.205 1.558 0.678 0.815 1.000 0.538 CB 1.146 Z: 42 19.012 1.798 0.490 0.566 0.927 0.732 CB 1.121 42 residues pruned to eliminate duplicates Z: 10 14.458 1.706 0.672 0.836 1.000 0.778 CB 1.264 10 residues pruned to eliminate duplicates Z: 13 8.277 1.615 0.721 0.327 0.833 0.250 CB 1.247 13 residues pruned to eliminate duplicates Z: 11 6.837 1.810 0.525 0.400 0.700 0.400 CB 1.244 11 residues pruned to eliminate duplicates Z: 16 18.541 1.815 0.472 0.800 0.933 0.733 CB 1.477 16 residues pruned to eliminate duplicates Z: 6 2.348 1.494 0.176 0.289 0.600 0.600 CB 1.263 Z: 9 4.239 1.698 0.435 0.400 0.500 0.375 N 1.367 Z: 15 20.105 1.781 0.767 0.804 0.929 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 7 3.283 1.522 0.225 0.455 1.000 0.833 CB 0.753 Z: 9 5.741 1.667 0.581 0.505 0.625 0.375 CB 1.226 7 residues pruned to eliminate duplicates Z: 13 17.822 1.749 1.074 0.845 1.000 0.917 CB 1.054 13 residues pruned to eliminate duplicates Z: 9 7.212 1.570 0.512 0.693 0.875 0.750 CB 1.029 8 residues pruned to eliminate duplicates Z: 6 3.074 1.292 0.208 0.672 0.800 0.400 N 0.939 Z: 25 17.862 1.938 0.845 0.525 0.833 0.458 CB 1.193 25 residues pruned to eliminate duplicates Z: 9 8.436 1.710 0.833 0.357 0.750 0.500 CB 1.480 8 residues pruned to eliminate duplicates Z: 14 16.524 1.892 0.803 0.586 0.923 0.923 CB 1.340 14 residues pruned to eliminate duplicates Z: 13 7.677 1.657 0.202 0.472 0.917 0.500 N 1.248 13 residues pruned to eliminate duplicates Z: 15 14.702 1.797 0.332 0.845 1.000 0.429 CB 1.221 15 residues pruned to eliminate duplicates Z: 17 23.471 1.869 0.717 0.825 1.000 0.750 CB 1.380 17 residues pruned to eliminate duplicates Z: 15 8.986 1.846 0.529 0.315 0.929 0.571 CB 1.125 15 residues pruned to eliminate duplicates Z: 13 13.270 1.679 1.062 0.859 0.917 0.500 CB 0.888 17 residues pruned to eliminate duplicates Z: 9 8.569 1.709 0.563 0.456 1.000 0.500 CB 1.186 8 residues pruned to eliminate duplicates Z: 6 5.512 1.731 0.339 0.419 0.800 0.600 N 1.447 Z: 27 20.882 1.804 0.490 0.676 1.000 0.731 CB 1.295 27 residues pruned to eliminate duplicates Z: 16 20.798 1.782 0.700 0.913 1.000 0.933 CB 1.255 15 residues pruned to eliminate duplicates Z: 8 3.111 1.571 0.504 0.319 0.571 0.571 CB 1.063 Z: 14 10.554 1.574 0.431 0.831 1.000 0.846 CB 0.976 14 residues pruned to eliminate duplicates Z: 13 8.214 1.567 0.511 0.441 0.833 0.500 CA 1.276 9 residues pruned to eliminate duplicates Z: 7 4.462 1.380 0.362 0.719 0.833 0.500 CB 0.954 Z: 11 6.455 1.671 0.249 0.819 0.900 0.900 CB 0.824 Z: 14 16.640 1.601 0.668 0.850 1.000 0.923 CA 1.280 13 residues pruned to eliminate duplicates Z: 11 18.294 1.761 0.828 0.778 1.000 0.700 CB 1.406 11 residues pruned to eliminate duplicates Z: 12 8.243 1.781 0.555 0.515 0.727 0.455 CB 1.216 12 residues pruned to eliminate duplicates Z: 28 22.483 1.809 0.599 0.603 0.963 0.815 CB 1.408 28 residues pruned to eliminate duplicates Z: 14 15.193 1.584 0.917 0.818 0.846 0.538 CB 1.244 15 residues pruned to eliminate duplicates 7 1.188 1.740 0.227 0.880 1.000 0.833 CB 0.165 ? Z: 10 11.909 1.640 0.760 0.849 1.000 0.889 CB 1.020 14 residues pruned to eliminate duplicates Z: 14 9.434 1.681 0.378 0.541 0.923 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 6 3.773 1.499 0.381 0.314 0.800 0.400 C 1.251 5 residues pruned to eliminate duplicates Z: 14 15.961 1.814 0.493 0.852 1.000 0.923 CB 1.209 14 residues pruned to eliminate duplicates Z: 9 12.503 1.768 0.378 0.901 1.000 0.750 CB 1.295 7 residues pruned to eliminate duplicates Z: 10 9.240 1.517 0.791 0.568 1.000 0.778 N 1.062 Z: 11 18.659 1.816 0.754 0.881 1.000 0.800 CB 1.342 11 residues pruned to eliminate duplicates Z: 10 7.464 1.555 0.389 0.522 0.889 0.556 CB 1.268 10 residues pruned to eliminate duplicates Z: 16 16.006 1.775 0.529 0.889 1.000 0.867 CB 1.096 16 residues pruned to eliminate duplicates Z: 13 12.990 1.631 0.583 0.911 1.000 0.917 CB 1.030 10 residues pruned to eliminate duplicates Z: 7 5.533 1.480 1.012 0.362 0.833 0.667 N 1.057 Z: 7 8.254 1.553 0.706 0.660 1.000 0.667 CB 1.096 Z: 10 5.919 1.545 -0.020 0.568 1.000 0.778 CB 1.220 Z: 15 10.970 1.633 0.400 0.783 1.000 0.786 CB 0.999 15 residues pruned to eliminate duplicates Z: 13 16.121 1.652 0.759 0.867 1.000 0.917 CB 1.171 12 residues pruned to eliminate duplicates Z: 14 9.846 1.841 0.652 0.449 1.000 0.692 CB 0.946 14 residues pruned to eliminate duplicates Z: 8 3.903 1.463 0.856 0.381 0.714 0.571 CA 0.863 Z: 12 12.356 1.592 0.764 0.867 0.909 0.727 CB 1.068 12 residues pruned to eliminate duplicates Z: 11 7.919 1.783 1.091 0.369 0.700 0.400 CB 1.104 Z: 24 10.454 1.701 0.964 0.434 0.870 0.609 CB 0.803 26 residues pruned to eliminate duplicates Z: 7 4.828 1.370 0.607 0.487 0.833 0.667 CA 1.089 Z: 6 5.731 1.453 1.029 0.522 0.800 0.800 CB 1.063 Z: 28 22.308 1.807 0.528 0.665 0.963 0.815 CB 1.386 28 residues pruned to eliminate duplicates Z: 32 19.538 1.837 0.467 0.542 0.903 0.645 CB 1.383 30 residues pruned to eliminate duplicates Z: 11 17.419 1.795 1.033 0.797 0.900 0.700 CA 1.294 13 residues pruned to eliminate duplicates Z: 11 3.338 1.718 0.172 0.350 0.500 0.300 CB 1.233 Z: 20 13.027 1.642 0.868 0.417 0.842 0.526 CB 1.262 20 residues pruned to eliminate duplicates Z: 6 2.864 1.461 0.346 0.606 0.800 0.600 N 0.736 Z: 11 9.089 1.441 0.292 0.798 1.000 0.600 CB 1.189 9 residues pruned to eliminate duplicates Z: 9 6.586 1.611 0.278 0.504 0.875 0.500 N 1.287 Z: 15 8.699 1.675 0.448 0.456 0.857 0.500 CB 1.170 20 residues pruned to eliminate duplicates Z: 18 18.572 1.761 0.957 0.614 1.000 0.588 CB 1.174 18 residues pruned to eliminate duplicates Z: 8 5.520 1.650 0.537 0.419 0.714 0.714 N 1.254 8 residues pruned to eliminate duplicates Z: 14 10.617 1.705 0.742 0.547 0.769 0.462 CB 1.231 14 residues pruned to eliminate duplicates Z: 16 24.399 1.824 0.852 0.823 0.933 0.733 CB 1.509 16 residues pruned to eliminate duplicates Z: 7 3.242 1.478 0.783 0.442 0.667 0.500 CB 0.800 7 residues pruned to eliminate duplicates Z: 7 7.674 1.533 0.893 0.545 0.833 0.333 N 1.240 Z: 11 13.370 1.710 0.616 0.875 1.000 0.900 CB 1.113 11 residues pruned to eliminate duplicates Z: 17 23.193 1.843 0.788 0.804 0.938 0.688 CB 1.439 16 residues pruned to eliminate duplicates Z: 12 10.949 1.659 0.993 0.897 1.000 0.545 CB 0.715 12 residues pruned to eliminate duplicates Z: 8 4.626 1.562 0.325 0.420 0.857 0.286 CB 1.071 Z: 11 8.520 1.754 0.469 0.415 0.800 0.400 N 1.429 Z: 13 10.057 1.701 0.898 0.864 0.833 0.583 CB 0.792 13 residues pruned to eliminate duplicates Z: 12 13.071 1.730 0.573 0.864 1.000 0.818 CB 1.062 12 residues pruned to eliminate duplicates Z: 7 3.375 1.552 0.168 0.332 0.833 0.333 CB 1.097 Z: 6 7.106 1.608 0.472 0.695 1.000 0.800 CB 1.123 6 residues pruned to eliminate duplicates Z: 15 12.143 1.750 0.777 0.497 1.000 0.643 CB 1.047 14 residues pruned to eliminate duplicates Z: 12 6.767 1.534 0.741 0.416 0.909 0.545 CB 0.917 Z: 6 4.531 1.441 0.825 0.377 0.800 0.400 CB 1.099 Z: 8 10.456 1.758 0.534 0.767 0.857 0.857 CB 1.350 7 residues pruned to eliminate duplicates 6 1.973 1.369 0.370 0.361 0.600 0.600 N 0.911 ? Z: 9 4.551 1.542 0.546 0.177 0.750 0.500 O 1.330 Z: 10 18.300 1.834 0.750 0.871 1.000 0.889 CB 1.387 10 residues pruned to eliminate duplicates Z: 7 3.078 1.530 0.517 0.360 0.667 0.333 N 0.944 Z: 10 8.269 1.544 0.392 0.918 1.000 1.000 CB 0.904 Z: 10 4.352 1.568 0.574 0.306 0.778 0.444 CB 0.938 Z: 14 7.368 1.467 0.556 0.637 0.846 0.538 CB 0.931 Z: 7 5.671 1.321 0.579 0.582 1.000 0.667 CB 1.026 8 residues pruned to eliminate duplicates Z: 9 3.861 1.513 0.364 0.377 0.750 0.500 CB 1.006 Z: 8 2.949 1.454 0.031 0.288 0.857 0.429 CB 1.101 Z: 14 23.408 1.909 1.017 0.628 1.000 0.769 CB 1.495 16 residues pruned to eliminate duplicates Z: 12 11.279 1.763 0.757 0.336 0.909 0.455 CB 1.445 10 residues pruned to eliminate duplicates Z: 7 4.713 1.726 0.466 0.743 0.833 0.667 CB 0.734 Z: 12 5.025 1.688 0.341 0.330 0.818 0.455 CB 0.986 12 residues pruned to eliminate duplicates 6 1.808 1.471 -0.016 0.300 0.600 0.400 O 1.164 ? Z: 13 12.910 1.564 0.644 0.796 0.917 0.583 CB 1.221 13 residues pruned to eliminate duplicates Z: 18 11.481 1.683 0.670 0.548 0.882 0.588 CB 1.071 Z: 9 4.489 1.579 0.507 0.261 0.875 0.625 CB 1.002 9 residues pruned to eliminate duplicates Z: 13 14.164 1.887 0.840 0.511 0.917 0.500 CA 1.270 11 residues pruned to eliminate duplicates Z: 9 3.227 1.279 0.172 0.790 0.875 0.500 O 0.675 Z: 18 5.465 1.506 0.765 0.349 0.588 0.529 CB 0.998 Z: 7 6.785 1.435 0.758 0.828 1.000 0.667 CB 0.827 Z: 14 5.561 1.633 0.474 0.261 0.692 0.308 CB 1.216 24 residues pruned to eliminate duplicates Z: 36 17.341 1.604 0.620 0.543 0.886 0.486 CB 1.221 18 residues pruned to eliminate duplicates Z: 14 12.270 1.761 0.659 0.543 0.923 0.692 CB 1.210 14 residues pruned to eliminate duplicates Z: 8 8.343 1.671 0.474 0.627 0.857 0.571 CB 1.325 8 residues pruned to eliminate duplicates Z: 10 8.720 1.326 0.741 0.780 1.000 0.667 N 0.983 Z: 27 21.546 1.823 0.705 0.576 0.962 0.769 CB 1.314 27 residues pruned to eliminate duplicates Z: 17 14.330 1.754 0.661 0.585 0.938 0.750 CB 1.208 17 residues pruned to eliminate duplicates Z: 15 17.232 1.781 0.921 0.841 1.000 0.643 CB 1.004 16 residues pruned to eliminate duplicates Z: 17 18.571 1.751 0.720 0.780 1.000 0.688 CB 1.204 17 residues pruned to eliminate duplicates Z: 9 10.842 1.565 0.717 0.645 1.000 0.750 CB 1.245 9 residues pruned to eliminate duplicates Z: 11 4.081 1.593 0.374 0.256 0.700 0.400 CB 1.114 11 residues pruned to eliminate duplicates Z: 11 12.793 1.861 0.722 0.896 0.900 0.600 CB 1.004 11 residues pruned to eliminate duplicates Z: 15 22.602 1.790 1.148 0.868 1.000 0.643 CB 1.149 15 residues pruned to eliminate duplicates Z: 9 9.676 1.664 0.460 0.623 1.000 0.750 CB 1.253 Z: 10 7.720 1.413 1.370 0.360 0.778 0.556 CA 1.148 Z: 17 22.474 1.842 0.947 0.653 1.000 0.688 CB 1.358 17 residues pruned to eliminate duplicates Z: 6 5.926 1.623 0.230 0.545 1.000 0.600 CB 1.271 Z: 7 7.932 1.503 0.435 0.794 1.000 0.667 CB 1.161 Z: 10 4.650 1.684 -0.027 0.575 0.889 0.556 CB 0.990 Z: 7 3.239 1.550 0.219 0.610 0.833 0.833 CB 0.756 Z: 10 9.115 1.614 0.796 0.809 0.889 0.778 CB 0.901 10 residues pruned to eliminate duplicates Z: 6 4.847 1.575 0.529 0.544 0.800 0.400 CB 1.078 Z: 9 13.826 1.575 0.655 0.881 1.000 0.875 N 1.358 9 residues pruned to eliminate duplicates Z: 18 19.255 1.871 0.830 0.545 0.941 0.765 CA 1.386 18 residues pruned to eliminate duplicates Z: 9 9.378 1.579 0.764 0.693 1.000 0.750 CA 0.997 9 residues pruned to eliminate duplicates Z: 12 11.661 1.700 0.684 0.550 0.909 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 10 5.506 1.539 0.368 0.828 0.889 0.556 CB 0.738 10 residues pruned to eliminate duplicates Z: 6 4.889 1.343 0.854 0.709 0.800 0.800 CB 0.908 Z: 38 18.940 1.819 0.737 0.469 0.865 0.541 CB 1.176 34 residues pruned to eliminate duplicates Z: 7 2.294 1.284 0.091 0.319 0.833 0.500 CA 0.979 Z: 9 4.352 1.803 0.381 0.290 0.750 0.500 CB 1.044 Z: 18 10.286 1.774 0.483 0.449 0.824 0.529 CB 1.214 18 residues pruned to eliminate duplicates Z: 8 8.943 1.388 0.738 0.832 1.000 0.714 CA 1.052 7 residues pruned to eliminate duplicates Z: 10 4.353 1.454 0.329 0.471 0.889 0.667 N 0.870 10 residues pruned to eliminate duplicates Z: 19 10.261 1.655 0.763 0.469 0.778 0.556 CB 1.100 22 residues pruned to eliminate duplicates Z: 6 2.017 1.248 0.832 0.410 0.600 0.400 CB 0.722 Z: 6 3.551 1.541 0.445 0.667 0.800 0.800 CB 0.763 Z: 16 8.579 1.613 0.504 0.370 0.867 0.667 CB 1.211 15 residues pruned to eliminate duplicates Z: 9 19.688 1.699 1.134 0.881 1.000 0.375 CB 1.390 9 residues pruned to eliminate duplicates Z: 10 7.238 1.625 0.312 0.830 1.000 0.778 CB 0.851 10 residues pruned to eliminate duplicates Z: 7 2.333 1.278 0.418 0.438 0.667 0.333 N 0.840 7 residues pruned to eliminate duplicates Z: 7 5.976 1.593 0.328 0.563 0.833 0.833 N 1.303 Z: 13 17.541 1.749 0.721 0.873 1.000 0.750 CB 1.225 14 residues pruned to eliminate duplicates Z: 15 16.464 1.790 0.379 0.821 1.000 0.786 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 17.088 1.688 0.639 0.829 1.000 0.846 CB 1.289 13 residues pruned to eliminate duplicates Z: 7 3.458 1.417 0.535 0.481 0.667 0.667 N 0.993 Z: 9 4.375 1.550 0.344 0.446 1.000 0.375 CB 0.785 7 residues pruned to eliminate duplicates Z: 18 10.693 1.651 0.698 0.460 0.824 0.647 CB 1.169 18 residues pruned to eliminate duplicates Z: 6 2.986 1.613 0.006 0.348 0.800 0.400 CB 1.214 Z: 13 15.966 1.769 0.765 0.941 1.000 0.917 CB 1.025 13 residues pruned to eliminate duplicates Z: 6 3.684 1.584 0.141 0.490 0.800 0.800 CA 1.152 Z: 9 4.960 1.540 0.735 0.483 1.000 0.500 CB 0.668 6 1.203 1.293 0.597 0.628 0.600 0.400 CB 0.385 ? Z: 9 6.606 1.575 0.593 0.482 0.750 0.500 N 1.264 Z: 14 17.610 1.635 1.003 0.908 1.000 0.846 CB 1.059 13 residues pruned to eliminate duplicates Z: 8 6.090 1.559 0.256 0.833 0.857 0.714 CB 1.028 8 residues pruned to eliminate duplicates Z: 24 10.438 1.739 0.816 0.457 0.826 0.565 CB 0.871 24 residues pruned to eliminate duplicates Z: 11 8.219 1.622 0.896 0.409 0.900 0.500 CB 1.033 Z: 9 4.624 1.671 0.485 0.547 0.750 0.625 CB 0.839 9 residues pruned to eliminate duplicates Z: 6 9.499 1.794 0.384 0.656 1.000 0.400 O 1.480 Z: 13 5.740 1.609 0.303 0.269 0.750 0.417 CB 1.371 13 residues pruned to eliminate duplicates Z: 6 2.455 1.691 -0.560 0.779 1.000 0.800 CB 1.152 Z: 8 10.531 1.873 0.454 0.660 1.000 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 6 4.138 1.499 0.206 0.551 0.800 0.600 O 1.217 Z: 6 10.290 1.732 0.713 0.636 1.000 0.800 CB 1.366 6 residues pruned to eliminate duplicates Z: 7 2.906 1.516 -0.086 0.361 0.833 0.667 CB 1.193 Z: 18 5.033 1.474 0.257 0.315 0.824 0.471 CB 0.981 Z: 12 4.186 1.548 0.166 0.239 0.909 0.545 CB 1.042 Z: 8 10.166 1.662 0.818 0.753 1.000 0.714 CB 1.015 8 residues pruned to eliminate duplicates Z: 8 8.250 1.674 0.535 0.836 0.857 0.714 CB 1.060 7 residues pruned to eliminate duplicates 6 1.278 1.173 0.593 0.390 0.600 0.400 CB 0.573 ? Z: 6 12.778 1.660 0.788 0.790 1.000 0.800 N 1.493 6 residues pruned to eliminate duplicates 6 1.847 1.428 0.492 0.547 0.600 0.600 CB 0.617 ? Z: 7 2.034 1.346 0.172 0.245 0.833 0.500 CB 0.848 Z: 6 4.291 1.393 0.399 0.668 0.800 0.400 CB 1.054 Z: 11 7.710 1.522 0.688 0.349 1.000 0.500 CB 1.118 11 residues pruned to eliminate duplicates Z: 20 16.298 1.824 0.635 0.693 0.842 0.421 CB 1.248 20 residues pruned to eliminate duplicates 7 1.775 1.406 -0.001 0.345 0.667 0.333 CB 0.916 ? Z: 15 20.364 1.850 0.574 0.791 1.000 0.786 CB 1.448 15 residues pruned to eliminate duplicates Z: 10 5.155 1.570 -0.184 0.654 1.000 0.556 N 1.162 7 residues pruned to eliminate duplicates Z: 7 2.573 1.362 0.519 0.225 0.667 0.333 N 1.051 Z: 6 10.017 1.771 0.279 0.856 1.000 1.000 N 1.459 7 residues pruned to eliminate duplicates Z: 6 2.036 1.543 0.735 0.462 0.800 0.600 CB 0.442 Z: 8 2.929 1.436 0.239 0.324 0.857 0.714 O 0.881 8 residues pruned to eliminate duplicates Z: 11 3.490 1.426 0.378 0.323 0.700 0.600 CB 0.975 Z: 9 3.143 1.507 0.038 0.543 0.875 0.625 CB 0.778 9 residues pruned to eliminate duplicates Z: 10 9.852 1.540 0.716 0.889 1.000 0.667 CB 0.895 10 residues pruned to eliminate duplicates Z: 8 5.449 1.553 0.229 0.599 0.857 0.714 CA 1.146 8 residues pruned to eliminate duplicates Z: 9 11.179 1.659 0.644 0.689 1.000 0.875 CB 1.219 9 residues pruned to eliminate duplicates Z: 16 21.468 1.835 0.829 0.809 0.867 0.733 CB 1.456 16 residues pruned to eliminate duplicates Z: 6 5.667 1.310 0.473 0.873 1.000 0.800 O 0.956 Z: 9 2.750 1.564 0.459 0.374 0.750 0.625 CB 0.650 9 residues pruned to eliminate duplicates Z: 27 11.491 1.660 0.610 0.361 0.885 0.538 CB 1.107 27 residues pruned to eliminate duplicates Z: 10 11.673 1.745 0.657 0.784 0.889 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 17 7.780 1.680 0.658 0.334 0.750 0.438 CB 1.117 Z: 14 17.376 1.619 0.819 0.911 1.000 0.846 CB 1.161 14 residues pruned to eliminate duplicates Z: 19 13.030 1.511 0.686 0.765 0.889 0.611 CB 1.072 17 residues pruned to eliminate duplicates Z: 12 12.710 1.548 0.889 0.790 0.818 0.455 N 1.241 12 residues pruned to eliminate duplicates Z: 7 8.983 1.492 0.870 0.705 1.000 0.667 N 1.091 6 residues pruned to eliminate duplicates Z: 6 3.439 1.179 0.690 0.688 0.800 0.800 C 0.812 Z: 10 5.550 1.480 0.149 0.590 0.889 0.444 CB 1.123 9 residues pruned to eliminate duplicates Z: 13 4.031 1.506 0.310 0.183 0.667 0.333 C 1.296 9 residues pruned to eliminate duplicates Z: 11 4.525 1.646 0.395 0.314 0.800 0.500 CB 0.957 6 residues pruned to eliminate duplicates 6 1.943 1.321 0.341 0.781 0.800 0.800 CB 0.479 ? Z: 11 5.454 1.504 0.326 0.413 0.800 0.300 C 1.184 11 residues pruned to eliminate duplicates Z: 27 14.304 1.789 0.724 0.412 0.846 0.500 CB 1.178 27 residues pruned to eliminate duplicates Z: 13 10.079 1.716 0.552 0.475 1.000 0.583 CB 1.120 9 residues pruned to eliminate duplicates Z: 10 7.296 1.526 0.717 0.505 0.889 0.556 CB 1.039 8 residues pruned to eliminate duplicates Z: 8 3.725 1.505 -0.109 0.650 1.000 0.571 O 0.914 Z: 21 14.198 1.628 0.768 0.649 0.950 0.700 CB 1.010 15 residues pruned to eliminate duplicates Z: 15 15.180 1.790 0.774 0.792 0.857 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 8 7.681 1.430 1.168 0.592 0.857 0.714 CB 1.001 21 residues pruned to eliminate duplicates Z: 11 5.599 1.496 0.543 0.322 1.000 0.300 CB 0.933 Z: 6 5.149 1.375 0.359 0.586 1.000 0.600 O 1.135 Z: 10 7.495 1.523 0.578 0.385 0.889 0.778 CB 1.322 4 residues pruned to eliminate duplicates Z: 7 5.998 1.648 0.579 0.699 0.833 0.667 CB 0.942 6 residues pruned to eliminate duplicates Z: 7 4.115 1.600 0.358 0.238 0.833 0.667 CA 1.258 7 residues pruned to eliminate duplicates Z: 9 10.342 1.498 1.187 0.645 0.875 0.750 CB 1.114 9 residues pruned to eliminate duplicates Z: 8 10.512 1.669 0.696 0.852 1.000 0.714 CA 1.038 9 residues pruned to eliminate duplicates Z: 13 6.232 1.480 0.342 0.396 0.833 0.417 O 1.213 13 residues pruned to eliminate duplicates Z: 15 14.858 1.567 0.463 0.782 1.000 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 16 5.791 1.509 0.384 0.333 0.800 0.400 CB 1.075 Z: 7 5.666 1.485 0.815 0.761 1.000 0.667 CB 0.681 Z: 13 9.818 1.476 0.739 0.805 1.000 0.750 CB 0.846 13 residues pruned to eliminate duplicates Z: 8 2.171 1.242 0.380 0.382 0.714 0.429 CB 0.759 Z: 15 14.623 1.744 0.595 0.841 0.929 0.571 CB 1.128 15 residues pruned to eliminate duplicates Z: 6 2.038 1.426 0.429 0.676 1.000 0.600 CB 0.380 Z: 9 6.411 1.601 0.863 0.474 0.875 0.750 CB 0.892 Z: 9 5.363 1.450 1.038 0.521 0.750 0.625 CB 0.838 8 residues pruned to eliminate duplicates Z: 19 10.730 1.678 0.707 0.474 0.889 0.611 CB 1.020 30 residues pruned to eliminate duplicates Z: 12 24.024 1.762 0.897 0.879 1.000 0.909 CB 1.571 12 residues pruned to eliminate duplicates Z: 9 5.774 1.346 0.376 0.522 1.000 0.625 CB 1.079 Z: 14 9.774 1.592 0.505 0.367 0.923 0.615 CA 1.414 11 residues pruned to eliminate duplicates Z: 12 14.519 1.824 0.554 0.834 0.909 0.727 CA 1.274 12 residues pruned to eliminate duplicates Z: 10 4.000 1.476 0.310 0.290 0.889 0.556 CB 0.981 Z: 13 7.717 1.561 0.741 0.810 0.917 0.667 CB 0.683 13 residues pruned to eliminate duplicates Z: 7 8.282 1.622 0.472 0.688 1.000 0.667 CB 1.193 6 residues pruned to eliminate duplicates Z: 9 6.627 1.632 0.238 0.588 0.875 0.500 CB 1.219 4 residues pruned to eliminate duplicates Z: 16 10.822 1.727 0.494 0.866 0.933 0.600 CB 0.849 14 residues pruned to eliminate duplicates Z: 33 23.645 1.863 0.544 0.633 0.969 0.719 CB 1.325 33 residues pruned to eliminate duplicates Z: 13 21.292 1.778 0.853 0.829 1.000 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 17 11.139 1.717 0.852 0.482 0.812 0.312 CB 1.098 17 residues pruned to eliminate duplicates Z: 14 6.862 1.510 0.581 0.445 0.923 0.692 CB 0.914 Z: 7 9.252 1.668 0.974 0.634 1.000 0.833 CB 1.011 5 residues pruned to eliminate duplicates Z: 6 3.363 1.471 0.554 0.451 0.600 0.400 CB 1.153 Z: 7 2.955 1.363 0.332 0.396 0.833 0.833 N 0.890 Z: 6 5.787 1.206 0.556 0.819 1.000 0.400 CA 1.046 Z: 13 15.887 1.697 0.717 0.919 1.000 0.917 CB 1.110 13 residues pruned to eliminate duplicates Z: 7 4.224 1.590 0.432 0.497 1.000 0.333 CB 0.759 Z: 11 16.077 1.722 0.944 0.788 1.000 0.900 CA 1.179 12 residues pruned to eliminate duplicates Z: 6 3.521 1.546 0.019 0.636 0.800 0.400 CB 1.100 Z: 12 12.554 1.710 0.897 0.727 0.909 0.636 CB 1.046 12 residues pruned to eliminate duplicates Z: 14 7.544 1.602 0.480 0.414 0.923 0.231 CB 1.046 10 residues pruned to eliminate duplicates Z: 6 2.911 1.797 0.163 0.880 1.000 1.000 CB 0.451 5 residues pruned to eliminate duplicates Z: 6 8.305 1.435 1.166 0.688 0.800 0.800 CB 1.258 Z: 10 6.705 1.653 0.384 0.410 0.889 0.333 CA 1.208 9 residues pruned to eliminate duplicates Z: 6 7.680 1.569 0.349 0.709 1.000 0.600 CA 1.342 9 residues pruned to eliminate duplicates Z: 6 4.291 1.569 -0.040 0.586 1.000 0.600 CB 1.173 8 1.410 1.257 0.279 0.349 0.429 0.286 N 0.911 ? Z: 15 14.631 1.785 0.555 0.856 0.929 0.714 CB 1.119 15 residues pruned to eliminate duplicates Z: 24 16.171 1.681 0.535 0.620 0.957 0.870 CB 1.220 24 residues pruned to eliminate duplicates Z: 25 20.055 1.778 0.461 0.612 0.958 0.625 CB 1.478 25 residues pruned to eliminate duplicates 6 1.521 1.434 -0.034 0.107 0.800 0.400 O 1.011 ? Z: 20 10.703 1.625 0.636 0.425 0.842 0.737 CB 1.185 20 residues pruned to eliminate duplicates Z: 15 5.783 1.397 0.363 0.418 0.857 0.714 CB 1.032 Z: 21 5.273 1.321 0.398 0.471 0.750 0.400 CB 0.876 Z: 12 7.568 1.541 0.573 0.568 0.818 0.727 N 1.078 Z: 17 18.526 1.770 0.758 0.810 1.000 0.625 CB 1.136 17 residues pruned to eliminate duplicates Z: 8 3.092 1.567 0.514 0.467 0.571 0.571 CB 0.891 Z: 13 15.677 1.635 0.653 0.909 1.000 0.917 CB 1.188 13 residues pruned to eliminate duplicates Z: 6 2.906 1.153 0.329 0.691 1.000 0.400 CB 0.712 4 residues pruned to eliminate duplicates Z: 17 23.747 1.831 0.552 0.858 1.000 0.938 N 1.539 17 residues pruned to eliminate duplicates Z: 8 6.602 1.443 0.580 0.777 0.857 0.571 CA 1.001 8 residues pruned to eliminate duplicates Z: 19 15.743 1.862 0.839 0.511 0.889 0.500 CB 1.206 19 residues pruned to eliminate duplicates Z: 10 2.950 1.274 0.407 0.408 0.667 0.444 CB 0.906 9 residues pruned to eliminate duplicates Z: 16 7.750 1.542 0.708 0.445 0.867 0.600 CB 0.928 12 residues pruned to eliminate duplicates Z: 10 5.591 1.594 0.449 0.600 0.889 0.556 CB 0.825 10 residues pruned to eliminate duplicates Z: 7 2.433 1.394 0.287 0.455 0.833 0.500 CB 0.696 Z: 8 6.378 1.275 0.854 0.743 0.857 0.286 CB 0.957 Z: 6 5.086 1.371 0.506 0.609 1.000 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 10 12.887 2.061 0.568 0.379 1.000 0.667 CB 1.512 10 residues pruned to eliminate duplicates Z: 16 13.586 1.619 0.851 0.613 0.933 0.733 CB 1.127 22 residues pruned to eliminate duplicates Z: 7 4.193 1.567 0.180 0.655 1.000 0.833 N 0.802 7 residues pruned to eliminate duplicates Z: 10 12.766 1.700 0.493 0.879 1.000 0.667 CB 1.215 9 residues pruned to eliminate duplicates Z: 14 16.361 1.793 0.456 0.861 1.000 0.846 CB 1.276 13 residues pruned to eliminate duplicates 8 1.871 1.208 0.429 0.294 0.714 0.429 CB 0.722 ? Z: 8 6.976 1.641 0.555 0.905 1.000 1.000 CB 0.735 8 residues pruned to eliminate duplicates Z: 13 13.612 1.605 1.032 0.809 1.000 0.833 CB 0.920 22 residues pruned to eliminate duplicates Z: 6 5.821 1.709 0.257 0.643 0.800 0.600 N 1.325 6 residues pruned to eliminate duplicates 6 1.054 1.324 0.470 0.322 0.400 0.400 CB 0.737 ? Z: 11 7.833 1.616 0.608 0.523 1.000 0.500 CB 0.932 11 residues pruned to eliminate duplicates Z: 16 11.846 1.721 0.682 0.754 0.800 0.600 CB 1.053 15 residues pruned to eliminate duplicates Z: 27 11.635 1.588 0.495 0.503 0.923 0.577 CB 1.038 18 residues pruned to eliminate duplicates Z: 15 5.782 1.584 0.262 0.343 0.857 0.643 CB 1.069 15 residues pruned to eliminate duplicates Z: 6 4.734 1.601 0.281 0.576 0.800 0.600 CB 1.200 6 residues pruned to eliminate duplicates Z: 10 4.829 1.385 0.623 0.591 0.889 0.778 CB 0.738 Z: 11 3.472 1.458 0.470 0.275 0.600 0.500 N 1.103 9 residues pruned to eliminate duplicates Z: 6 3.515 1.707 0.561 0.221 0.600 0.400 N 1.365 6 residues pruned to eliminate duplicates Z: 16 18.998 1.829 0.910 0.624 1.000 0.800 CB 1.249 17 residues pruned to eliminate duplicates Z: 11 3.425 1.474 0.833 0.303 0.600 0.500 CB 0.832 Z: 15 20.483 1.823 0.861 0.652 1.000 0.714 CB 1.400 15 residues pruned to eliminate duplicates Z: 17 4.343 1.519 0.101 0.383 0.812 0.500 CB 0.905 9 residues pruned to eliminate duplicates Z: 16 6.590 1.730 0.246 0.282 0.800 0.467 CB 1.261 15 residues pruned to eliminate duplicates Z: 7 3.767 1.527 0.217 0.636 0.667 0.333 CB 1.093 7 residues pruned to eliminate duplicates Z: 7 4.826 1.302 0.565 0.773 1.000 0.500 CB 0.759 Z: 9 5.368 1.540 0.592 0.740 0.875 0.375 CB 0.713 9 residues pruned to eliminate duplicates Z: 30 22.550 1.759 0.644 0.624 1.000 0.931 CB 1.288 30 residues pruned to eliminate duplicates Z: 7 6.133 1.512 0.389 0.609 1.000 0.500 CB 1.074 6 residues pruned to eliminate duplicates Z: 13 8.645 1.583 0.801 0.792 0.833 0.417 CB 0.813 13 residues pruned to eliminate duplicates Z: 6 2.550 1.213 0.761 0.488 0.600 0.400 CB 0.900 Z: 13 10.449 1.740 0.288 0.576 1.000 0.667 CB 1.250 17 residues pruned to eliminate duplicates Z: 9 4.079 1.316 0.591 0.393 0.875 0.375 CB 0.881 6 1.760 1.382 0.617 0.299 0.400 0.400 CB 1.102 ? Z: 9 3.608 1.550 0.261 0.484 0.625 0.500 CB 1.061 6 residues pruned to eliminate duplicates Z: 9 3.351 1.493 0.412 0.235 0.625 0.500 CB 1.224 9 residues pruned to eliminate duplicates Z: 14 7.080 1.637 0.560 0.290 0.846 0.462 CA 1.151 14 residues pruned to eliminate duplicates Z: 6 3.721 1.447 0.316 0.588 0.800 0.600 N 1.004 Z: 16 23.690 1.787 0.813 0.829 1.000 0.800 CB 1.421 16 residues pruned to eliminate duplicates Z: 11 5.767 1.628 0.561 0.319 0.700 0.300 N 1.252 11 residues pruned to eliminate duplicates Z: 7 5.266 1.605 0.638 0.532 0.833 0.500 CB 0.951 7 residues pruned to eliminate duplicates Z: 6 4.201 1.485 0.196 0.826 1.000 0.800 N 0.798 6 residues pruned to eliminate duplicates Z: 9 3.217 1.418 0.550 0.413 0.750 0.500 N 0.755 Z: 14 13.240 1.724 0.607 0.812 0.846 0.538 CB 1.194 15 residues pruned to eliminate duplicates Z: 8 3.897 1.691 0.351 0.412 0.857 0.571 CB 0.825 Z: 6 3.071 1.447 0.069 0.473 0.800 0.600 O 1.140 Z: 6 3.480 1.601 0.327 0.522 0.800 0.400 CB 0.896 7 residues pruned to eliminate duplicates Z: 8 9.839 1.568 0.413 0.849 1.000 0.857 CB 1.244 8 residues pruned to eliminate duplicates Z: 27 12.451 1.663 0.422 0.547 0.923 0.692 CB 1.068 27 residues pruned to eliminate duplicates Z: 12 4.088 1.473 0.300 0.375 0.727 0.364 CB 1.012 11 residues pruned to eliminate duplicates 7 1.104 1.128 -0.012 0.290 0.833 0.333 N 0.614 ? Z: 13 14.421 1.814 0.583 0.653 0.917 0.750 CB 1.372 13 residues pruned to eliminate duplicates Z: 17 10.634 1.665 0.595 0.616 0.875 0.750 CB 1.026 17 residues pruned to eliminate duplicates Z: 11 7.799 1.561 0.499 0.561 1.000 0.700 CB 0.993 15 residues pruned to eliminate duplicates Z: 6 3.518 1.461 0.680 0.752 0.800 0.600 CB 0.640 Z: 26 7.591 1.640 0.519 0.290 0.720 0.480 CB 1.072 26 residues pruned to eliminate duplicates Z: 19 6.542 1.481 0.175 0.441 0.889 0.556 CB 1.060 19 residues pruned to eliminate duplicates Z: 14 9.013 1.680 0.570 0.641 0.846 0.692 CB 0.982 14 residues pruned to eliminate duplicates Z: 7 6.295 1.495 0.714 0.793 1.000 0.667 CA 0.776 6 residues pruned to eliminate duplicates Z: 13 9.576 1.488 0.556 0.796 0.917 0.333 CB 1.005 13 residues pruned to eliminate duplicates Z: 8 7.173 1.451 0.461 0.804 1.000 0.857 O 0.981 8 residues pruned to eliminate duplicates Z: 10 2.568 1.430 0.420 0.253 0.556 0.333 CB 1.007 3 residues pruned to eliminate duplicates Z: 10 4.476 1.550 0.557 0.439 0.889 0.778 CB 0.740 9 residues pruned to eliminate duplicates Z: 12 9.749 1.790 0.479 0.298 0.909 0.545 CA 1.529 12 residues pruned to eliminate duplicates Z: 8 3.593 1.406 0.643 0.316 0.857 0.714 CB 0.841 Z: 16 12.314 1.714 0.589 0.797 0.867 0.600 CB 1.038 16 residues pruned to eliminate duplicates Z: 41 15.619 1.690 0.528 0.478 0.900 0.500 CB 1.086 39 residues pruned to eliminate duplicates 6 0.153 1.668 0.643 0.814 0.800 0.600 CB 0.024 ? Z: 17 13.120 1.613 0.378 0.819 0.938 0.688 CB 1.194 17 residues pruned to eliminate duplicates Z: 9 8.517 1.667 0.527 0.721 0.875 0.875 CB 1.108 9 residues pruned to eliminate duplicates Z: 23 13.511 1.669 0.592 0.553 0.864 0.591 CB 1.192 23 residues pruned to eliminate duplicates Z: 16 15.655 1.623 0.802 0.890 0.867 0.667 CB 1.148 16 residues pruned to eliminate duplicates Z: 6 2.608 1.528 -0.040 0.452 0.800 0.400 CB 1.044 Z: 10 3.845 1.387 0.496 0.357 1.000 0.333 CB 0.721 7 residues pruned to eliminate duplicates Z: 11 12.138 1.584 0.954 0.816 0.800 0.800 CB 1.178 11 residues pruned to eliminate duplicates Z: 15 9.673 1.799 0.365 0.840 0.857 0.714 CB 0.917 15 residues pruned to eliminate duplicates Z: 6 2.025 1.558 0.201 0.300 0.600 0.400 N 1.009 Z: 9 4.073 1.548 0.334 0.378 1.000 0.750 CB 0.795 9 residues pruned to eliminate duplicates Z: 7 2.227 1.430 0.224 0.333 0.833 0.500 CB 0.748 Z: 10 3.956 1.397 0.206 0.411 0.778 0.444 CB 1.105 Z: 27 14.375 1.688 0.576 0.551 0.923 0.654 CB 1.092 27 residues pruned to eliminate duplicates Z: 7 7.139 1.299 0.804 0.628 1.000 1.000 CA 1.103 Z: 13 6.795 1.522 0.593 0.359 0.917 0.417 CB 1.028 6 residues pruned to eliminate duplicates Z: 6 4.786 1.394 0.913 0.430 0.800 0.600 CB 1.079 Z: 7 2.202 1.050 0.727 0.684 0.833 0.500 CB 0.502 Z: 9 8.992 1.713 0.744 0.512 1.000 0.625 CA 1.052 9 residues pruned to eliminate duplicates Z: 6 5.346 1.371 0.856 0.388 1.000 0.800 N 1.058 Z: 7 3.515 1.510 0.578 0.350 0.833 0.333 CB 0.850 Z: 8 3.278 1.438 0.195 0.589 0.857 0.571 CB 0.773 Z: 12 6.420 1.622 0.317 0.433 0.909 0.727 CB 1.068 12 residues pruned to eliminate duplicates Z: 6 3.791 1.492 0.187 0.544 0.800 0.600 N 1.146 Z: 8 4.950 1.626 0.367 0.555 0.857 0.571 CB 0.930 Z: 7 7.942 1.728 0.491 0.700 0.833 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 7 4.816 1.472 0.298 0.549 0.833 0.500 N 1.177 Z: 6 2.150 1.351 0.280 0.494 0.800 0.400 CB 0.700 Z: 10 6.419 1.494 0.657 0.481 1.000 0.889 CB 0.881 10 residues pruned to eliminate duplicates Z: 13 9.362 1.722 0.623 0.397 1.000 0.583 CB 1.077 13 residues pruned to eliminate duplicates Z: 6 3.212 1.411 0.159 0.481 0.800 0.600 CB 1.120 6 residues pruned to eliminate duplicates Z: 10 5.484 1.533 0.528 0.529 0.889 0.333 CB 0.854 Z: 11 7.362 1.573 0.552 0.800 0.900 0.700 CB 0.815 11 residues pruned to eliminate duplicates Z: 9 5.146 1.623 0.385 0.443 0.750 0.500 CA 1.145 9 residues pruned to eliminate duplicates Z: 17 23.091 1.803 1.026 0.696 1.000 0.625 CB 1.321 17 residues pruned to eliminate duplicates Z: 7 5.407 1.473 1.108 0.242 0.833 0.500 O 1.149 Z: 8 8.169 1.715 0.404 0.647 0.857 0.714 N 1.304 10 residues pruned to eliminate duplicates Z: 12 6.806 1.505 0.634 0.475 0.727 0.545 CB 1.177 19 residues pruned to eliminate duplicates Z: 8 4.488 1.545 0.848 0.359 0.714 0.429 CB 0.968 8 residues pruned to eliminate duplicates Z: 11 2.654 1.501 0.199 0.181 0.700 0.400 CB 0.979 11 residues pruned to eliminate duplicates Z: 13 7.709 1.695 0.314 0.827 0.833 0.750 CB 0.903 13 residues pruned to eliminate duplicates Z: 9 4.542 1.469 0.463 0.314 0.875 0.375 CB 1.050 Z: 8 4.949 1.367 0.474 0.440 0.857 0.429 O 1.153 Z: 10 2.704 1.368 0.630 0.366 0.667 0.444 CB 0.700 11 residues pruned to eliminate duplicates Z: 10 11.593 1.590 0.802 0.615 0.889 0.667 CB 1.361 10 residues pruned to eliminate duplicates Z: 7 4.450 1.623 0.061 0.522 0.833 0.667 CA 1.238 Z: 14 11.995 1.647 0.699 0.671 1.000 0.769 CB 1.015 14 residues pruned to eliminate duplicates Z: 27 11.634 1.601 0.638 0.582 0.923 0.577 CB 0.871 24 residues pruned to eliminate duplicates Z: 7 3.455 1.617 0.603 0.428 0.833 0.500 CB 0.703 Z: 18 4.794 1.462 0.462 0.246 0.824 0.353 CB 0.885 18 residues pruned to eliminate duplicates Z: 35 14.139 1.711 0.436 0.473 0.794 0.559 CB 1.277 35 residues pruned to eliminate duplicates Z: 16 9.162 1.617 0.492 0.511 0.933 0.667 CA 1.039 16 residues pruned to eliminate duplicates Z: 6 3.554 1.519 0.268 0.171 1.000 0.200 N 1.229 Z: 15 16.401 1.832 0.946 0.896 0.929 0.786 CB 0.948 15 residues pruned to eliminate duplicates Z: 8 8.446 1.542 0.453 0.616 1.000 0.714 CA 1.277 8 residues pruned to eliminate duplicates Z: 8 2.431 1.420 0.124 0.156 0.714 0.571 N 1.228 6 1.132 1.081 0.321 0.423 0.800 0.400 CB 0.480 ? Z: 12 4.386 1.471 0.494 0.198 0.909 0.636 CB 0.948 Z: 10 7.052 1.742 0.633 0.640 1.000 0.889 CB 0.725 15 residues pruned to eliminate duplicates Z: 17 16.528 1.716 0.622 0.762 0.938 0.688 CA 1.255 17 residues pruned to eliminate duplicates Z: 6 3.035 1.179 0.647 0.623 1.000 0.800 CB 0.622 Z: 11 3.460 1.351 0.630 0.251 0.600 0.400 O 1.102 6 residues pruned to eliminate duplicates Z: 7 4.608 1.466 0.546 0.526 0.667 0.333 O 1.213 Z: 9 7.532 1.713 0.472 0.398 0.875 0.500 CB 1.343 Z: 11 4.253 1.408 0.532 0.280 0.800 0.400 CB 0.999 6 residues pruned to eliminate duplicates Z: 6 3.511 1.575 0.505 0.480 0.600 0.400 CA 1.126 Z: 8 4.461 1.463 0.840 0.309 0.714 0.286 CB 1.084 Z: 7 2.090 1.362 -0.002 0.338 0.833 0.500 CB 0.900 Z: 10 4.388 1.628 0.527 0.495 0.667 0.667 CB 0.887 10 residues pruned to eliminate duplicates Z: 23 9.498 1.769 0.426 0.379 0.773 0.545 CB 1.182 23 residues pruned to eliminate duplicates Z: 6 2.324 1.223 0.936 0.294 0.600 0.400 C 0.921 Z: 8 6.132 1.316 0.490 0.532 1.000 0.571 CB 1.146 9 residues pruned to eliminate duplicates Z: 11 7.634 1.448 0.764 0.515 1.000 0.600 CB 0.932 9 residues pruned to eliminate duplicates Z: 6 2.072 1.373 0.249 0.271 0.800 0.400 CB 0.876 6 1.134 1.063 0.149 0.402 0.800 0.200 N 0.576 ? Z: 11 6.145 1.464 0.406 0.333 1.000 0.500 CB 1.134 7 residues pruned to eliminate duplicates Z: 11 9.946 1.667 0.357 0.889 1.000 0.800 CB 1.001 11 residues pruned to eliminate duplicates Z: 6 4.068 1.495 0.923 0.591 0.600 0.600 CB 0.967 Z: 8 2.041 1.199 0.374 0.270 0.571 0.286 N 1.065 Z: 10 8.195 1.688 0.153 0.833 1.000 1.000 CB 1.053 10 residues pruned to eliminate duplicates Z: 9 6.223 1.444 0.589 0.384 0.875 0.250 O 1.240 8 residues pruned to eliminate duplicates Z: 6 7.007 1.615 1.234 0.493 0.800 0.600 CB 1.094 Z: 20 13.107 1.778 0.205 0.753 0.947 0.789 CB 1.182 22 residues pruned to eliminate duplicates Z: 13 3.522 1.504 0.203 0.269 0.750 0.333 CB 0.974 13 residues pruned to eliminate duplicates Z: 8 14.681 1.797 0.492 0.849 1.000 0.857 CB 1.534 8 residues pruned to eliminate duplicates Z: 7 3.739 1.618 0.198 0.391 0.833 0.333 CB 1.060 7 residues pruned to eliminate duplicates Z: 15 13.662 1.695 0.735 0.757 1.000 0.786 CB 0.988 15 residues pruned to eliminate duplicates 7 0.897 1.520 -0.097 0.263 0.500 0.500 CB 0.700 ? Z: 11 4.730 1.537 0.723 0.497 0.800 0.500 CB 0.708 11 residues pruned to eliminate duplicates Z: 10 15.201 1.713 0.694 0.833 1.000 0.889 CB 1.310 10 residues pruned to eliminate duplicates Z: 9 2.563 1.478 0.277 0.229 0.750 0.500 CB 0.878 Z: 14 11.319 1.552 0.638 0.760 0.923 0.846 CB 1.062 14 residues pruned to eliminate duplicates Z: 8 5.993 1.466 0.603 0.724 0.714 0.429 O 1.103 8 residues pruned to eliminate duplicates Z: 34 22.950 1.813 0.795 0.586 0.909 0.788 CB 1.244 43 residues pruned to eliminate duplicates Z: 8 7.960 1.561 0.659 0.636 1.000 0.714 CB 1.022 10 residues pruned to eliminate duplicates Z: 22 5.063 1.549 0.207 0.386 0.810 0.524 CB 0.824 15 residues pruned to eliminate duplicates Z: 8 3.520 1.436 0.600 0.350 0.714 0.714 CA 0.954 8 residues pruned to eliminate duplicates Z: 10 2.533 1.466 0.241 0.269 0.778 0.444 CB 0.776 Z: 7 3.738 1.588 0.584 0.727 1.000 0.500 CB 0.494 Z: 16 16.439 1.782 0.504 0.696 0.933 0.533 N 1.419 15 residues pruned to eliminate duplicates Z: 6 4.227 1.416 0.237 0.610 1.000 0.800 CB 0.973 6 residues pruned to eliminate duplicates Z: 6 4.304 1.806 0.404 0.813 1.000 1.000 CB 0.578 6 residues pruned to eliminate duplicates Z: 12 12.403 1.729 0.810 0.803 1.000 0.545 CB 0.917 12 residues pruned to eliminate duplicates 8 1.663 1.295 0.408 0.207 0.571 0.429 O 0.853 ? Z: 6 3.517 1.390 0.403 0.682 1.000 0.800 CB 0.682 Z: 19 8.253 1.513 0.454 0.347 0.833 0.667 CB 1.252 20 residues pruned to eliminate duplicates Z: 6 3.023 1.285 0.703 0.284 0.800 0.600 CA 0.985 Z: 7 2.650 1.469 0.626 0.255 0.667 0.500 CB 0.900 Z: 8 2.278 1.342 0.327 0.213 0.857 0.571 CB 0.791 Z: 6 2.242 1.196 0.264 0.489 0.800 0.600 CB 0.838 Z: 8 3.455 1.505 0.679 0.266 0.714 0.571 CB 0.945 883 residues left after pruning, divided into chains as follows: A: 13 B: 16 C: 11 D: 14 E: 21 F: 6 G: 77 H: 13 I: 17 J: 8 K: 18 L: 10 M: 16 N: 13 O: 7 P: 9 Q: 6 R: 10 S: 8 T: 19 U: 8 V: 54 W: 14 X: 33 Y: 47 Z: 12 Z: 6 Z: 9 Z: 9 Z: 6 Z: 7 Z: 20 Z: 40 Z: 17 Z: 28 Z: 9 Z: 12 Z: 8 Z: 24 Z: 30 Z: 16 Z: 11 Z: 53 Z: 8 Z: 7 Z: 44 Z: 39 CC for partial structure against native data = 30.76 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.445, Connect. = 0.664 for dens.mod. cycle 1 = 0.300, Contrast = 0.524, Connect. = 0.690 for dens.mod. cycle 2 = 0.300, Contrast = 0.625, Connect. = 0.725 for dens.mod. cycle 3 = 0.300, Contrast = 0.643, Connect. = 0.729 for dens.mod. cycle 4 = 0.300, Contrast = 0.657, Connect. = 0.732 for dens.mod. cycle 5 = 0.300, Contrast = 0.662, Connect. = 0.735 for dens.mod. cycle 6 = 0.300, Contrast = 0.668, Connect. = 0.737 for dens.mod. cycle 7 = 0.300, Contrast = 0.669, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.739 for dens.mod. cycle 9 = 0.300, Contrast = 0.672, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3995 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1103 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 28.849 2.032 0.980 0.854 1.000 0.929 CB 1.416 B: 13 21.836 2.029 0.442 0.925 1.000 1.000 CB 1.512 13 residues pruned to eliminate duplicates C: 14 24.530 2.083 0.691 0.881 1.000 0.846 CB 1.399 14 residues pruned to eliminate duplicates D: 16 19.383 1.935 0.468 0.772 1.000 0.933 CB 1.386 E: 16 24.305 1.832 0.838 0.911 1.000 0.800 CB 1.322 16 residues pruned to eliminate duplicates F: 16 15.575 1.859 0.837 0.543 0.867 0.733 CB 1.303 G: 12 19.521 2.049 0.826 0.891 1.000 0.727 CB 1.131 H: 9 9.841 1.598 0.655 0.719 0.875 0.625 CA 1.234 I: 14 19.692 2.097 0.415 0.865 0.923 0.923 CB 1.461 14 residues pruned to eliminate duplicates J: 7 2.460 1.543 0.049 0.380 0.833 0.667 CB 0.846 K: 14 23.190 1.960 0.904 0.875 1.000 0.769 CB 1.253 14 residues pruned to eliminate duplicates L: 16 8.999 1.916 0.272 0.390 0.800 0.600 CB 1.340 M: 17 15.226 1.807 0.664 0.771 1.000 0.562 CB 0.996 N: 14 18.151 2.037 0.355 0.870 0.923 0.846 CB 1.443 12 residues pruned to eliminate duplicates O: 53 19.749 1.875 0.450 0.451 0.846 0.423 CB 1.252 25 residues pruned to eliminate duplicates P: 20 14.643 1.879 0.737 0.475 0.789 0.368 CB 1.337 20 residues pruned to eliminate duplicates Q: 16 18.603 1.891 0.619 0.825 0.933 0.800 CB 1.269 16 residues pruned to eliminate duplicates R: 13 22.805 2.035 0.624 0.861 1.000 0.750 CB 1.463 13 residues pruned to eliminate duplicates S: 17 16.797 1.812 1.038 0.610 0.938 0.688 CB 1.093 16 residues pruned to eliminate duplicates T: 10 13.722 1.731 0.624 0.830 0.889 0.667 CA 1.377 U: 18 23.958 1.786 0.867 0.852 0.941 0.765 CB 1.369 18 residues pruned to eliminate duplicates V: 13 11.086 1.982 0.261 0.885 1.000 0.917 CB 0.925 W: 7 9.889 1.684 0.574 0.688 1.000 0.667 CA 1.282 X: 31 16.146 1.792 0.479 0.388 0.933 0.600 CB 1.342 31 residues pruned to eliminate duplicates Y: 13 18.652 1.942 0.456 0.819 1.000 0.583 N 1.443 9 residues pruned to eliminate duplicates Z: 7 9.730 1.889 0.680 0.532 1.000 0.667 CB 1.213 Z: 14 11.595 1.925 0.580 0.849 0.923 0.769 CB 0.849 13 residues pruned to eliminate duplicates Z: 9 15.133 1.775 0.557 0.891 1.000 1.000 CA 1.391 9 residues pruned to eliminate duplicates Z: 10 14.763 1.804 0.707 0.913 1.000 0.889 CB 1.131 Z: 8 15.835 2.077 0.352 0.786 1.000 1.000 CA 1.656 16 residues pruned to eliminate duplicates Z: 14 18.752 1.769 0.598 0.841 1.000 0.846 CB 1.372 Z: 12 9.559 1.679 0.640 0.860 1.000 0.818 CB 0.770 Z: 10 11.584 1.485 0.723 0.884 1.000 0.889 CB 1.090 9 residues pruned to eliminate duplicates Z: 15 13.818 1.736 0.769 0.734 0.929 0.571 CB 1.050 Z: 31 21.939 1.974 0.439 0.573 0.967 0.767 CB 1.360 16 residues pruned to eliminate duplicates Z: 7 5.782 1.552 0.172 0.754 1.000 0.833 N 1.035 Z: 6 9.893 1.756 0.664 0.579 1.000 0.800 CB 1.404 Z: 15 13.763 1.759 0.341 0.898 1.000 0.929 CB 1.116 15 residues pruned to eliminate duplicates Z: 17 19.289 1.956 0.367 0.828 1.000 0.812 CB 1.358 13 residues pruned to eliminate duplicates Z: 8 5.640 1.786 0.161 0.752 0.857 0.571 CB 0.958 Z: 16 5.132 1.502 0.364 0.369 0.800 0.333 N 0.930 Z: 7 5.693 1.800 0.565 0.426 0.667 0.333 N 1.337 Z: 11 7.196 1.703 0.460 0.521 0.800 0.600 CB 1.121 11 residues pruned to eliminate duplicates Z: 9 9.169 1.663 0.749 0.590 0.875 0.875 CB 1.168 Z: 22 9.390 1.851 0.399 0.317 0.810 0.429 CB 1.196 22 residues pruned to eliminate duplicates Z: 6 10.338 1.648 0.647 0.819 1.000 1.000 CA 1.292 Z: 11 5.097 1.932 0.022 0.460 0.900 0.500 CB 0.944 Z: 15 21.779 1.981 0.644 0.703 1.000 0.857 CB 1.486 17 residues pruned to eliminate duplicates Z: 11 10.440 1.775 0.731 0.645 0.900 0.600 CB 1.043 Z: 16 15.125 1.895 0.436 0.773 0.933 0.800 CB 1.208 15 residues pruned to eliminate duplicates Z: 19 6.593 1.743 0.556 0.350 0.667 0.500 CB 1.012 13 residues pruned to eliminate duplicates Z: 10 11.307 1.677 0.605 0.667 0.889 0.778 CB 1.349 Z: 17 13.164 1.888 0.169 0.748 0.875 0.750 CB 1.366 17 residues pruned to eliminate duplicates Z: 6 10.371 2.018 0.754 0.731 1.000 0.600 CB 1.065 Z: 21 18.668 1.908 0.619 0.575 0.950 0.650 CB 1.323 8 residues pruned to eliminate duplicates Z: 40 18.630 1.901 0.665 0.405 0.821 0.538 CB 1.270 36 residues pruned to eliminate duplicates Z: 29 22.774 1.861 0.790 0.601 0.964 0.571 CB 1.217 27 residues pruned to eliminate duplicates Z: 12 16.414 1.778 0.920 0.813 0.909 0.545 CB 1.215 Z: 34 22.149 1.950 0.402 0.546 0.970 0.758 CB 1.390 34 residues pruned to eliminate duplicates Z: 11 18.939 1.958 0.682 0.877 1.000 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 14 15.898 1.887 0.582 0.843 1.000 0.846 CB 1.100 8 residues pruned to eliminate duplicates Z: 45 15.035 1.821 0.486 0.385 0.886 0.386 CB 1.068 45 residues pruned to eliminate duplicates Z: 13 7.410 1.839 0.171 0.426 0.917 0.583 CB 1.170 Z: 12 7.288 1.676 0.510 0.442 0.909 0.545 CB 1.014 Z: 16 15.879 1.788 0.645 0.594 0.867 0.600 CB 1.471 16 residues pruned to eliminate duplicates Z: 11 10.275 1.743 0.474 0.485 0.900 0.500 CB 1.427 Z: 13 9.074 1.696 0.502 0.491 0.833 0.583 CB 1.244 Z: 13 14.565 1.701 0.648 0.880 0.917 0.833 CB 1.186 Z: 18 17.796 1.863 0.541 0.775 0.941 0.706 CB 1.253 18 residues pruned to eliminate duplicates Z: 10 10.651 1.678 0.418 0.815 1.000 0.667 CB 1.135 8 residues pruned to eliminate duplicates Z: 13 9.666 1.777 0.706 0.867 0.917 0.917 CB 0.735 Z: 6 6.006 1.843 0.467 0.477 1.000 0.400 CA 1.016 6 residues pruned to eliminate duplicates Z: 12 11.716 1.905 0.488 0.718 1.000 1.000 CB 1.023 Z: 16 22.349 1.866 0.764 0.801 1.000 0.667 CB 1.348 15 residues pruned to eliminate duplicates Z: 15 18.072 1.848 0.547 0.890 1.000 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 19 7.543 1.789 0.556 0.343 0.667 0.389 CB 1.137 8 residues pruned to eliminate duplicates Z: 12 18.075 1.852 0.829 0.930 1.000 1.000 CB 1.126 8 residues pruned to eliminate duplicates Z: 28 12.260 1.783 0.397 0.391 0.815 0.519 CB 1.305 28 residues pruned to eliminate duplicates Z: 13 14.531 1.899 0.835 0.838 0.917 0.917 CB 0.981 13 residues pruned to eliminate duplicates Z: 9 8.574 1.447 0.545 0.814 1.000 0.750 CB 1.032 Z: 13 13.753 2.007 0.323 0.877 0.917 0.833 CB 1.185 13 residues pruned to eliminate duplicates Z: 8 9.181 1.509 0.730 0.738 1.000 0.857 CB 1.074 8 residues pruned to eliminate duplicates Z: 8 7.626 1.357 0.958 0.782 0.857 0.429 CA 0.987 Z: 15 19.957 1.942 0.425 0.853 1.000 0.643 CB 1.424 14 residues pruned to eliminate duplicates Z: 7 5.308 1.650 0.204 0.635 1.000 0.667 CB 0.962 7 residues pruned to eliminate duplicates Z: 10 6.318 1.786 0.815 0.611 0.889 0.778 CB 0.658 Z: 9 10.672 1.746 0.767 0.737 0.875 0.500 CB 1.130 9 residues pruned to eliminate duplicates Z: 12 16.882 1.719 0.621 0.821 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 15 15.399 1.821 0.637 0.713 0.786 0.500 CB 1.448 15 residues pruned to eliminate duplicates Z: 8 8.425 1.877 0.156 0.852 0.857 0.857 CB 1.266 8 residues pruned to eliminate duplicates Z: 35 21.369 1.731 0.744 0.570 0.882 0.735 CB 1.285 14 residues pruned to eliminate duplicates Z: 16 18.011 1.818 0.456 0.846 0.933 0.667 CB 1.398 16 residues pruned to eliminate duplicates Z: 9 12.170 1.842 0.622 0.733 0.875 0.625 CB 1.334 8 residues pruned to eliminate duplicates Z: 14 18.745 1.781 0.673 0.879 1.000 0.846 CB 1.266 Z: 7 6.740 1.861 0.147 0.692 0.833 0.500 CA 1.298 7 residues pruned to eliminate duplicates Z: 14 6.852 1.682 0.256 0.380 0.769 0.615 CB 1.330 8 residues pruned to eliminate duplicates Z: 18 14.295 1.781 0.704 0.827 0.882 0.765 CB 0.975 18 residues pruned to eliminate duplicates Z: 14 8.060 1.843 0.405 0.421 0.846 0.615 CB 1.108 14 residues pruned to eliminate duplicates Z: 14 21.037 1.908 0.696 0.913 0.923 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 27 16.920 1.920 0.517 0.511 0.923 0.615 CB 1.221 28 residues pruned to eliminate duplicates Z: 6 6.080 1.473 0.688 0.637 0.800 0.800 C 1.202 Z: 24 16.904 1.943 0.632 0.473 0.870 0.522 CB 1.313 20 residues pruned to eliminate duplicates Z: 32 22.344 1.948 0.484 0.569 0.935 0.710 CB 1.388 32 residues pruned to eliminate duplicates Z: 20 9.143 1.793 0.423 0.460 0.842 0.421 CB 1.017 21 residues pruned to eliminate duplicates Z: 14 9.863 1.706 0.492 0.530 0.923 0.615 CB 1.130 7 residues pruned to eliminate duplicates Z: 14 16.619 1.798 0.441 0.809 1.000 1.000 CB 1.359 14 residues pruned to eliminate duplicates Z: 15 15.443 1.906 0.674 0.786 1.000 0.786 CB 1.007 14 residues pruned to eliminate duplicates Z: 15 19.673 1.969 0.546 0.902 1.000 0.929 CB 1.231 20 residues pruned to eliminate duplicates Z: 16 10.845 1.866 0.527 0.502 0.800 0.467 CB 1.227 16 residues pruned to eliminate duplicates Z: 17 12.544 1.773 0.618 0.511 0.875 0.688 CB 1.236 17 residues pruned to eliminate duplicates Z: 12 3.770 1.568 0.294 0.421 0.636 0.455 CB 0.956 Z: 16 17.301 1.922 0.508 0.774 0.867 0.600 CB 1.396 16 residues pruned to eliminate duplicates Z: 16 14.035 1.832 0.658 0.496 0.867 0.667 CA 1.382 16 residues pruned to eliminate duplicates Z: 15 15.653 1.889 0.573 0.865 0.929 0.857 CB 1.111 Z: 14 19.071 1.891 0.884 0.886 1.000 0.923 CB 1.072 15 residues pruned to eliminate duplicates Z: 18 18.473 1.740 0.482 0.802 0.941 0.882 CB 1.417 17 residues pruned to eliminate duplicates Z: 6 9.804 1.838 0.513 0.638 1.000 1.000 CB 1.385 6 residues pruned to eliminate duplicates Z: 6 4.993 1.649 0.082 0.587 1.000 0.400 CB 1.152 Z: 16 19.557 1.844 0.634 0.803 0.867 0.600 CB 1.483 16 residues pruned to eliminate duplicates Z: 15 18.244 1.879 0.674 0.903 0.929 0.857 CB 1.190 15 residues pruned to eliminate duplicates Z: 15 12.962 1.933 0.251 0.852 0.857 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 6 5.553 1.577 0.856 0.479 0.800 0.600 N 1.084 Z: 22 13.729 1.819 0.871 0.465 0.810 0.524 CB 1.127 22 residues pruned to eliminate duplicates Z: 13 11.869 1.785 0.792 0.375 0.833 0.667 N 1.469 13 residues pruned to eliminate duplicates Z: 11 12.723 1.780 0.744 0.683 0.900 0.800 CB 1.218 11 residues pruned to eliminate duplicates Z: 9 8.740 1.573 0.407 0.754 0.875 0.875 N 1.272 9 residues pruned to eliminate duplicates Z: 13 4.258 1.480 0.065 0.484 0.833 0.417 CB 0.951 Z: 10 5.939 1.559 0.420 0.629 0.889 0.667 CB 0.891 9 residues pruned to eliminate duplicates Z: 16 20.141 1.882 0.669 0.905 0.933 0.733 CB 1.262 16 residues pruned to eliminate duplicates Z: 12 10.275 1.853 0.272 0.677 1.000 0.636 CB 1.117 5 residues pruned to eliminate duplicates Z: 16 19.257 1.968 0.347 0.860 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 14 23.265 1.978 0.865 0.671 1.000 0.692 CA 1.493 14 residues pruned to eliminate duplicates Z: 15 28.071 2.007 0.967 0.928 1.000 0.643 CB 1.331 19 residues pruned to eliminate duplicates Z: 29 12.995 1.727 0.438 0.585 0.821 0.571 CB 1.109 16 residues pruned to eliminate duplicates Z: 8 7.127 1.645 1.198 0.610 0.857 0.714 N 0.783 Z: 15 23.116 2.006 0.988 0.844 0.857 0.714 CB 1.345 15 residues pruned to eliminate duplicates Z: 8 5.450 1.603 0.377 0.347 0.857 0.571 CB 1.285 Z: 20 17.691 1.830 0.769 0.603 0.947 0.789 CB 1.200 14 residues pruned to eliminate duplicates Z: 16 19.265 1.851 0.705 0.856 0.933 0.733 CB 1.245 15 residues pruned to eliminate duplicates Z: 14 11.162 1.754 0.701 0.531 0.923 0.615 CB 1.091 13 residues pruned to eliminate duplicates Z: 12 13.120 1.794 0.789 0.677 0.909 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 15 21.508 1.940 0.879 0.613 1.000 0.786 CB 1.417 15 residues pruned to eliminate duplicates Z: 15 16.172 1.825 0.529 0.798 1.000 0.786 CB 1.194 17 residues pruned to eliminate duplicates Z: 16 18.134 1.784 0.654 0.889 1.000 0.800 CB 1.142 16 residues pruned to eliminate duplicates Z: 16 11.615 1.784 0.331 0.869 1.000 0.867 CB 0.923 16 residues pruned to eliminate duplicates Z: 8 3.789 1.570 0.325 0.283 0.714 0.429 N 1.231 Z: 18 9.166 1.791 0.507 0.370 0.765 0.529 CB 1.239 18 residues pruned to eliminate duplicates Z: 13 15.759 1.764 0.613 0.919 1.000 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 32 16.550 1.839 0.681 0.423 0.806 0.484 CB 1.292 32 residues pruned to eliminate duplicates Z: 10 14.467 1.836 0.796 0.616 1.000 0.778 CB 1.311 15 residues pruned to eliminate duplicates Z: 11 18.071 1.790 0.979 0.844 0.900 0.900 CB 1.334 9 residues pruned to eliminate duplicates Z: 9 10.901 1.697 0.570 0.840 1.000 0.875 CB 1.079 Z: 12 7.397 1.476 0.826 0.668 0.818 0.364 CB 0.866 Z: 23 16.176 1.871 0.718 0.578 0.864 0.500 CB 1.153 24 residues pruned to eliminate duplicates Z: 9 11.102 1.683 0.930 0.707 0.875 0.625 CB 1.144 Z: 6 2.944 1.422 0.573 0.329 0.600 0.200 N 1.183 Z: 14 17.297 1.929 0.762 0.822 1.000 0.615 CB 1.068 14 residues pruned to eliminate duplicates Z: 10 12.873 1.716 0.499 0.769 1.000 0.667 CB 1.315 10 residues pruned to eliminate duplicates Z: 7 3.577 1.884 -0.079 0.353 0.667 0.500 CB 1.479 Z: 6 3.507 1.507 0.502 0.428 0.800 0.600 CB 0.933 Z: 12 12.682 1.790 0.601 0.870 0.818 0.636 CA 1.191 12 residues pruned to eliminate duplicates Z: 16 24.039 1.876 0.745 0.816 0.933 0.533 CB 1.544 16 residues pruned to eliminate duplicates Z: 33 22.112 1.896 0.458 0.560 0.938 0.688 CB 1.423 33 residues pruned to eliminate duplicates Z: 15 14.241 1.974 0.621 0.884 0.857 0.857 CB 1.003 15 residues pruned to eliminate duplicates Z: 18 23.218 1.894 0.620 0.830 0.941 0.706 CB 1.466 18 residues pruned to eliminate duplicates Z: 19 10.394 1.649 0.502 0.376 0.833 0.444 CB 1.354 19 residues pruned to eliminate duplicates Z: 12 12.361 1.661 0.669 0.813 0.909 0.636 CB 1.126 Z: 9 7.890 1.649 0.767 0.583 0.875 0.750 CB 1.010 8 residues pruned to eliminate duplicates Z: 8 6.596 1.626 0.714 0.448 0.857 0.714 CB 1.101 6 1.901 1.356 0.365 0.283 0.800 0.600 CB 0.733 ? Z: 12 9.756 1.845 0.506 0.494 0.909 0.818 CB 1.172 12 residues pruned to eliminate duplicates Z: 16 14.987 1.808 0.450 0.843 0.933 0.867 CB 1.178 16 residues pruned to eliminate duplicates Z: 16 19.505 1.900 0.379 0.812 1.000 0.800 CB 1.466 16 residues pruned to eliminate duplicates Z: 13 3.986 1.562 0.698 0.198 0.500 0.417 CB 1.243 Z: 15 12.055 1.795 0.151 0.873 1.000 0.929 CB 1.136 15 residues pruned to eliminate duplicates Z: 13 9.530 1.981 0.228 0.458 0.833 0.417 CB 1.417 13 residues pruned to eliminate duplicates Z: 12 13.537 1.768 0.821 0.576 0.818 0.727 CA 1.440 14 residues pruned to eliminate duplicates Z: 8 12.079 1.656 0.594 0.683 1.000 0.857 CA 1.462 8 residues pruned to eliminate duplicates Z: 6 5.916 1.780 0.625 0.736 1.000 0.600 CB 0.740 6 residues pruned to eliminate duplicates Z: 14 18.247 1.740 0.623 0.845 1.000 0.923 CB 1.332 12 residues pruned to eliminate duplicates Z: 6 8.437 1.822 0.577 0.822 0.800 0.800 CA 1.242 Z: 14 17.010 1.897 0.616 0.626 1.000 0.769 CB 1.367 20 residues pruned to eliminate duplicates Z: 15 18.163 2.008 0.297 0.818 1.000 0.714 CB 1.414 15 residues pruned to eliminate duplicates Z: 7 3.792 1.443 0.401 0.650 0.667 0.500 CB 0.999 Z: 9 16.440 1.904 0.587 0.735 1.000 0.875 CA 1.558 9 residues pruned to eliminate duplicates Z: 8 9.996 1.626 1.250 0.665 0.857 0.714 CB 1.034 Z: 36 21.939 1.974 0.704 0.451 0.886 0.657 CB 1.308 36 residues pruned to eliminate duplicates Z: 10 15.103 1.772 0.718 0.882 1.000 0.889 CB 1.196 10 residues pruned to eliminate duplicates Z: 7 7.508 1.573 0.305 0.883 1.000 1.000 CB 1.079 7 residues pruned to eliminate duplicates Z: 14 15.180 1.919 0.386 0.818 1.000 0.769 CB 1.200 14 residues pruned to eliminate duplicates Z: 9 11.247 1.814 0.644 0.730 0.875 0.750 CB 1.239 Z: 19 30.003 1.919 0.791 0.848 1.000 0.667 CB 1.526 19 residues pruned to eliminate duplicates Z: 14 15.212 1.889 0.591 0.869 1.000 0.923 CB 1.025 14 residues pruned to eliminate duplicates Z: 16 18.855 1.761 0.508 0.825 0.933 0.867 CB 1.482 16 residues pruned to eliminate duplicates Z: 19 21.363 1.990 0.621 0.630 0.944 0.722 CB 1.463 16 residues pruned to eliminate duplicates Z: 10 11.671 1.846 0.459 0.862 1.000 0.778 CB 1.061 10 residues pruned to eliminate duplicates Z: 6 4.071 1.479 0.475 0.769 0.600 0.600 CB 1.096 Z: 7 9.666 1.983 0.391 0.766 0.833 0.667 CB 1.356 7 residues pruned to eliminate duplicates Z: 15 16.194 1.872 0.752 0.877 1.000 0.786 CB 0.958 15 residues pruned to eliminate duplicates Z: 23 9.970 1.656 0.491 0.538 0.864 0.773 CB 0.960 11 residues pruned to eliminate duplicates Z: 17 17.012 1.869 0.676 0.808 0.938 0.750 CB 1.108 18 residues pruned to eliminate duplicates Z: 14 7.988 1.585 0.571 0.411 0.846 0.462 CB 1.155 14 residues pruned to eliminate duplicates Z: 9 7.662 1.612 0.244 0.531 1.000 0.750 CB 1.310 5 residues pruned to eliminate duplicates Z: 7 10.096 1.951 0.395 0.888 1.000 1.000 CB 1.091 7 residues pruned to eliminate duplicates Z: 13 9.464 1.711 0.577 0.471 0.917 0.667 CA 1.138 13 residues pruned to eliminate duplicates Z: 7 2.658 1.303 -0.022 0.471 1.000 0.500 CB 0.877 5 residues pruned to eliminate duplicates Z: 22 18.397 1.918 0.517 0.596 1.000 0.952 CB 1.259 22 residues pruned to eliminate duplicates Z: 11 4.528 1.607 0.517 0.224 0.700 0.300 CB 1.159 Z: 10 8.994 1.752 0.640 0.872 1.000 0.889 CB 0.760 Z: 7 3.037 1.524 0.318 0.603 0.667 0.667 CB 0.839 Z: 25 16.793 1.893 0.690 0.442 0.958 0.667 CB 1.187 25 residues pruned to eliminate duplicates Z: 14 13.892 1.829 0.678 0.775 1.000 0.923 CB 0.985 14 residues pruned to eliminate duplicates Z: 17 17.084 1.745 0.368 0.909 1.000 0.938 CB 1.270 17 residues pruned to eliminate duplicates Z: 15 11.393 1.699 0.471 0.901 0.929 0.786 CB 0.936 10 residues pruned to eliminate duplicates Z: 7 3.730 1.686 0.091 0.553 0.833 0.500 CB 0.943 Z: 9 5.476 1.439 0.377 0.701 0.625 0.500 O 1.300 4 residues pruned to eliminate duplicates Z: 12 2.619 1.516 0.280 0.182 0.636 0.182 CB 0.937 Z: 6 2.098 1.713 0.017 0.234 0.800 0.600 CB 0.916 Z: 15 13.268 1.839 0.436 0.857 0.929 0.857 CB 1.066 15 residues pruned to eliminate duplicates Z: 6 4.127 1.836 0.217 0.446 0.800 0.200 N 1.092 6 residues pruned to eliminate duplicates Z: 17 18.598 1.882 0.714 0.768 0.875 0.688 CB 1.299 17 residues pruned to eliminate duplicates Z: 7 2.907 1.641 -0.018 0.567 0.833 0.667 CB 0.829 Z: 9 8.967 1.680 0.305 0.690 1.000 0.625 CB 1.215 Z: 20 16.601 1.935 0.599 0.441 1.000 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 6 6.927 1.694 0.184 0.841 1.000 1.000 CB 1.152 6 residues pruned to eliminate duplicates Z: 22 12.697 1.732 0.679 0.432 0.857 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 7 3.344 1.546 0.367 0.312 0.667 0.500 CB 1.193 Z: 15 13.582 1.899 0.546 0.738 0.929 0.857 CB 1.076 15 residues pruned to eliminate duplicates Z: 20 8.412 1.712 0.644 0.284 0.842 0.474 CB 1.039 Z: 14 5.437 1.541 0.726 0.339 0.769 0.615 CB 0.879 Z: 6 4.066 1.406 0.869 0.309 1.000 0.400 CB 0.856 Z: 12 7.071 1.753 0.048 0.547 0.909 0.636 CB 1.219 12 residues pruned to eliminate duplicates Z: 8 12.422 1.691 0.546 0.889 0.857 0.714 O 1.508 8 residues pruned to eliminate duplicates Z: 9 4.828 1.552 0.366 0.724 0.750 0.625 CB 0.877 9 residues pruned to eliminate duplicates Z: 14 14.131 1.780 0.431 0.791 0.846 0.308 CB 1.408 14 residues pruned to eliminate duplicates Z: 11 7.667 1.749 0.370 0.710 0.900 0.700 CB 0.929 11 residues pruned to eliminate duplicates Z: 16 8.233 1.922 0.583 0.371 0.800 0.467 CB 1.002 11 residues pruned to eliminate duplicates Z: 13 12.487 1.821 0.559 0.550 0.917 0.750 CB 1.319 14 residues pruned to eliminate duplicates Z: 7 9.264 1.642 1.145 0.682 0.667 0.333 CB 1.363 10 residues pruned to eliminate duplicates Z: 9 6.408 1.546 0.658 0.688 0.875 0.500 CB 0.850 9 residues pruned to eliminate duplicates Z: 13 5.062 1.489 0.377 0.400 0.667 0.333 O 1.189 Z: 10 5.810 1.688 0.763 0.468 1.000 0.778 CB 0.672 Z: 7 9.871 1.833 0.997 0.848 1.000 0.833 CB 0.817 8 residues pruned to eliminate duplicates Z: 13 8.687 1.553 0.947 0.448 0.833 0.583 CB 1.050 Z: 9 5.459 1.838 0.005 0.742 1.000 0.875 CB 0.842 Z: 6 2.308 1.462 0.112 0.515 0.600 0.600 O 1.042 Z: 13 21.152 2.035 0.764 0.899 0.917 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 16 10.717 1.827 0.145 0.857 1.000 0.733 CB 0.975 16 residues pruned to eliminate duplicates Z: 7 5.016 1.735 0.108 0.770 1.000 0.833 CB 0.839 Z: 12 11.912 1.716 0.725 0.595 0.909 0.818 CB 1.218 9 residues pruned to eliminate duplicates Z: 13 8.900 1.742 0.601 0.485 0.833 0.583 CB 1.123 8 residues pruned to eliminate duplicates Z: 16 18.437 1.922 0.750 0.773 0.933 0.867 CB 1.191 16 residues pruned to eliminate duplicates Z: 13 15.288 1.716 0.571 0.879 1.000 0.583 CB 1.187 13 residues pruned to eliminate duplicates Z: 9 4.861 1.643 -0.032 0.733 0.875 0.750 CB 1.002 Z: 7 5.796 1.589 0.521 0.623 0.833 0.500 CB 1.046 Z: 9 9.467 1.684 0.202 0.884 1.000 0.750 CB 1.195 Z: 17 18.448 1.855 0.388 0.828 0.938 0.812 CB 1.439 17 residues pruned to eliminate duplicates Z: 8 6.988 1.489 0.602 0.542 0.857 0.857 CA 1.239 Z: 14 13.280 1.683 0.166 0.929 1.000 0.923 CA 1.313 13 residues pruned to eliminate duplicates Z: 10 7.671 1.856 0.262 0.451 0.889 0.667 CB 1.292 12 residues pruned to eliminate duplicates Z: 12 16.792 1.721 0.887 0.835 0.909 0.636 N 1.284 12 residues pruned to eliminate duplicates Z: 13 6.800 1.636 0.323 0.376 1.000 0.417 CB 1.035 Z: 16 8.383 1.707 0.577 0.385 0.867 0.333 CB 1.049 16 residues pruned to eliminate duplicates Z: 13 16.351 1.777 0.480 0.929 1.000 0.833 CB 1.256 13 residues pruned to eliminate duplicates Z: 7 3.935 1.587 0.458 0.773 0.667 0.667 CB 0.818 Z: 35 17.036 1.902 0.400 0.493 0.882 0.500 CB 1.252 35 residues pruned to eliminate duplicates Z: 15 15.384 1.825 0.422 0.884 1.000 1.000 CB 1.146 15 residues pruned to eliminate duplicates Z: 8 6.428 1.429 0.873 0.423 0.857 0.571 O 1.147 Z: 35 15.757 1.890 0.301 0.473 0.912 0.676 CB 1.240 35 residues pruned to eliminate duplicates Z: 12 16.744 1.929 0.797 0.889 1.000 0.727 CB 1.049 12 residues pruned to eliminate duplicates 6 1.961 1.479 -0.005 0.297 0.600 0.600 N 1.246 ? Z: 10 8.157 1.541 0.514 0.414 1.000 0.778 O 1.275 10 residues pruned to eliminate duplicates Z: 20 8.263 1.567 0.600 0.316 0.789 0.474 CB 1.173 21 residues pruned to eliminate duplicates Z: 9 8.676 1.726 0.407 0.801 1.000 0.625 CB 0.971 9 residues pruned to eliminate duplicates Z: 13 12.966 1.666 0.575 0.866 0.917 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 12 7.737 1.585 0.688 0.562 0.818 0.636 CB 1.004 12 residues pruned to eliminate duplicates Z: 18 6.539 1.569 0.277 0.368 0.882 0.353 CB 1.034 12 residues pruned to eliminate duplicates Z: 12 15.365 1.777 0.890 0.820 1.000 0.455 CB 1.045 16 residues pruned to eliminate duplicates Z: 10 4.967 1.418 0.350 0.688 0.778 0.444 CB 0.936 10 residues pruned to eliminate duplicates Z: 10 3.774 1.463 0.259 0.369 1.000 0.667 N 0.786 Z: 24 8.220 1.553 0.522 0.392 0.826 0.565 CB 0.985 24 residues pruned to eliminate duplicates Z: 18 19.389 1.723 0.515 0.824 1.000 0.647 CB 1.361 18 residues pruned to eliminate duplicates Z: 12 17.551 1.838 0.743 0.925 1.000 0.909 CB 1.160 12 residues pruned to eliminate duplicates Z: 6 3.116 1.797 0.292 0.326 0.600 0.400 CB 1.212 Z: 8 6.982 1.787 0.295 0.580 1.000 0.714 CB 1.056 Z: 10 4.720 1.523 0.552 0.721 0.778 0.667 CB 0.701 10 residues pruned to eliminate duplicates Z: 10 7.126 1.671 0.716 0.393 1.000 0.667 CB 0.928 10 residues pruned to eliminate duplicates Z: 7 2.275 1.725 0.280 0.479 0.667 0.333 CB 0.644 7 residues pruned to eliminate duplicates Z: 6 2.471 1.468 0.847 0.273 0.600 0.400 CB 0.880 Z: 9 2.233 1.222 0.322 0.420 0.750 0.375 O 0.708 9 residues pruned to eliminate duplicates Z: 13 4.570 1.540 0.415 0.345 0.833 0.750 CB 0.859 15 residues pruned to eliminate duplicates Z: 10 4.894 1.600 0.541 0.259 0.778 0.333 CB 1.121 Z: 12 7.906 1.739 0.689 0.893 1.000 0.818 CB 0.583 12 residues pruned to eliminate duplicates Z: 9 5.579 1.652 0.613 0.307 0.875 0.500 CB 1.048 Z: 12 5.682 1.750 0.299 0.330 0.727 0.636 CB 1.248 12 residues pruned to eliminate duplicates 6 0.913 1.763 0.820 0.643 0.800 0.600 CB 0.139 ? Z: 14 5.771 1.708 0.109 0.439 0.692 0.538 CB 1.301 13 residues pruned to eliminate duplicates Z: 7 3.433 1.633 0.440 0.495 0.833 0.833 CB 0.719 8 residues pruned to eliminate duplicates Z: 11 6.411 1.695 0.353 0.478 0.700 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 7 5.777 1.334 0.844 0.650 1.000 0.667 CB 0.834 Z: 31 20.126 1.912 0.575 0.497 0.900 0.567 CB 1.359 31 residues pruned to eliminate duplicates Z: 6 6.700 1.403 0.802 0.826 1.000 0.600 CB 0.894 Z: 6 2.221 1.337 0.854 0.299 0.600 0.400 N 0.837 Z: 15 13.627 1.768 0.454 0.883 1.000 0.857 CB 1.024 15 residues pruned to eliminate duplicates Z: 13 16.362 1.785 0.666 0.904 1.000 0.917 CB 1.131 13 residues pruned to eliminate duplicates Z: 8 8.726 1.790 0.858 0.364 1.000 0.714 CB 1.148 8 residues pruned to eliminate duplicates Z: 32 22.104 1.956 0.382 0.584 0.968 0.677 CB 1.400 32 residues pruned to eliminate duplicates Z: 9 8.084 1.341 0.615 0.780 1.000 0.750 N 1.031 Z: 13 15.258 1.732 0.513 0.809 1.000 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 10 2.855 1.484 1.172 0.235 0.556 0.222 CB 0.723 Z: 6 2.434 1.514 0.013 0.297 0.800 0.400 CB 1.113 Z: 6 3.317 1.458 0.346 0.487 1.000 0.600 CB 0.766 Z: 8 3.541 1.466 0.444 0.552 0.857 0.571 CB 0.701 Z: 11 4.480 1.547 0.212 0.490 0.800 0.500 CB 0.954 10 residues pruned to eliminate duplicates Z: 14 17.332 1.754 0.542 0.832 1.000 0.692 CB 1.334 15 residues pruned to eliminate duplicates Z: 17 16.003 1.813 0.266 0.763 1.000 0.875 CB 1.380 17 residues pruned to eliminate duplicates Z: 6 2.279 1.582 0.290 0.801 0.800 0.800 CB 0.480 Z: 13 23.317 2.088 0.499 0.915 1.000 0.917 CB 1.520 13 residues pruned to eliminate duplicates Z: 15 16.288 1.900 0.609 0.821 0.929 0.643 CB 1.161 15 residues pruned to eliminate duplicates Z: 14 16.236 1.734 0.544 0.861 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 16.235 1.772 0.670 0.868 0.917 0.750 CB 1.263 13 residues pruned to eliminate duplicates Z: 10 7.132 1.576 0.028 0.707 1.000 0.889 CB 1.215 11 residues pruned to eliminate duplicates Z: 7 3.953 1.362 0.293 0.462 0.833 0.333 O 1.143 Z: 11 10.003 1.620 0.296 0.594 1.000 0.700 CB 1.378 12 residues pruned to eliminate duplicates Z: 8 8.850 1.606 0.439 0.646 1.000 0.571 CB 1.263 Z: 8 7.250 1.697 0.456 0.709 0.857 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 10 5.612 1.767 0.156 0.500 0.889 0.667 CB 1.030 9 residues pruned to eliminate duplicates Z: 14 11.161 1.682 0.580 0.867 0.923 0.923 CB 0.923 14 residues pruned to eliminate duplicates Z: 7 2.038 1.483 0.220 0.239 0.667 0.500 O 0.934 7 residues pruned to eliminate duplicates Z: 11 6.302 1.607 0.512 0.302 0.900 0.400 CB 1.137 12 residues pruned to eliminate duplicates Z: 6 4.396 1.600 0.010 0.667 1.000 0.400 N 1.043 7 1.195 1.350 0.352 0.246 0.667 0.167 CB 0.537 ? Z: 8 5.822 1.618 0.295 0.623 0.857 0.714 CB 1.091 Z: 11 8.494 1.547 0.226 0.881 1.000 1.000 CB 1.025 9 residues pruned to eliminate duplicates Z: 8 12.216 1.724 0.325 0.860 1.000 0.857 CA 1.486 8 residues pruned to eliminate duplicates Z: 12 17.435 1.808 0.633 0.836 1.000 0.909 CA 1.333 12 residues pruned to eliminate duplicates Z: 8 5.882 1.670 0.198 0.633 0.857 0.571 CB 1.144 Z: 8 9.763 1.639 0.460 0.611 1.000 0.571 CB 1.388 Z: 6 5.664 1.673 0.407 0.597 1.000 0.600 CA 0.981 6 residues pruned to eliminate duplicates Z: 9 17.908 1.721 1.168 0.878 1.000 0.750 CB 1.231 9 residues pruned to eliminate duplicates Z: 12 12.617 1.680 0.589 0.860 1.000 0.818 CA 1.048 12 residues pruned to eliminate duplicates Z: 12 7.674 1.641 0.541 0.489 0.909 0.636 CB 1.018 17 residues pruned to eliminate duplicates Z: 9 12.644 1.772 0.825 0.519 0.875 0.625 CB 1.551 9 residues pruned to eliminate duplicates Z: 7 5.723 1.546 0.626 0.626 0.833 0.500 CB 0.991 Z: 11 10.604 1.552 0.520 0.890 1.000 0.800 CB 1.023 11 residues pruned to eliminate duplicates Z: 20 17.158 1.843 0.606 0.606 0.947 0.842 CB 1.269 20 residues pruned to eliminate duplicates Z: 47 13.914 1.735 0.501 0.368 0.783 0.304 CB 1.160 47 residues pruned to eliminate duplicates Z: 22 10.985 1.603 0.688 0.533 0.905 0.619 CB 0.948 22 residues pruned to eliminate duplicates Z: 13 23.227 1.971 0.921 0.893 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 6 2.617 1.780 0.539 0.836 1.000 0.800 CB 0.320 Z: 16 13.905 1.776 0.390 0.895 1.000 0.867 CB 1.042 15 residues pruned to eliminate duplicates Z: 9 7.567 1.550 0.724 0.393 1.000 0.750 CA 1.121 Z: 6 2.899 1.483 -0.030 0.668 0.800 0.800 CB 0.965 Z: 16 9.151 1.606 0.457 0.751 0.867 0.733 CB 0.931 16 residues pruned to eliminate duplicates Z: 11 8.910 1.670 0.162 0.777 0.900 0.800 CB 1.263 11 residues pruned to eliminate duplicates Z: 31 19.635 1.887 0.421 0.611 0.967 0.633 CB 1.244 31 residues pruned to eliminate duplicates Z: 12 8.317 1.713 0.410 0.909 0.909 0.727 CB 0.810 12 residues pruned to eliminate duplicates Z: 17 6.589 1.558 0.362 0.270 0.875 0.438 CB 1.151 22 residues pruned to eliminate duplicates Z: 7 4.687 1.347 0.679 0.822 1.000 0.833 CB 0.640 6 residues pruned to eliminate duplicates Z: 9 3.954 1.589 -0.113 0.764 1.000 0.875 CB 0.785 Z: 8 4.757 1.536 0.201 0.629 1.000 0.571 CB 0.863 8 residues pruned to eliminate duplicates Z: 7 6.285 1.786 0.372 0.812 1.000 0.667 CB 0.798 Z: 21 8.567 1.565 0.510 0.365 0.800 0.450 CB 1.172 Z: 17 5.537 1.573 0.459 0.287 0.750 0.438 CB 1.021 26 residues pruned to eliminate duplicates Z: 10 8.347 1.738 0.597 0.456 0.889 0.444 N 1.179 10 residues pruned to eliminate duplicates Z: 17 18.081 1.879 0.666 0.796 1.000 0.750 CB 1.114 17 residues pruned to eliminate duplicates Z: 6 4.521 1.686 0.966 0.619 0.800 0.800 CB 0.681 Z: 6 4.450 1.478 0.550 0.421 0.800 0.600 N 1.179 Z: 9 13.106 1.751 0.452 0.786 1.000 0.875 CB 1.417 9 residues pruned to eliminate duplicates Z: 11 7.282 1.729 0.435 0.575 1.000 0.800 CB 0.863 8 residues pruned to eliminate duplicates Z: 9 16.227 1.834 0.644 0.821 1.000 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 7 3.011 1.228 0.459 0.589 0.833 0.667 N 0.757 Z: 8 5.203 1.395 0.372 0.383 1.000 0.571 O 1.164 Z: 14 10.303 1.678 0.697 0.623 1.000 0.692 CB 0.894 21 residues pruned to eliminate duplicates Z: 15 8.438 1.807 0.277 0.821 0.857 0.786 CB 0.863 15 residues pruned to eliminate duplicates Z: 20 19.607 1.661 0.889 0.827 0.895 0.789 CB 1.208 20 residues pruned to eliminate duplicates Z: 12 16.403 1.743 0.919 0.884 1.000 0.727 CB 1.068 31 residues pruned to eliminate duplicates Z: 12 17.358 1.857 0.546 0.908 1.000 1.000 CB 1.294 12 residues pruned to eliminate duplicates Z: 15 13.117 1.639 0.740 0.637 0.929 0.643 CB 1.165 15 residues pruned to eliminate duplicates Z: 6 6.195 1.602 1.093 0.815 1.000 0.800 CB 0.629 Z: 7 3.214 1.457 0.430 0.759 1.000 0.667 CB 0.500 Z: 8 8.646 1.492 0.983 0.731 0.857 0.429 N 1.047 8 residues pruned to eliminate duplicates Z: 6 4.171 1.617 0.329 0.745 0.800 0.800 CB 0.871 Z: 8 3.952 1.738 0.547 0.307 0.571 0.571 CB 1.205 8 residues pruned to eliminate duplicates Z: 10 12.812 1.789 0.621 0.694 1.000 0.667 CB 1.233 10 residues pruned to eliminate duplicates Z: 14 7.138 1.647 0.406 0.436 0.769 0.538 CB 1.188 8 residues pruned to eliminate duplicates Z: 6 3.645 1.484 -0.104 0.490 1.000 0.800 O 1.237 5 residues pruned to eliminate duplicates Z: 6 5.747 1.752 0.596 0.486 0.800 0.600 CB 1.166 Z: 7 3.567 1.361 0.223 0.678 0.833 0.500 C 0.891 Z: 13 13.416 1.732 0.363 0.895 1.000 0.833 CB 1.176 13 residues pruned to eliminate duplicates Z: 13 11.618 1.565 0.782 0.753 0.917 0.833 CB 1.047 8 residues pruned to eliminate duplicates Z: 7 3.691 1.525 0.457 0.279 0.833 0.500 N 1.044 Z: 14 15.575 1.935 0.430 0.780 0.846 0.692 CB 1.442 14 residues pruned to eliminate duplicates Z: 12 8.831 1.627 0.470 0.506 0.818 0.545 N 1.352 8 residues pruned to eliminate duplicates Z: 7 3.979 1.710 0.155 0.249 1.000 0.833 CB 1.097 Z: 6 2.228 1.428 0.408 0.721 1.000 0.800 CB 0.406 Z: 6 4.980 1.412 0.662 0.787 0.800 0.600 CB 0.922 Z: 6 4.451 1.587 0.501 0.631 1.000 0.600 CB 0.739 Z: 12 15.188 1.686 0.612 0.924 1.000 0.909 CB 1.183 12 residues pruned to eliminate duplicates Z: 28 20.564 1.908 0.475 0.563 0.889 0.556 CB 1.489 28 residues pruned to eliminate duplicates Z: 34 22.755 1.945 0.735 0.491 0.970 0.727 CB 1.221 36 residues pruned to eliminate duplicates Z: 27 14.533 1.636 0.429 0.571 0.923 0.577 CB 1.233 30 residues pruned to eliminate duplicates Z: 6 6.834 1.577 0.319 0.640 1.000 0.800 O 1.288 Z: 8 5.948 1.894 0.388 0.420 0.857 0.429 CB 1.085 8 residues pruned to eliminate duplicates Z: 8 6.337 1.365 0.405 0.784 0.857 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 10 4.363 1.396 0.789 0.370 0.778 0.444 CB 0.860 Z: 7 3.800 1.208 0.366 0.491 1.000 0.333 CB 0.949 Z: 10 5.630 1.602 0.561 0.541 0.778 0.667 CB 0.927 8 residues pruned to eliminate duplicates Z: 17 10.658 1.573 0.914 0.425 0.812 0.438 N 1.178 17 residues pruned to eliminate duplicates Z: 30 23.732 2.009 0.710 0.595 0.897 0.690 CB 1.307 30 residues pruned to eliminate duplicates Z: 12 4.804 1.518 0.616 0.370 0.727 0.636 CB 0.933 Z: 6 5.146 1.238 0.565 0.826 1.000 0.800 CB 0.896 Z: 25 12.624 1.830 0.210 0.565 0.833 0.667 CB 1.311 25 residues pruned to eliminate duplicates Z: 12 16.285 1.759 0.882 0.846 1.000 0.909 CB 1.102 12 residues pruned to eliminate duplicates Z: 16 4.359 1.610 0.288 0.261 0.667 0.333 CB 1.070 6 residues pruned to eliminate duplicates Z: 18 13.049 1.875 0.674 0.487 0.941 0.706 CB 1.085 14 residues pruned to eliminate duplicates Z: 10 10.567 1.917 0.790 0.854 1.000 0.889 CB 0.758 10 residues pruned to eliminate duplicates Z: 7 6.303 1.729 0.411 0.598 0.833 0.333 N 1.153 Z: 14 15.643 1.673 0.847 0.735 1.000 0.615 CB 1.137 14 residues pruned to eliminate duplicates Z: 9 14.501 1.769 0.560 0.733 1.000 0.750 CB 1.507 Z: 10 4.972 1.751 0.249 0.365 0.778 0.333 CB 1.126 Z: 20 7.736 1.497 0.327 0.392 0.789 0.474 O 1.268 15 residues pruned to eliminate duplicates Z: 14 2.921 1.457 0.555 0.261 0.692 0.308 N 0.679 14 residues pruned to eliminate duplicates Z: 8 3.095 1.442 0.341 0.286 0.714 0.286 C 1.078 6 1.884 1.508 -0.220 0.444 0.800 0.400 CB 0.948 ? Z: 11 6.842 1.553 0.294 0.872 1.000 0.900 CB 0.785 11 residues pruned to eliminate duplicates Z: 7 4.916 1.463 0.430 0.553 1.000 0.667 N 0.911 Z: 6 3.134 1.492 0.251 0.613 0.800 0.600 CB 0.843 6 residues pruned to eliminate duplicates Z: 11 6.384 1.616 0.103 0.764 0.800 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 6 8.754 1.651 0.969 0.423 1.000 0.400 CB 1.304 Z: 12 4.183 1.665 0.136 0.374 0.727 0.273 CB 1.049 12 residues pruned to eliminate duplicates Z: 12 14.309 2.066 0.343 0.570 1.000 0.636 CB 1.452 12 residues pruned to eliminate duplicates Z: 22 19.730 1.917 0.572 0.593 1.000 0.762 CB 1.308 22 residues pruned to eliminate duplicates Z: 10 10.903 1.772 0.818 0.434 0.889 0.444 O 1.359 14 residues pruned to eliminate duplicates Z: 9 4.162 1.653 0.695 0.398 0.875 0.375 CB 0.668 Z: 6 3.124 1.523 0.470 0.602 0.800 0.600 CB 0.708 Z: 13 9.145 1.636 0.468 0.764 0.917 0.750 CB 0.949 13 residues pruned to eliminate duplicates Z: 45 16.080 1.775 0.722 0.476 0.750 0.432 CB 1.084 20 residues pruned to eliminate duplicates Z: 11 9.183 1.588 0.228 0.648 1.000 0.400 O 1.298 12 residues pruned to eliminate duplicates Z: 8 2.798 1.338 0.456 0.330 0.714 0.571 CB 0.915 7 residues pruned to eliminate duplicates Z: 9 6.007 1.569 0.511 0.402 0.750 0.625 N 1.324 9 residues pruned to eliminate duplicates Z: 18 25.235 1.942 0.474 0.861 1.000 0.706 CB 1.572 18 residues pruned to eliminate duplicates Z: 18 8.771 1.798 0.449 0.442 0.882 0.529 CB 0.983 18 residues pruned to eliminate duplicates Z: 6 3.064 1.237 0.612 0.579 0.800 0.400 CB 0.796 Z: 10 5.978 1.592 0.130 0.582 0.889 0.556 CB 1.152 10 residues pruned to eliminate duplicates Z: 8 4.579 1.611 0.049 0.639 1.000 0.571 N 0.899 Z: 10 4.211 1.373 0.390 0.339 0.889 0.667 CB 0.986 7 residues pruned to eliminate duplicates Z: 8 6.137 1.869 0.372 0.610 0.857 0.429 CB 0.951 8 residues pruned to eliminate duplicates Z: 9 7.731 1.625 0.933 0.519 0.750 0.500 CB 1.138 Z: 10 3.464 1.441 0.510 0.153 0.667 0.222 CA 1.219 Z: 30 14.223 1.710 0.546 0.537 0.897 0.483 CB 1.075 33 residues pruned to eliminate duplicates Z: 6 4.462 1.609 0.252 0.493 0.800 0.800 O 1.247 Z: 6 4.687 1.378 0.711 0.854 0.800 0.800 N 0.821 Z: 8 5.941 1.475 0.792 0.544 0.857 0.429 CB 0.949 6 residues pruned to eliminate duplicates Z: 8 3.349 1.467 0.807 0.340 0.714 0.714 CB 0.796 8 residues pruned to eliminate duplicates Z: 8 6.485 1.577 0.218 0.565 1.000 0.571 N 1.199 Z: 10 7.934 1.664 0.489 0.543 0.778 0.667 CB 1.316 11 residues pruned to eliminate duplicates Z: 20 12.705 1.828 0.414 0.445 0.842 0.526 CB 1.417 12 residues pruned to eliminate duplicates Z: 6 5.843 1.678 1.029 0.480 0.600 0.600 N 1.305 Z: 14 12.822 1.926 0.684 0.407 0.923 0.692 CB 1.310 19 residues pruned to eliminate duplicates Z: 8 5.611 1.433 0.393 0.808 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 8 10.081 1.801 0.249 0.799 1.000 0.714 CA 1.304 8 residues pruned to eliminate duplicates Z: 30 17.397 1.864 0.337 0.559 0.966 0.690 CB 1.268 30 residues pruned to eliminate duplicates Z: 6 4.588 1.509 0.963 0.362 0.800 0.200 O 1.005 Z: 14 24.540 1.991 1.044 0.887 0.923 0.769 CB 1.306 14 residues pruned to eliminate duplicates Z: 11 5.846 1.386 0.538 0.402 0.900 0.600 CB 1.069 9 residues pruned to eliminate duplicates Z: 11 6.234 1.521 0.635 0.496 0.800 0.700 N 0.995 11 residues pruned to eliminate duplicates Z: 11 3.566 1.545 0.275 0.371 0.900 0.400 CB 0.731 Z: 10 7.626 1.642 0.818 0.470 0.778 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 9 6.398 1.383 0.509 0.605 0.875 0.625 N 1.120 Z: 9 2.056 1.411 0.345 0.265 0.750 0.500 CB 0.668 Z: 13 5.956 1.781 0.089 0.374 0.750 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 6 5.224 1.760 0.258 0.473 1.000 0.800 CB 1.084 Z: 11 6.787 1.765 0.376 0.861 0.900 0.900 CB 0.721 11 residues pruned to eliminate duplicates Z: 15 16.257 1.878 0.629 0.881 0.929 0.786 CB 1.108 15 residues pruned to eliminate duplicates Z: 8 3.355 1.347 0.462 0.185 0.857 0.571 CB 1.096 Z: 42 15.788 1.604 0.686 0.470 0.854 0.512 CB 1.100 43 residues pruned to eliminate duplicates 6 1.289 1.469 0.086 0.556 0.800 0.800 CB 0.428 ? Z: 8 4.404 1.664 0.604 0.321 0.714 0.571 CB 1.064 Z: 6 5.758 1.571 0.642 0.854 1.000 1.000 CB 0.737 6 residues pruned to eliminate duplicates Z: 7 9.786 1.821 0.247 0.684 1.000 0.500 CB 1.486 7 residues pruned to eliminate duplicates Z: 12 18.240 1.759 0.916 0.885 1.000 1.000 CB 1.179 12 residues pruned to eliminate duplicates Z: 6 4.734 1.452 0.114 0.829 1.000 0.800 CB 0.985 6 residues pruned to eliminate duplicates Z: 13 4.757 1.607 0.514 0.225 0.833 0.583 CB 0.935 13 residues pruned to eliminate duplicates Z: 8 8.120 1.736 0.528 0.819 1.000 0.571 CB 0.877 8 residues pruned to eliminate duplicates Z: 9 8.926 1.619 0.374 0.603 1.000 0.750 CB 1.286 9 residues pruned to eliminate duplicates Z: 8 7.767 1.402 0.597 0.863 1.000 0.714 CB 0.962 8 residues pruned to eliminate duplicates Z: 8 9.844 1.733 0.366 0.861 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 10 4.722 1.444 0.289 0.617 0.778 0.444 CB 0.973 Z: 15 14.365 1.734 0.871 0.679 0.857 0.500 CB 1.171 16 residues pruned to eliminate duplicates 8 1.897 1.775 0.221 0.342 0.429 0.429 CB 0.917 ? Z: 7 3.003 1.522 0.328 0.233 0.833 0.667 CB 0.992 Z: 6 3.899 1.573 0.769 0.642 0.800 0.600 CB 0.686 6 residues pruned to eliminate duplicates Z: 10 5.642 1.469 0.485 0.315 0.889 0.778 CB 1.190 Z: 9 3.806 1.474 0.401 0.351 0.750 0.625 CB 1.022 Z: 8 13.156 1.725 0.666 0.666 1.000 0.857 CB 1.484 9 residues pruned to eliminate duplicates Z: 6 5.269 1.326 0.716 0.765 1.000 0.600 CB 0.818 Z: 11 20.030 1.811 0.746 0.912 1.000 0.700 CB 1.419 12 residues pruned to eliminate duplicates Z: 9 12.777 1.767 0.661 0.718 0.875 0.750 CB 1.444 9 residues pruned to eliminate duplicates Z: 13 6.006 1.555 0.474 0.352 0.833 0.417 CB 1.066 13 residues pruned to eliminate duplicates Z: 9 8.277 1.646 0.685 0.667 0.875 0.625 CB 1.033 9 residues pruned to eliminate duplicates Z: 46 21.840 1.847 0.475 0.523 0.867 0.578 CB 1.347 39 residues pruned to eliminate duplicates Z: 7 3.230 1.457 0.540 0.243 0.667 0.500 CB 1.186 Z: 14 13.730 1.901 0.663 0.554 0.923 0.846 CA 1.238 14 residues pruned to eliminate duplicates Z: 8 9.329 1.725 0.295 0.595 1.000 0.714 N 1.441 Z: 7 6.218 1.467 0.179 0.672 1.000 0.667 CB 1.253 Z: 28 17.092 1.861 0.734 0.524 0.778 0.519 CB 1.280 28 residues pruned to eliminate duplicates 6 1.652 1.348 0.843 0.346 0.400 0.400 C 0.879 ? Z: 6 3.632 1.757 0.261 0.574 1.000 0.800 CB 0.683 4 residues pruned to eliminate duplicates Z: 7 6.158 1.815 0.493 0.319 0.833 0.500 CB 1.360 Z: 12 3.618 1.516 0.245 0.269 0.727 0.273 CB 1.033 12 residues pruned to eliminate duplicates Z: 6 3.114 1.441 0.585 0.570 0.800 0.800 CB 0.713 6 residues pruned to eliminate duplicates 6 1.385 1.055 0.012 0.438 0.800 0.600 CB 0.774 ? Z: 8 5.763 1.786 -0.019 0.442 0.857 0.714 CA 1.540 8 residues pruned to eliminate duplicates Z: 6 5.611 1.456 0.296 0.664 1.000 0.800 CB 1.143 Z: 6 3.308 1.416 0.840 0.308 0.600 0.400 O 1.172 Z: 12 7.659 1.602 0.204 0.472 0.909 0.364 CB 1.355 11 residues pruned to eliminate duplicates Z: 11 6.640 1.825 0.124 0.364 1.000 0.600 CB 1.185 11 residues pruned to eliminate duplicates Z: 8 2.700 1.417 0.419 0.320 0.714 0.429 CB 0.866 Z: 9 3.336 1.401 0.369 0.534 0.875 0.750 CB 0.679 Z: 9 5.965 1.587 0.023 0.814 1.000 0.625 CB 0.988 9 residues pruned to eliminate duplicates Z: 19 3.909 1.456 0.581 0.372 0.722 0.389 CB 0.636 Z: 21 19.999 1.779 0.829 0.629 0.900 0.750 CB 1.353 21 residues pruned to eliminate duplicates Z: 6 2.584 1.237 0.686 0.245 0.800 0.200 C 0.930 8 1.416 1.351 0.430 0.293 0.571 0.429 N 0.611 ? Z: 17 3.575 1.467 0.421 0.289 0.688 0.500 CB 0.790 Z: 11 4.906 1.553 0.396 0.327 0.900 0.600 CB 0.961 11 residues pruned to eliminate duplicates Z: 13 15.431 1.871 0.452 0.795 1.000 0.667 CB 1.266 19 residues pruned to eliminate duplicates Z: 9 3.829 1.411 0.459 0.270 0.750 0.500 CB 1.138 Z: 18 7.563 1.708 0.539 0.237 0.882 0.412 CB 1.072 18 residues pruned to eliminate duplicates Z: 6 5.067 1.540 0.833 0.484 0.800 0.600 CB 1.020 Z: 13 11.708 1.826 0.052 0.895 1.000 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 8 7.092 1.567 0.527 0.715 1.000 0.571 CB 0.922 6 residues pruned to eliminate duplicates Z: 7 3.730 1.533 0.344 0.296 0.833 0.500 CB 1.115 Z: 16 8.938 1.637 0.266 0.523 0.933 0.467 CB 1.167 16 residues pruned to eliminate duplicates Z: 13 19.114 1.695 0.949 0.888 1.000 1.000 CB 1.203 13 residues pruned to eliminate duplicates Z: 12 4.323 1.652 0.442 0.651 0.727 0.545 CB 0.654 12 residues pruned to eliminate duplicates Z: 15 15.136 1.848 0.835 0.564 0.929 0.714 CB 1.207 16 residues pruned to eliminate duplicates Z: 9 3.528 1.479 0.386 0.279 0.750 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 19 7.600 1.635 0.443 0.451 0.944 0.722 CB 0.846 19 residues pruned to eliminate duplicates Z: 14 11.076 1.803 0.602 0.578 0.923 0.846 CB 1.069 14 residues pruned to eliminate duplicates Z: 7 5.601 1.737 0.613 0.815 0.833 0.667 CB 0.745 7 residues pruned to eliminate duplicates Z: 15 11.922 1.724 0.218 0.807 1.000 0.643 CB 1.161 15 residues pruned to eliminate duplicates Z: 6 5.435 1.644 0.505 0.678 0.800 0.600 CB 1.042 Z: 10 10.544 1.732 0.156 0.832 1.000 0.778 CB 1.318 18 residues pruned to eliminate duplicates Z: 10 3.779 1.601 0.447 0.172 0.778 0.556 CB 1.040 Z: 6 3.376 1.244 0.645 0.606 0.800 0.400 O 0.834 6 1.018 1.008 0.515 0.299 0.800 0.400 O 0.467 ? 6 1.886 1.379 0.539 0.300 0.600 0.400 N 0.829 ? Z: 6 3.550 1.197 0.285 0.637 1.000 0.800 CB 0.908 7 1.574 1.318 0.458 0.189 0.833 0.333 CB 0.582 ? Z: 13 7.167 1.633 0.408 0.835 0.917 0.667 CB 0.735 13 residues pruned to eliminate duplicates Z: 8 4.340 1.421 0.600 0.404 0.857 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 12 5.992 1.639 0.387 0.321 0.818 0.455 CB 1.184 10 residues pruned to eliminate duplicates Z: 17 11.314 1.650 0.527 0.491 0.875 0.688 N 1.295 17 residues pruned to eliminate duplicates Z: 12 5.574 1.814 0.312 0.230 0.727 0.273 CB 1.329 12 residues pruned to eliminate duplicates Z: 7 4.279 1.444 0.486 0.682 1.000 0.667 CB 0.689 Z: 10 4.138 1.473 -0.003 0.475 1.000 0.556 CB 0.963 10 residues pruned to eliminate duplicates Z: 6 4.046 1.392 0.646 0.451 0.800 0.800 N 1.038 Z: 11 11.471 1.820 0.499 0.653 0.900 0.600 CB 1.281 11 residues pruned to eliminate duplicates Z: 10 3.865 1.599 0.240 0.376 0.667 0.444 CB 1.113 10 residues pruned to eliminate duplicates Z: 6 2.528 1.487 0.690 0.471 0.600 0.600 N 0.772 Z: 10 9.295 1.744 0.103 0.789 1.000 0.778 CB 1.249 10 residues pruned to eliminate duplicates Z: 8 7.954 1.615 0.532 0.784 0.714 0.571 N 1.325 8 residues pruned to eliminate duplicates 6 1.850 1.319 0.433 0.325 0.600 0.400 O 0.884 ? Z: 11 5.873 1.598 0.396 0.304 0.800 0.300 N 1.295 10 residues pruned to eliminate duplicates Z: 6 3.213 1.091 0.692 0.678 1.000 0.800 CB 0.661 Z: 8 6.050 1.778 0.156 0.344 1.000 0.714 CB 1.319 9 residues pruned to eliminate duplicates Z: 9 3.459 1.571 0.286 0.327 0.625 0.375 CB 1.172 9 residues pruned to eliminate duplicates 7 1.810 1.281 0.344 0.249 0.667 0.500 CB 0.860 ? Z: 7 6.594 1.856 0.377 0.384 0.833 0.500 O 1.431 7 residues pruned to eliminate duplicates Z: 10 5.360 1.499 0.648 0.437 0.667 0.556 CB 1.158 Z: 7 10.415 1.985 0.649 0.617 0.833 0.833 CA 1.395 6 residues pruned to eliminate duplicates Z: 6 3.171 1.441 0.983 0.842 0.800 0.800 CB 0.462 Z: 13 13.713 1.938 0.175 0.889 0.917 0.917 CB 1.365 13 residues pruned to eliminate duplicates Z: 7 4.025 1.715 0.160 0.398 0.667 0.500 N 1.380 7 residues pruned to eliminate duplicates Z: 6 3.276 1.290 0.730 0.617 0.800 0.400 CB 0.734 Z: 6 2.228 1.652 0.154 0.236 1.000 0.400 CB 0.710 Z: 27 22.814 1.950 0.527 0.635 1.000 0.885 CB 1.323 27 residues pruned to eliminate duplicates Z: 8 2.584 1.512 0.782 0.288 0.571 0.429 CB 0.805 10 residues pruned to eliminate duplicates Z: 20 8.112 1.573 0.398 0.480 0.895 0.474 CB 0.965 20 residues pruned to eliminate duplicates Z: 14 17.519 1.909 0.272 0.913 1.000 0.923 CB 1.415 14 residues pruned to eliminate duplicates Z: 12 8.241 1.694 0.635 0.434 0.909 0.455 CB 1.056 12 residues pruned to eliminate duplicates 8 1.881 1.356 -0.049 0.253 0.714 0.429 CB 1.025 ? Z: 17 19.368 1.972 0.371 0.803 0.938 0.750 CB 1.466 17 residues pruned to eliminate duplicates Z: 10 3.594 1.662 0.475 0.445 0.778 0.444 CB 0.665 8 residues pruned to eliminate duplicates Z: 7 7.639 1.518 0.599 0.668 1.000 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 9 6.407 1.733 0.337 0.458 0.750 0.625 O 1.360 Z: 14 14.650 1.627 0.863 0.814 0.923 0.846 CB 1.105 22 residues pruned to eliminate duplicates Z: 13 17.720 2.008 1.060 0.893 0.833 0.417 CB 1.066 13 residues pruned to eliminate duplicates Z: 11 5.585 1.492 0.505 0.518 0.900 0.400 CB 0.858 8 residues pruned to eliminate duplicates Z: 8 4.307 1.450 0.359 0.683 0.857 0.714 CB 0.815 8 residues pruned to eliminate duplicates Z: 10 12.437 1.695 0.825 0.612 1.000 0.778 CB 1.205 10 residues pruned to eliminate duplicates Z: 11 4.269 1.471 0.228 0.494 0.800 0.500 CB 0.939 Z: 21 17.865 1.957 0.645 0.564 0.950 0.600 CB 1.227 34 residues pruned to eliminate duplicates 6 1.201 1.337 0.336 0.435 1.000 0.800 CB 0.322 ? Z: 7 2.971 1.523 0.340 0.819 0.667 0.500 CB 0.676 7 residues pruned to eliminate duplicates Z: 10 7.548 1.607 0.884 0.407 0.667 0.444 N 1.374 10 residues pruned to eliminate duplicates Z: 12 14.649 1.746 0.483 0.907 1.000 0.909 CB 1.212 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 9.326 1.704 0.522 0.890 1.000 0.818 CB 0.780 12 residues pruned to eliminate duplicates Z: 15 8.628 1.671 0.513 0.634 0.929 0.714 CB 0.866 15 residues pruned to eliminate duplicates Z: 12 6.162 1.463 0.584 0.474 0.909 0.545 CB 0.905 12 residues pruned to eliminate duplicates Z: 13 10.857 1.700 0.632 0.766 0.917 0.750 CB 0.973 13 residues pruned to eliminate duplicates Z: 11 8.722 1.733 0.329 0.907 1.000 0.900 CB 0.851 11 residues pruned to eliminate duplicates Z: 12 8.527 1.760 0.362 0.814 0.909 0.727 CB 0.898 12 residues pruned to eliminate duplicates Z: 13 7.168 1.755 0.472 0.745 0.750 0.750 CB 0.858 13 residues pruned to eliminate duplicates Z: 12 7.549 1.728 0.455 0.805 0.909 0.636 CB 0.763 12 residues pruned to eliminate duplicates Z: 12 10.296 1.778 0.187 0.766 1.000 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 11 8.989 1.770 0.488 0.816 0.800 0.600 CB 1.025 11 residues pruned to eliminate duplicates Z: 12 7.339 1.729 0.151 0.876 0.909 0.727 CB 0.889 12 residues pruned to eliminate duplicates Z: 11 8.070 1.755 0.147 0.886 1.000 0.900 CB 0.915 11 residues pruned to eliminate duplicates Z: 18 10.529 1.586 0.536 0.755 0.882 0.706 CB 0.947 18 residues pruned to eliminate duplicates Z: 15 11.068 1.663 0.550 0.851 0.929 0.857 CB 0.915 15 residues pruned to eliminate duplicates Z: 13 9.559 1.704 0.383 0.730 0.917 0.833 CB 1.039 13 residues pruned to eliminate duplicates Z: 7 4.491 1.707 0.261 0.530 0.833 0.833 CB 0.992 7 residues pruned to eliminate duplicates Z: 13 9.679 1.701 0.448 0.692 0.917 0.833 CB 1.038 13 residues pruned to eliminate duplicates Z: 12 10.625 1.788 0.263 0.735 0.909 0.818 CB 1.263 12 residues pruned to eliminate duplicates Z: 13 11.336 1.727 0.426 0.671 0.917 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 13 11.307 1.708 0.468 0.660 0.917 0.667 CB 1.224 13 residues pruned to eliminate duplicates Z: 14 10.152 1.746 0.455 0.609 0.846 0.615 CB 1.182 14 residues pruned to eliminate duplicates Z: 14 11.803 1.663 0.987 0.650 0.923 0.615 CB 0.934 14 residues pruned to eliminate duplicates Z: 15 24.953 2.004 0.887 0.722 1.000 0.786 CB 1.444 15 residues pruned to eliminate duplicates Z: 6 7.924 1.721 0.478 0.695 1.000 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 16 20.236 1.963 0.973 0.659 1.000 0.733 CB 1.164 16 residues pruned to eliminate duplicates Z: 17 18.186 1.880 0.981 0.577 0.938 0.688 CB 1.209 17 residues pruned to eliminate duplicates Z: 17 19.272 1.842 1.096 0.575 0.938 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 15 25.096 1.991 1.021 0.707 1.000 0.857 CB 1.380 15 residues pruned to eliminate duplicates Z: 16 21.835 2.002 0.813 0.640 1.000 0.733 CB 1.363 16 residues pruned to eliminate duplicates Z: 15 20.945 2.000 0.855 0.687 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 17 13.288 1.825 1.120 0.541 0.812 0.625 CB 1.015 17 residues pruned to eliminate duplicates Z: 16 21.338 1.999 0.890 0.657 1.000 0.800 CB 1.261 16 residues pruned to eliminate duplicates Z: 15 15.659 1.912 0.754 0.605 0.857 0.714 CB 1.318 15 residues pruned to eliminate duplicates Z: 16 16.246 1.870 0.711 0.603 1.000 0.600 CB 1.188 15 residues pruned to eliminate duplicates Z: 17 25.146 1.987 0.735 0.783 1.000 0.750 CA 1.421 17 residues pruned to eliminate duplicates Z: 13 12.071 1.937 0.582 0.527 1.000 0.500 CB 1.107 13 residues pruned to eliminate duplicates Z: 26 24.635 2.017 0.574 0.565 1.000 0.680 CB 1.457 26 residues pruned to eliminate duplicates Z: 26 26.397 2.042 0.781 0.573 0.960 0.560 CB 1.409 26 residues pruned to eliminate duplicates Z: 34 18.505 1.935 0.658 0.453 0.848 0.394 CB 1.242 34 residues pruned to eliminate duplicates Z: 29 25.896 2.035 0.642 0.588 0.964 0.679 CB 1.395 29 residues pruned to eliminate duplicates Z: 30 23.249 2.035 0.722 0.518 0.966 0.586 CB 1.253 30 residues pruned to eliminate duplicates Z: 24 24.981 2.107 0.829 0.571 0.870 0.696 CB 1.451 24 residues pruned to eliminate duplicates Z: 30 26.794 2.044 0.751 0.536 0.966 0.552 CB 1.389 30 residues pruned to eliminate duplicates Z: 27 23.520 2.013 0.788 0.555 0.923 0.692 CB 1.316 27 residues pruned to eliminate duplicates Z: 28 24.741 2.019 0.830 0.559 0.963 0.667 CB 1.263 28 residues pruned to eliminate duplicates Z: 27 23.878 2.071 0.743 0.536 0.962 0.538 CB 1.302 27 residues pruned to eliminate duplicates Z: 26 21.659 2.031 0.599 0.542 0.920 0.480 CB 1.391 26 residues pruned to eliminate duplicates Z: 27 20.401 2.010 0.902 0.535 0.885 0.462 CB 1.143 27 residues pruned to eliminate duplicates Z: 28 21.230 2.055 0.680 0.547 0.926 0.444 CB 1.220 28 residues pruned to eliminate duplicates Z: 29 19.957 1.951 0.717 0.474 0.964 0.500 CB 1.199 29 residues pruned to eliminate duplicates Z: 30 18.971 1.945 0.599 0.468 0.966 0.483 CB 1.211 30 residues pruned to eliminate duplicates Z: 26 23.688 2.047 0.850 0.571 0.960 0.480 CB 1.217 26 residues pruned to eliminate duplicates Z: 30 21.195 2.018 0.812 0.488 0.897 0.414 CB 1.215 30 residues pruned to eliminate duplicates Z: 9 5.533 1.487 0.361 0.542 0.875 0.625 CB 1.060 9 residues pruned to eliminate duplicates Z: 8 4.968 1.492 0.120 0.659 0.857 0.714 CA 1.131 8 residues pruned to eliminate duplicates Z: 7 3.825 1.707 0.091 0.389 0.833 0.500 N 1.132 7 residues pruned to eliminate duplicates Z: 6 7.722 1.855 0.300 0.609 1.000 0.800 N 1.291 6 residues pruned to eliminate duplicates Z: 6 3.510 1.772 0.141 0.567 0.800 0.800 N 0.910 6 residues pruned to eliminate duplicates Z: 33 11.802 1.847 0.421 0.327 0.781 0.438 CB 1.230 36 residues pruned to eliminate duplicates Z: 22 12.606 1.869 0.422 0.468 0.857 0.667 CB 1.247 30 residues pruned to eliminate duplicates Z: 23 14.125 1.868 0.559 0.462 0.773 0.682 CB 1.392 23 residues pruned to eliminate duplicates Z: 13 4.796 1.588 0.494 0.380 0.667 0.417 CB 0.995 13 residues pruned to eliminate duplicates Z: 18 12.157 1.820 0.389 0.500 0.941 0.529 CB 1.239 18 residues pruned to eliminate duplicates Z: 13 11.381 2.006 0.426 0.441 0.917 0.417 CB 1.332 13 residues pruned to eliminate duplicates Z: 17 14.126 1.973 0.530 0.436 0.938 0.500 CB 1.332 17 residues pruned to eliminate duplicates Z: 24 12.443 1.872 0.424 0.384 0.826 0.391 CB 1.333 24 residues pruned to eliminate duplicates Z: 15 9.898 1.913 0.348 0.395 1.000 0.571 CB 1.146 15 residues pruned to eliminate duplicates Z: 11 11.429 2.031 0.217 0.533 0.900 0.800 CB 1.573 11 residues pruned to eliminate duplicates Z: 23 9.406 1.880 0.174 0.376 0.773 0.455 CB 1.343 29 residues pruned to eliminate duplicates Z: 13 10.168 1.924 0.286 0.416 0.833 0.667 CB 1.554 13 residues pruned to eliminate duplicates Z: 11 10.609 2.107 0.334 0.445 0.800 0.600 CB 1.579 11 residues pruned to eliminate duplicates Z: 13 12.942 1.977 0.362 0.515 0.917 0.500 CB 1.491 13 residues pruned to eliminate duplicates Z: 30 14.816 1.835 0.377 0.505 0.862 0.586 CB 1.258 41 residues pruned to eliminate duplicates Z: 19 14.617 1.793 0.622 0.468 0.889 0.556 CA 1.376 19 residues pruned to eliminate duplicates Z: 19 14.108 1.808 0.680 0.381 0.833 0.611 CB 1.492 19 residues pruned to eliminate duplicates Z: 28 21.619 1.903 0.550 0.510 0.963 0.593 CB 1.451 28 residues pruned to eliminate duplicates Z: 13 19.194 1.966 0.747 0.627 1.000 0.750 CA 1.432 13 residues pruned to eliminate duplicates Z: 16 10.995 1.857 0.473 0.476 0.800 0.533 CB 1.328 16 residues pruned to eliminate duplicates Z: 13 9.545 1.849 0.616 0.434 0.833 0.583 CA 1.184 13 residues pruned to eliminate duplicates Z: 13 13.157 1.837 0.786 0.442 1.000 0.583 CA 1.229 13 residues pruned to eliminate duplicates Z: 24 14.006 1.789 0.475 0.367 0.957 0.478 CB 1.335 24 residues pruned to eliminate duplicates Z: 11 16.738 1.960 0.810 0.540 1.000 0.900 CA 1.435 11 residues pruned to eliminate duplicates Z: 14 14.859 1.845 0.775 0.443 0.923 0.692 CA 1.445 14 residues pruned to eliminate duplicates Z: 14 15.867 1.880 0.722 0.480 0.923 0.615 CB 1.503 14 residues pruned to eliminate duplicates Z: 30 20.710 1.921 0.572 0.569 0.966 0.724 CB 1.235 30 residues pruned to eliminate duplicates Z: 44 21.090 1.850 0.598 0.520 0.907 0.628 CB 1.176 55 residues pruned to eliminate duplicates Z: 30 20.337 1.857 0.782 0.535 0.931 0.690 CB 1.184 30 residues pruned to eliminate duplicates Z: 32 20.116 1.828 0.684 0.524 0.871 0.613 CB 1.316 46 residues pruned to eliminate duplicates Z: 22 17.001 1.890 0.625 0.475 1.000 0.619 CB 1.239 22 residues pruned to eliminate duplicates Z: 22 16.310 1.889 0.510 0.546 0.952 0.619 CB 1.253 22 residues pruned to eliminate duplicates Z: 22 18.192 1.861 0.748 0.574 0.857 0.714 CB 1.326 22 residues pruned to eliminate duplicates Z: 24 20.415 1.904 0.673 0.558 0.957 0.696 CB 1.321 24 residues pruned to eliminate duplicates Z: 23 16.075 1.835 0.603 0.522 0.955 0.818 CB 1.195 23 residues pruned to eliminate duplicates Z: 32 22.807 1.878 0.691 0.561 0.935 0.710 CB 1.300 32 residues pruned to eliminate duplicates Z: 31 22.292 1.917 0.693 0.557 1.000 0.600 CB 1.187 31 residues pruned to eliminate duplicates Z: 34 18.071 1.816 0.617 0.493 0.970 0.636 CB 1.112 34 residues pruned to eliminate duplicates Z: 18 16.194 1.863 0.771 0.577 1.000 0.529 CB 1.105 18 residues pruned to eliminate duplicates Z: 26 22.761 1.942 0.712 0.650 0.960 0.880 CB 1.240 26 residues pruned to eliminate duplicates Z: 31 23.168 1.907 0.741 0.606 0.933 0.767 CB 1.235 31 residues pruned to eliminate duplicates Z: 43 21.613 1.843 0.709 0.486 0.929 0.429 CB 1.156 43 residues pruned to eliminate duplicates Z: 36 23.036 1.929 0.695 0.529 0.971 0.629 CB 1.192 36 residues pruned to eliminate duplicates Z: 35 22.803 1.902 0.640 0.588 0.971 0.647 CB 1.187 35 residues pruned to eliminate duplicates Z: 9 7.945 1.789 0.632 0.493 0.875 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 7 6.834 1.970 0.482 0.347 1.000 0.667 CB 1.128 7 residues pruned to eliminate duplicates Z: 12 5.707 1.780 0.397 0.276 0.818 0.455 CB 1.090 12 residues pruned to eliminate duplicates Z: 7 8.697 1.920 0.656 0.408 1.000 0.333 CB 1.230 7 residues pruned to eliminate duplicates Z: 35 21.955 1.916 0.620 0.566 0.941 0.647 CB 1.209 35 residues pruned to eliminate duplicates Z: 13 6.352 1.958 0.159 0.369 0.750 0.333 CB 1.239 13 residues pruned to eliminate duplicates Z: 14 9.662 2.011 0.327 0.417 0.846 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 46 20.946 1.877 0.516 0.562 0.867 0.533 CB 1.192 46 residues pruned to eliminate duplicates Z: 7 4.901 1.974 0.124 0.488 0.833 0.500 CB 1.095 7 residues pruned to eliminate duplicates Z: 15 10.901 1.879 0.669 0.520 0.714 0.429 CB 1.275 15 residues pruned to eliminate duplicates Z: 18 14.157 1.889 0.673 0.435 0.882 0.529 CB 1.317 17 residues pruned to eliminate duplicates Z: 9 13.410 1.764 0.771 0.664 1.000 0.750 CA 1.304 9 residues pruned to eliminate duplicates Z: 8 4.415 1.614 1.098 0.491 0.714 0.571 CB 0.697 8 residues pruned to eliminate duplicates Z: 11 18.104 1.815 1.088 0.623 0.900 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 8 8.491 1.994 1.041 0.503 0.714 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 18 10.525 1.867 0.560 0.552 0.882 0.529 CB 0.943 19 residues pruned to eliminate duplicates Z: 6 4.720 1.536 0.686 0.369 0.800 0.200 N 1.173 6 residues pruned to eliminate duplicates Z: 10 8.362 1.812 0.646 0.581 0.778 0.667 CB 1.111 10 residues pruned to eliminate duplicates Z: 7 4.209 1.549 0.736 0.355 0.833 0.167 CB 0.897 7 residues pruned to eliminate duplicates Z: 24 8.896 1.642 0.572 0.388 0.826 0.478 CB 0.980 24 residues pruned to eliminate duplicates Z: 15 10.056 1.615 0.494 0.354 1.000 0.571 CB 1.304 19 residues pruned to eliminate duplicates Z: 9 7.014 1.598 0.245 0.817 0.750 0.750 CA 1.262 9 residues pruned to eliminate duplicates Z: 13 10.525 1.682 0.379 0.641 0.917 0.583 CB 1.252 8 residues pruned to eliminate duplicates Z: 14 12.326 1.608 0.515 0.874 0.923 0.769 CB 1.107 14 residues pruned to eliminate duplicates Z: 8 7.671 1.852 0.057 0.771 0.857 0.857 CB 1.359 8 residues pruned to eliminate duplicates Z: 13 16.559 1.862 0.641 0.775 0.917 0.583 CB 1.339 13 residues pruned to eliminate duplicates Z: 12 13.170 1.755 0.985 0.586 0.818 0.364 CB 1.283 12 residues pruned to eliminate duplicates Z: 13 13.761 1.785 0.930 0.684 0.833 0.500 CB 1.169 13 residues pruned to eliminate duplicates Z: 11 15.803 1.860 0.752 0.829 0.900 0.600 CB 1.281 11 residues pruned to eliminate duplicates Z: 14 14.754 1.765 0.789 0.711 0.923 0.615 CB 1.159 14 residues pruned to eliminate duplicates Z: 14 16.456 1.846 0.823 0.756 0.923 0.692 CB 1.170 14 residues pruned to eliminate duplicates Z: 15 14.532 1.764 0.797 0.689 0.857 0.643 CB 1.202 15 residues pruned to eliminate duplicates Z: 15 14.911 1.785 0.805 0.749 0.929 0.643 CB 1.066 15 residues pruned to eliminate duplicates Z: 16 13.439 1.750 0.692 0.762 0.867 0.533 CB 1.071 16 residues pruned to eliminate duplicates Z: 13 10.634 1.737 0.367 0.651 0.833 0.583 N 1.347 13 residues pruned to eliminate duplicates Z: 15 19.233 1.727 0.803 0.856 1.000 0.500 CB 1.217 15 residues pruned to eliminate duplicates Z: 6 5.362 1.564 0.514 0.470 1.000 1.000 CB 1.044 6 residues pruned to eliminate duplicates Z: 9 6.452 1.694 0.552 0.485 0.875 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 9 6.671 1.835 0.595 0.559 0.875 0.500 CB 0.870 9 residues pruned to eliminate duplicates Z: 12 6.828 1.603 1.152 0.407 0.727 0.364 CB 0.905 9 residues pruned to eliminate duplicates Z: 6 5.201 1.550 1.157 0.204 1.000 0.800 CA 0.989 Z: 8 4.792 1.158 1.455 0.488 1.000 0.571 CA 0.645 5 residues pruned to eliminate duplicates Z: 6 4.123 1.595 1.132 0.317 0.800 0.400 CB 0.830 Z: 8 2.680 1.654 0.102 0.340 0.714 0.143 N 0.926 9 residues pruned to eliminate duplicates Z: 14 5.267 1.460 0.329 0.440 0.846 0.308 N 0.947 7 1.494 1.281 0.148 0.278 0.833 0.167 CB 0.640 ? Z: 6 3.990 1.624 0.843 0.129 0.800 0.200 CB 1.184 Z: 6 3.833 1.641 0.344 0.394 1.000 0.400 CB 0.869 Z: 8 8.297 1.790 0.595 0.698 1.000 0.857 CB 0.917 14 residues pruned to eliminate duplicates Z: 24 12.904 1.734 0.869 0.443 0.913 0.652 CB 0.964 45 residues pruned to eliminate duplicates Z: 8 6.973 1.706 0.497 0.891 1.000 1.000 CB 0.742 8 residues pruned to eliminate duplicates Z: 9 12.184 1.731 0.412 0.871 1.000 0.750 CB 1.286 11 residues pruned to eliminate duplicates Z: 11 11.230 1.589 0.577 0.872 1.000 0.800 CB 1.032 9 residues pruned to eliminate duplicates Z: 11 10.188 1.578 0.451 0.905 0.900 0.800 CB 1.112 11 residues pruned to eliminate duplicates Z: 10 11.295 1.603 0.539 0.750 1.000 0.778 CB 1.221 10 residues pruned to eliminate duplicates Z: 10 9.812 1.516 0.406 0.797 1.000 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 11 9.541 1.644 0.386 0.778 0.900 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 11.170 1.641 0.575 0.841 1.000 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 9 9.296 1.678 0.530 0.743 0.875 0.625 CB 1.177 9 residues pruned to eliminate duplicates Z: 11 6.550 1.555 0.371 0.600 0.900 0.600 CB 0.982 9 residues pruned to eliminate duplicates Z: 14 13.734 1.631 0.860 0.845 0.923 0.615 CB 1.011 14 residues pruned to eliminate duplicates Z: 10 9.644 1.638 1.048 0.758 0.889 0.556 CB 0.858 10 residues pruned to eliminate duplicates Z: 11 9.649 1.650 0.371 0.886 1.000 0.900 CB 0.973 11 residues pruned to eliminate duplicates Z: 7 4.641 1.642 0.384 0.587 0.833 0.667 CB 0.920 7 residues pruned to eliminate duplicates Z: 8 12.492 1.747 0.500 0.726 1.000 0.857 CB 1.470 8 residues pruned to eliminate duplicates Z: 9 10.489 1.684 0.787 0.775 0.875 0.625 CB 1.105 9 residues pruned to eliminate duplicates Z: 16 13.151 1.670 0.501 0.725 1.000 0.467 CB 1.106 16 residues pruned to eliminate duplicates Z: 12 12.265 1.776 0.448 0.791 0.818 0.545 CB 1.362 12 residues pruned to eliminate duplicates Z: 11 15.752 1.839 0.491 0.863 0.900 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 11 13.246 1.743 0.578 0.760 0.900 0.600 CA 1.342 11 residues pruned to eliminate duplicates Z: 21 13.498 1.737 0.785 0.583 0.800 0.600 CB 1.123 21 residues pruned to eliminate duplicates Z: 19 15.881 1.782 0.770 0.552 0.944 0.556 CB 1.194 19 residues pruned to eliminate duplicates Z: 11 12.826 1.675 1.011 0.756 0.800 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 16 5.128 1.432 0.446 0.380 0.800 0.533 CB 0.908 12 residues pruned to eliminate duplicates Z: 7 3.889 1.440 0.416 0.747 1.000 0.333 CB 0.625 7 residues pruned to eliminate duplicates Z: 11 5.150 1.457 0.550 0.363 0.800 0.200 CB 1.045 11 residues pruned to eliminate duplicates Z: 10 4.160 1.646 0.236 0.252 0.889 0.556 CB 1.019 Z: 8 7.498 1.613 0.587 0.540 0.857 0.429 CB 1.242 18 residues pruned to eliminate duplicates Z: 7 5.685 1.535 0.439 0.382 1.000 0.333 O 1.192 7 residues pruned to eliminate duplicates Z: 6 2.234 1.304 0.169 0.267 0.800 0.600 CA 1.068 Z: 6 2.984 1.286 1.051 0.433 0.800 0.600 CB 0.678 Z: 6 4.909 1.341 0.860 0.791 1.000 0.400 CB 0.682 7 residues pruned to eliminate duplicates Z: 6 5.754 1.399 0.895 0.786 1.000 0.400 CB 0.755 6 residues pruned to eliminate duplicates Z: 8 6.621 1.241 0.931 0.895 1.000 0.857 CB 0.749 8 residues pruned to eliminate duplicates Z: 7 2.348 1.866 0.136 0.340 1.000 0.500 CB 0.539 5 residues pruned to eliminate duplicates Z: 7 7.717 1.561 0.713 0.773 1.000 0.500 CB 0.926 7 residues pruned to eliminate duplicates Z: 8 2.862 1.886 0.159 0.228 0.857 0.429 CB 0.792 8 residues pruned to eliminate duplicates Z: 7 2.096 1.808 0.239 0.226 0.667 0.500 CB 0.789 7 residues pruned to eliminate duplicates Z: 8 2.425 1.628 0.069 0.496 0.857 0.286 CB 0.617 Z: 6 5.698 1.672 0.548 0.475 1.000 0.200 CB 1.009 Z: 12 3.936 1.483 0.257 0.229 0.909 0.273 CB 0.961 10 residues pruned to eliminate duplicates Z: 11 3.633 1.590 0.137 0.289 0.900 0.600 CB 0.895 14 residues pruned to eliminate duplicates Z: 8 3.224 1.599 0.305 0.338 0.714 0.571 CB 0.976 8 residues pruned to eliminate duplicates Z: 11 3.361 1.573 0.368 0.292 0.600 0.400 CB 1.039 11 residues pruned to eliminate duplicates Z: 8 2.818 1.560 0.414 0.153 0.714 0.429 CB 1.034 8 residues pruned to eliminate duplicates Z: 11 3.429 1.466 0.286 0.272 0.700 0.400 CB 1.065 11 residues pruned to eliminate duplicates Z: 16 6.577 1.531 0.546 0.434 0.800 0.533 CB 0.960 16 residues pruned to eliminate duplicates Z: 6 7.314 1.559 0.710 0.759 1.000 0.600 CB 0.974 6 residues pruned to eliminate duplicates Z: 6 8.445 1.558 0.619 0.758 1.000 0.800 CB 1.191 10 residues pruned to eliminate duplicates Z: 6 6.390 1.563 0.721 0.694 0.800 0.600 CB 1.112 6 residues pruned to eliminate duplicates Z: 9 4.944 1.494 0.594 0.541 0.750 0.375 CB 0.940 7 residues pruned to eliminate duplicates Z: 8 6.483 1.433 0.693 0.763 0.857 0.143 CB 0.933 8 residues pruned to eliminate duplicates Z: 7 8.537 1.488 0.838 0.805 1.000 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 8 8.567 1.924 0.534 0.438 0.857 0.571 CB 1.365 Z: 6 5.415 1.536 0.680 0.439 1.000 0.800 CB 1.000 Z: 6 2.739 1.749 0.673 0.388 0.800 0.200 CB 0.590 Z: 6 2.107 1.592 0.404 0.525 0.800 0.400 CB 0.514 Z: 13 9.903 1.794 0.398 0.580 0.833 0.333 CB 1.266 13 residues pruned to eliminate duplicates Z: 36 19.498 1.891 0.447 0.496 0.914 0.457 CB 1.322 36 residues pruned to eliminate duplicates Z: 22 14.891 1.906 0.526 0.433 0.905 0.667 CB 1.323 22 residues pruned to eliminate duplicates Z: 15 13.177 1.908 0.369 0.467 0.929 0.429 CB 1.502 15 residues pruned to eliminate duplicates Z: 49 16.965 1.812 0.321 0.424 0.812 0.625 CB 1.361 49 residues pruned to eliminate duplicates Z: 29 20.473 1.954 0.625 0.488 0.893 0.464 CB 1.382 29 residues pruned to eliminate duplicates Z: 28 17.207 1.874 0.572 0.443 0.889 0.519 CB 1.341 28 residues pruned to eliminate duplicates Z: 23 15.733 1.948 0.638 0.437 0.864 0.682 CB 1.298 23 residues pruned to eliminate duplicates Z: 20 16.349 2.018 0.393 0.420 1.000 0.526 CB 1.450 20 residues pruned to eliminate duplicates Z: 35 16.616 1.928 0.372 0.419 0.941 0.559 CB 1.246 35 residues pruned to eliminate duplicates Z: 29 16.360 1.949 0.422 0.464 0.893 0.643 CB 1.295 29 residues pruned to eliminate duplicates Z: 32 17.524 1.900 0.518 0.462 0.903 0.581 CB 1.255 38 residues pruned to eliminate duplicates Z: 20 14.500 1.986 0.578 0.447 0.895 0.684 CB 1.253 20 residues pruned to eliminate duplicates Z: 26 14.388 1.933 0.370 0.395 0.920 0.400 CB 1.320 26 residues pruned to eliminate duplicates Z: 24 14.086 1.852 0.518 0.388 0.913 0.565 CB 1.288 24 residues pruned to eliminate duplicates Z: 29 20.255 1.948 0.575 0.545 0.929 0.643 CB 1.286 29 residues pruned to eliminate duplicates Z: 43 21.878 1.957 0.591 0.446 0.905 0.571 CB 1.266 41 residues pruned to eliminate duplicates Z: 10 11.822 1.843 0.774 0.552 0.889 0.444 CB 1.289 10 residues pruned to eliminate duplicates Z: 29 17.893 1.957 0.486 0.436 0.893 0.429 CB 1.391 29 residues pruned to eliminate duplicates Z: 35 17.501 1.857 0.523 0.447 0.882 0.588 CB 1.270 35 residues pruned to eliminate duplicates Z: 43 22.882 1.924 0.732 0.426 0.905 0.690 CB 1.264 43 residues pruned to eliminate duplicates Z: 19 15.932 1.868 0.731 0.522 0.944 0.667 CB 1.203 19 residues pruned to eliminate duplicates Z: 17 18.256 1.891 0.949 0.539 1.000 0.625 CB 1.192 17 residues pruned to eliminate duplicates Z: 17 15.216 1.897 0.591 0.561 0.938 0.812 CB 1.268 17 residues pruned to eliminate duplicates Z: 43 23.404 1.889 0.714 0.465 0.952 0.667 CB 1.214 43 residues pruned to eliminate duplicates Z: 36 20.881 1.908 0.615 0.428 0.914 0.457 CB 1.350 36 residues pruned to eliminate duplicates Z: 37 21.237 1.905 0.690 0.477 0.917 0.611 CB 1.227 37 residues pruned to eliminate duplicates Z: 7 5.379 1.437 1.072 0.462 0.833 0.833 CA 0.919 7 residues pruned to eliminate duplicates Z: 33 16.951 1.942 0.670 0.428 0.812 0.500 CB 1.225 33 residues pruned to eliminate duplicates Z: 36 22.839 1.967 0.593 0.458 0.914 0.657 CB 1.406 36 residues pruned to eliminate duplicates Z: 34 22.083 1.946 0.692 0.459 0.909 0.667 CB 1.339 34 residues pruned to eliminate duplicates Z: 24 11.243 1.815 0.746 0.499 0.739 0.522 CB 1.002 24 residues pruned to eliminate duplicates Z: 19 16.750 1.840 0.930 0.499 0.889 0.667 CB 1.252 19 residues pruned to eliminate duplicates Z: 9 7.550 1.719 0.282 0.798 0.875 0.875 CB 1.066 9 residues pruned to eliminate duplicates Z: 8 10.154 1.845 0.301 0.792 1.000 0.571 CB 1.238 8 residues pruned to eliminate duplicates Z: 9 11.137 1.832 0.589 0.806 0.875 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 13 9.283 1.766 0.564 0.531 0.917 0.667 CB 1.027 8 residues pruned to eliminate duplicates Z: 9 11.048 1.764 0.519 0.823 1.000 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 15 8.731 1.780 0.371 0.572 0.929 0.500 CB 0.961 15 residues pruned to eliminate duplicates Z: 16 9.821 1.735 0.538 0.602 0.867 0.533 CB 0.995 15 residues pruned to eliminate duplicates Z: 9 10.780 1.763 0.377 0.799 1.000 0.750 CB 1.208 9 residues pruned to eliminate duplicates Z: 9 10.035 1.828 0.088 0.891 1.000 1.000 CB 1.283 9 residues pruned to eliminate duplicates Z: 13 6.340 1.686 0.460 0.628 0.833 0.417 CB 0.791 13 residues pruned to eliminate duplicates Z: 6 8.016 2.013 0.113 0.695 1.000 0.600 CB 1.339 Z: 11 11.384 1.776 0.336 0.712 0.900 0.600 CA 1.392 17 residues pruned to eliminate duplicates Z: 15 15.192 1.986 0.226 0.795 0.929 0.786 CB 1.386 15 residues pruned to eliminate duplicates Z: 16 15.688 1.972 0.552 0.716 0.867 0.800 CB 1.256 16 residues pruned to eliminate duplicates Z: 15 16.358 1.982 0.684 0.766 0.786 0.357 CB 1.316 15 residues pruned to eliminate duplicates Z: 24 12.675 1.853 0.563 0.574 0.739 0.522 CB 1.150 24 residues pruned to eliminate duplicates Z: 13 21.396 2.059 0.958 0.798 0.917 0.417 CB 1.287 13 residues pruned to eliminate duplicates Z: 15 15.862 1.990 0.794 0.698 0.857 0.643 CB 1.157 15 residues pruned to eliminate duplicates Z: 13 19.689 2.048 1.027 0.812 0.833 0.417 CB 1.253 13 residues pruned to eliminate duplicates Z: 18 10.631 1.901 0.738 0.544 0.706 0.294 CB 1.059 18 residues pruned to eliminate duplicates Z: 16 10.016 1.919 0.815 0.640 0.733 0.533 CB 0.888 16 residues pruned to eliminate duplicates Z: 14 18.554 2.020 0.894 0.780 0.923 0.769 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 10.897 1.595 0.495 0.861 1.000 0.818 CB 1.012 12 residues pruned to eliminate duplicates Z: 23 10.787 1.447 0.672 0.466 0.909 0.500 CB 1.083 18 residues pruned to eliminate duplicates Z: 7 4.980 1.451 0.270 0.733 0.833 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 17 7.414 1.592 0.522 0.427 0.750 0.438 CB 1.101 17 residues pruned to eliminate duplicates Z: 15 9.569 1.687 0.584 0.596 0.929 0.500 CB 0.941 15 residues pruned to eliminate duplicates Z: 14 11.045 1.729 0.549 0.634 1.000 0.692 CB 1.009 14 residues pruned to eliminate duplicates Z: 11 7.584 1.645 0.793 0.689 0.900 0.900 CB 0.760 Z: 13 12.920 1.704 0.658 0.875 1.000 1.000 CB 0.959 24 residues pruned to eliminate duplicates Z: 7 4.791 1.777 0.402 0.389 0.667 0.500 O 1.324 7 residues pruned to eliminate duplicates Z: 21 12.715 1.706 0.651 0.546 0.950 0.600 CB 1.015 21 residues pruned to eliminate duplicates Z: 15 10.977 1.704 0.830 0.579 0.929 0.643 CB 0.940 15 residues pruned to eliminate duplicates Z: 17 8.396 1.645 0.810 0.411 0.750 0.500 CB 1.031 17 residues pruned to eliminate duplicates Z: 15 12.456 1.724 0.889 0.618 0.929 0.571 CB 0.985 15 residues pruned to eliminate duplicates Z: 15 8.456 1.718 0.540 0.544 0.857 0.500 CB 0.954 15 residues pruned to eliminate duplicates Z: 28 8.764 1.518 0.485 0.378 0.852 0.444 CB 1.001 28 residues pruned to eliminate duplicates Z: 22 12.857 1.725 0.580 0.539 0.905 0.667 CB 1.095 22 residues pruned to eliminate duplicates Z: 9 4.672 1.643 0.410 0.472 0.875 0.625 CB 0.838 9 residues pruned to eliminate duplicates Z: 30 11.080 1.666 0.325 0.574 0.862 0.586 CB 1.007 30 residues pruned to eliminate duplicates Z: 18 7.699 1.641 0.629 0.307 0.765 0.588 CB 1.132 18 residues pruned to eliminate duplicates Z: 20 11.182 1.658 0.812 0.526 0.842 0.526 CB 0.988 20 residues pruned to eliminate duplicates Z: 20 12.843 1.716 0.552 0.571 0.947 0.684 CB 1.090 20 residues pruned to eliminate duplicates Z: 29 9.197 1.558 0.643 0.355 0.893 0.500 CB 0.889 29 residues pruned to eliminate duplicates Z: 17 6.717 1.596 0.461 0.375 0.875 0.375 CB 0.940 17 residues pruned to eliminate duplicates Z: 17 7.841 1.686 0.431 0.439 0.812 0.500 CB 1.065 20 residues pruned to eliminate duplicates Z: 7 6.384 1.726 0.132 0.638 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 11 5.801 1.732 0.180 0.477 0.800 0.400 CB 1.149 11 residues pruned to eliminate duplicates Z: 6 4.934 1.717 0.020 0.669 0.800 0.800 CB 1.347 6 residues pruned to eliminate duplicates Z: 11 6.446 1.668 0.515 0.556 0.900 0.600 CB 0.848 11 residues pruned to eliminate duplicates Z: 12 6.633 1.664 0.404 0.546 0.909 0.636 CB 0.900 12 residues pruned to eliminate duplicates Z: 8 4.464 1.658 0.469 0.574 1.000 0.714 CB 0.645 8 residues pruned to eliminate duplicates Z: 6 6.323 1.504 0.475 0.534 1.000 0.400 O 1.233 5 residues pruned to eliminate duplicates Z: 8 7.881 1.576 0.794 0.579 0.714 0.429 CA 1.368 8 residues pruned to eliminate duplicates Z: 24 18.303 1.775 0.544 0.584 0.913 0.522 CB 1.407 24 residues pruned to eliminate duplicates Z: 26 14.006 1.747 0.400 0.496 0.880 0.720 CB 1.306 27 residues pruned to eliminate duplicates Z: 9 11.429 1.652 0.572 0.775 0.875 0.500 O 1.394 9 residues pruned to eliminate duplicates Z: 15 8.995 1.693 0.530 0.453 0.857 0.571 CB 1.137 15 residues pruned to eliminate duplicates Z: 23 13.998 1.750 0.377 0.550 0.864 0.591 CB 1.366 23 residues pruned to eliminate duplicates Z: 24 9.475 1.622 0.305 0.381 0.826 0.391 CB 1.283 24 residues pruned to eliminate duplicates Z: 22 14.026 1.731 0.594 0.501 0.905 0.476 CB 1.225 22 residues pruned to eliminate duplicates Z: 23 9.549 1.678 0.201 0.453 0.909 0.500 CB 1.167 23 residues pruned to eliminate duplicates Z: 34 17.701 1.766 0.495 0.533 0.909 0.485 CB 1.243 34 residues pruned to eliminate duplicates Z: 29 16.655 1.821 0.467 0.512 0.857 0.464 CB 1.359 29 residues pruned to eliminate duplicates Z: 31 16.438 1.765 0.609 0.497 0.833 0.367 CB 1.271 31 residues pruned to eliminate duplicates Z: 30 15.313 1.766 0.568 0.474 0.793 0.586 CB 1.329 30 residues pruned to eliminate duplicates Z: 28 19.474 1.776 0.552 0.485 0.926 0.481 CB 1.491 28 residues pruned to eliminate duplicates Z: 41 19.810 1.711 0.497 0.599 0.925 0.500 CB 1.203 41 residues pruned to eliminate duplicates Z: 27 11.373 1.746 0.416 0.497 0.769 0.500 CB 1.176 27 residues pruned to eliminate duplicates Z: 25 15.110 1.753 0.609 0.520 0.792 0.500 CB 1.354 25 residues pruned to eliminate duplicates Z: 13 10.740 1.779 0.355 0.509 0.917 0.417 CB 1.391 13 residues pruned to eliminate duplicates Z: 21 14.651 1.887 0.307 0.622 0.850 0.500 CB 1.393 21 residues pruned to eliminate duplicates Z: 20 16.812 1.867 0.350 0.673 0.895 0.526 CB 1.458 20 residues pruned to eliminate duplicates Z: 34 24.491 1.848 0.484 0.660 0.939 0.636 CB 1.427 34 residues pruned to eliminate duplicates Z: 26 15.536 1.888 0.334 0.605 0.800 0.560 CB 1.395 26 residues pruned to eliminate duplicates Z: 33 24.211 1.877 0.413 0.655 0.969 0.719 CB 1.442 33 residues pruned to eliminate duplicates Z: 29 19.091 1.952 0.506 0.598 0.929 0.607 CB 1.204 27 residues pruned to eliminate duplicates Z: 19 19.199 1.989 0.339 0.688 0.944 0.833 CB 1.513 19 residues pruned to eliminate duplicates Z: 46 26.234 1.865 0.577 0.559 0.933 0.622 CB 1.345 47 residues pruned to eliminate duplicates Z: 17 21.532 2.014 0.298 0.820 1.000 0.812 CB 1.560 17 residues pruned to eliminate duplicates Z: 33 23.600 1.936 0.535 0.574 0.969 0.688 CB 1.349 33 residues pruned to eliminate duplicates Z: 23 17.164 1.917 0.610 0.529 0.773 0.409 CB 1.491 23 residues pruned to eliminate duplicates Z: 18 10.696 1.895 0.557 0.451 0.765 0.412 CB 1.209 18 residues pruned to eliminate duplicates Z: 32 20.131 1.910 0.746 0.531 0.839 0.581 CB 1.255 32 residues pruned to eliminate duplicates Z: 57 25.364 1.841 0.571 0.515 0.911 0.643 CB 1.268 56 residues pruned to eliminate duplicates Z: 6 4.733 1.509 0.712 0.485 1.000 1.000 CA 0.832 Z: 11 7.001 1.532 0.278 0.766 0.800 0.400 CB 1.116 Z: 11 8.777 1.531 0.395 0.770 1.000 0.600 CB 1.023 19 residues pruned to eliminate duplicates Z: 6 3.948 1.413 0.624 0.656 1.000 0.800 CA 0.666 6 residues pruned to eliminate duplicates Z: 15 8.209 1.716 0.334 0.362 0.857 0.429 CB 1.297 Z: 8 5.905 1.644 0.432 0.645 1.000 0.429 CB 0.828 9 residues pruned to eliminate duplicates Z: 8 6.584 1.721 0.106 0.808 0.857 0.714 CB 1.166 8 residues pruned to eliminate duplicates Z: 13 9.786 1.745 0.317 0.485 1.000 0.500 CB 1.248 24 residues pruned to eliminate duplicates Z: 7 2.618 1.427 0.574 0.334 0.833 0.833 CA 0.685 7 residues pruned to eliminate duplicates Z: 20 6.903 1.520 0.307 0.452 0.842 0.526 CB 0.994 23 residues pruned to eliminate duplicates Z: 6 2.975 1.135 0.444 0.658 1.000 0.800 CA 0.701 5 residues pruned to eliminate duplicates Z: 6 2.904 1.469 0.842 0.418 1.000 0.600 CB 0.523 Z: 10 7.457 1.371 0.591 0.652 0.889 0.444 O 1.113 16 residues pruned to eliminate duplicates Z: 6 7.742 1.470 0.507 0.798 1.000 0.400 CB 1.204 6 residues pruned to eliminate duplicates Z: 21 13.851 1.674 0.601 0.631 0.900 0.500 CB 1.135 22 residues pruned to eliminate duplicates Z: 6 8.819 1.626 0.438 0.746 1.000 0.400 O 1.354 6 residues pruned to eliminate duplicates Z: 10 5.236 1.671 0.599 0.311 0.778 0.111 CB 1.035 10 residues pruned to eliminate duplicates Z: 13 6.565 1.729 0.291 0.220 0.833 0.417 N 1.415 9 residues pruned to eliminate duplicates 6 1.587 1.295 0.575 0.265 0.800 0.200 O 0.568 ? Z: 17 12.524 1.801 0.356 0.771 1.000 0.812 CB 1.009 17 residues pruned to eliminate duplicates Z: 32 18.283 1.841 0.565 0.490 0.935 0.516 CB 1.230 43 residues pruned to eliminate duplicates Z: 16 13.503 1.922 0.128 0.879 0.933 0.867 CB 1.250 16 residues pruned to eliminate duplicates Z: 20 16.826 1.844 0.334 0.686 1.000 0.632 CB 1.323 20 residues pruned to eliminate duplicates Z: 20 15.272 1.827 0.422 0.665 0.895 0.632 CB 1.294 20 residues pruned to eliminate duplicates Z: 40 20.833 1.866 0.360 0.546 0.974 0.590 CB 1.290 47 residues pruned to eliminate duplicates Z: 14 15.579 2.015 0.332 0.919 0.923 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 31 13.621 1.804 0.427 0.506 0.833 0.633 CB 1.153 31 residues pruned to eliminate duplicates Z: 24 17.791 1.861 0.548 0.682 0.913 0.652 CB 1.193 24 residues pruned to eliminate duplicates Z: 17 14.240 1.900 0.401 0.799 0.938 0.625 CB 1.098 17 residues pruned to eliminate duplicates Z: 26 11.953 1.854 0.470 0.573 0.760 0.640 CB 1.075 26 residues pruned to eliminate duplicates Z: 33 17.477 1.780 0.496 0.552 0.844 0.562 CB 1.308 33 residues pruned to eliminate duplicates Z: 25 13.793 1.861 0.554 0.586 0.792 0.542 CB 1.133 25 residues pruned to eliminate duplicates Z: 40 20.733 1.833 0.412 0.511 0.974 0.615 CB 1.302 40 residues pruned to eliminate duplicates Z: 17 12.777 1.882 0.298 0.781 0.938 0.750 CB 1.089 17 residues pruned to eliminate duplicates Z: 25 16.704 1.899 0.464 0.601 0.958 0.583 CB 1.162 25 residues pruned to eliminate duplicates Z: 36 16.762 1.860 0.327 0.542 0.943 0.657 CB 1.169 36 residues pruned to eliminate duplicates Z: 26 14.397 1.832 0.419 0.600 0.880 0.560 CB 1.144 26 residues pruned to eliminate duplicates Z: 27 15.186 1.888 0.405 0.588 0.808 0.577 CB 1.277 27 residues pruned to eliminate duplicates Z: 25 17.937 1.893 0.497 0.662 0.917 0.667 CB 1.213 25 residues pruned to eliminate duplicates Z: 9 6.071 1.754 0.528 0.430 0.750 0.500 CB 1.148 9 residues pruned to eliminate duplicates Z: 7 7.304 1.700 0.661 0.541 0.833 0.500 CB 1.217 7 residues pruned to eliminate duplicates Z: 9 10.096 1.889 0.854 0.528 0.750 0.500 CB 1.323 9 residues pruned to eliminate duplicates Z: 20 12.404 1.845 0.624 0.463 0.842 0.526 CB 1.171 18 residues pruned to eliminate duplicates Z: 8 5.934 1.537 0.724 0.470 0.714 0.571 CA 1.222 Z: 6 7.273 1.735 0.675 0.680 0.800 0.600 CA 1.185 Z: 6 5.684 1.661 0.870 0.470 0.800 0.600 CA 1.054 Z: 7 10.125 1.892 0.659 0.576 0.833 0.667 CA 1.470 7 residues pruned to eliminate duplicates Z: 18 12.590 1.882 0.717 0.522 0.941 0.706 CB 0.983 19 residues pruned to eliminate duplicates Z: 6 4.270 1.431 0.901 0.320 0.800 0.400 CA 1.070 6 residues pruned to eliminate duplicates Z: 17 9.684 1.810 0.726 0.367 0.750 0.438 CB 1.192 17 residues pruned to eliminate duplicates Z: 20 10.138 1.839 0.725 0.412 0.789 0.579 CB 1.018 20 residues pruned to eliminate duplicates Z: 12 9.544 1.636 0.906 0.421 0.909 0.727 CB 1.102 7 residues pruned to eliminate duplicates Z: 10 7.965 1.683 0.613 0.826 0.778 0.556 CB 0.948 10 residues pruned to eliminate duplicates Z: 12 9.853 1.675 0.566 0.618 0.909 0.636 CB 1.114 11 residues pruned to eliminate duplicates Z: 12 18.811 1.762 0.829 0.900 1.000 0.909 CB 1.256 12 residues pruned to eliminate duplicates Z: 17 15.138 1.679 0.625 0.718 1.000 0.750 CB 1.138 17 residues pruned to eliminate duplicates Z: 26 15.450 1.679 0.518 0.558 0.960 0.520 CB 1.194 26 residues pruned to eliminate duplicates Z: 16 14.152 1.696 0.646 0.691 1.000 0.733 CB 1.099 16 residues pruned to eliminate duplicates Z: 17 12.089 1.670 0.661 0.691 0.875 0.562 CB 1.045 17 residues pruned to eliminate duplicates Z: 15 13.028 1.667 0.741 0.724 0.929 0.571 CB 1.056 15 residues pruned to eliminate duplicates Z: 16 15.971 1.663 0.849 0.692 0.933 0.600 CB 1.206 16 residues pruned to eliminate duplicates Z: 8 6.839 1.408 0.854 0.756 0.714 0.286 CB 1.104 8 residues pruned to eliminate duplicates Z: 14 10.986 1.640 0.784 0.750 0.923 0.462 CB 0.902 14 residues pruned to eliminate duplicates Z: 22 8.767 1.617 0.291 0.469 0.810 0.381 CB 1.168 22 residues pruned to eliminate duplicates Z: 23 11.114 1.687 0.630 0.525 0.909 0.636 CB 0.925 23 residues pruned to eliminate duplicates Z: 27 10.861 1.638 0.525 0.490 0.846 0.308 CB 1.018 27 residues pruned to eliminate duplicates Z: 13 7.169 1.580 0.499 0.348 0.833 0.333 CB 1.236 13 residues pruned to eliminate duplicates Z: 13 5.431 1.597 0.147 0.331 0.833 0.500 CB 1.235 13 residues pruned to eliminate duplicates Z: 12 5.732 1.663 0.152 0.360 0.909 0.455 CB 1.154 12 residues pruned to eliminate duplicates Z: 20 6.287 1.617 0.218 0.370 0.789 0.368 CB 1.066 20 residues pruned to eliminate duplicates Z: 10 5.862 1.728 0.019 0.373 1.000 0.444 CB 1.272 10 residues pruned to eliminate duplicates Z: 14 5.425 1.664 0.206 0.299 0.846 0.385 CB 1.108 14 residues pruned to eliminate duplicates Z: 15 6.275 1.631 0.208 0.267 0.929 0.286 CB 1.196 15 residues pruned to eliminate duplicates Z: 6 5.254 1.726 0.141 0.539 0.800 0.600 N 1.435 6 residues pruned to eliminate duplicates Z: 7 6.697 1.623 0.623 0.477 1.000 0.333 CB 1.063 8 residues pruned to eliminate duplicates Z: 6 3.642 1.414 0.721 0.454 1.000 0.800 CB 0.701 6 residues pruned to eliminate duplicates Z: 12 7.959 1.537 0.851 0.521 0.818 0.727 CB 1.009 12 residues pruned to eliminate duplicates Z: 28 13.484 1.754 0.786 0.355 0.778 0.519 CB 1.245 28 residues pruned to eliminate duplicates Z: 12 6.510 1.607 0.903 0.599 0.818 0.727 CB 0.714 12 residues pruned to eliminate duplicates Z: 9 5.226 1.712 0.375 0.353 0.750 0.375 CB 1.227 9 residues pruned to eliminate duplicates Z: 8 6.416 1.779 0.435 0.453 0.714 0.714 CB 1.395 6 residues pruned to eliminate duplicates Z: 6 3.306 1.298 0.561 0.374 1.000 0.600 CA 0.835 6 residues pruned to eliminate duplicates Z: 13 6.952 1.648 0.512 0.265 0.833 0.250 CB 1.263 12 residues pruned to eliminate duplicates Z: 6 3.099 1.128 0.443 0.463 1.000 1.000 C 0.885 Z: 6 2.596 0.948 0.886 0.490 1.000 0.600 CA 0.656 Z: 6 4.961 1.277 0.983 0.436 1.000 0.600 CB 0.936 Z: 14 15.106 1.730 0.325 0.846 1.000 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 13 13.535 1.751 0.301 0.887 1.000 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 16 10.372 1.686 0.139 0.747 0.933 0.867 CA 1.198 15 residues pruned to eliminate duplicates Z: 12 13.886 1.841 0.209 0.924 1.000 0.909 CB 1.321 12 residues pruned to eliminate duplicates Z: 22 17.774 1.756 0.584 0.616 1.000 0.667 CB 1.249 26 residues pruned to eliminate duplicates Z: 14 16.252 1.726 0.514 0.898 1.000 0.846 CB 1.234 13 residues pruned to eliminate duplicates Z: 13 17.073 1.794 0.608 0.881 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 21 9.959 1.675 0.340 0.502 0.900 0.650 CB 1.100 13 residues pruned to eliminate duplicates Z: 14 18.685 1.767 0.793 0.851 1.000 0.692 CB 1.211 14 residues pruned to eliminate duplicates Z: 15 14.357 1.780 0.672 0.748 0.929 0.571 CB 1.113 15 residues pruned to eliminate duplicates Z: 23 13.537 1.739 0.763 0.552 0.909 0.636 CB 0.985 23 residues pruned to eliminate duplicates Z: 23 14.098 1.725 0.693 0.537 0.909 0.545 CB 1.092 23 residues pruned to eliminate duplicates Z: 22 15.878 1.751 0.790 0.611 0.905 0.619 CB 1.099 22 residues pruned to eliminate duplicates Z: 12 7.254 1.558 0.854 0.361 0.909 0.455 CB 0.967 12 residues pruned to eliminate duplicates Z: 12 5.066 1.587 0.461 0.298 0.818 0.182 CB 1.008 12 residues pruned to eliminate duplicates Z: 9 4.957 1.701 0.546 0.248 0.750 0.250 CB 1.188 9 residues pruned to eliminate duplicates Z: 22 13.933 1.710 0.723 0.604 0.857 0.619 CB 1.090 22 residues pruned to eliminate duplicates Z: 17 5.680 1.514 0.291 0.211 0.875 0.438 CB 1.167 17 residues pruned to eliminate duplicates Z: 12 4.804 1.649 0.503 0.234 0.909 0.455 CB 0.876 6 residues pruned to eliminate duplicates Z: 11 15.345 1.882 0.681 0.786 1.000 0.500 CB 1.192 10 residues pruned to eliminate duplicates Z: 12 13.016 1.865 0.814 0.804 0.909 0.455 CB 0.978 12 residues pruned to eliminate duplicates Z: 9 10.306 1.889 0.402 0.651 0.750 0.750 N 1.594 9 residues pruned to eliminate duplicates Z: 13 10.206 1.852 0.241 0.662 0.833 0.667 CB 1.323 12 residues pruned to eliminate duplicates Z: 15 15.344 1.981 0.388 0.770 0.929 0.786 CB 1.265 15 residues pruned to eliminate duplicates Z: 11 13.941 1.994 0.551 0.700 1.000 0.800 CB 1.188 11 residues pruned to eliminate duplicates Z: 16 14.909 1.826 0.495 0.669 0.933 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 17 14.194 1.866 0.399 0.760 0.938 0.500 CB 1.151 17 residues pruned to eliminate duplicates Z: 10 14.239 1.964 0.455 0.771 0.889 0.889 CB 1.470 10 residues pruned to eliminate duplicates Z: 12 16.209 1.955 0.516 0.768 1.000 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 18 15.924 1.923 0.601 0.737 0.941 0.824 CB 1.078 18 residues pruned to eliminate duplicates Z: 18 12.235 1.863 0.301 0.754 0.941 0.765 CB 1.038 18 residues pruned to eliminate duplicates Z: 15 16.221 1.938 0.330 0.843 1.000 0.786 CB 1.252 15 residues pruned to eliminate duplicates Z: 17 19.082 1.958 0.520 0.764 0.938 0.812 CB 1.352 19 residues pruned to eliminate duplicates Z: 16 12.607 1.848 0.150 0.803 1.000 0.800 CB 1.175 16 residues pruned to eliminate duplicates Z: 21 12.864 1.817 0.477 0.605 0.950 0.550 CB 1.022 21 residues pruned to eliminate duplicates Z: 23 14.805 1.882 0.582 0.592 0.864 0.636 CB 1.125 24 residues pruned to eliminate duplicates Z: 19 13.385 1.897 0.352 0.650 0.889 0.444 CB 1.203 19 residues pruned to eliminate duplicates Z: 17 4.898 1.765 0.258 0.345 0.812 0.438 CB 0.804 17 residues pruned to eliminate duplicates Z: 32 16.080 1.771 0.485 0.581 0.935 0.581 CB 1.086 27 residues pruned to eliminate duplicates Z: 7 5.041 1.291 0.845 0.562 1.000 1.000 CB 0.813 Z: 15 14.611 1.865 0.545 0.889 0.929 0.786 CB 1.051 15 residues pruned to eliminate duplicates Z: 14 20.884 1.960 0.632 0.885 1.000 0.846 CB 1.308 15 residues pruned to eliminate duplicates Z: 14 17.794 1.927 0.529 0.888 1.000 0.923 CB 1.207 14 residues pruned to eliminate duplicates Z: 15 14.566 1.886 0.507 0.821 0.929 0.857 CB 1.117 15 residues pruned to eliminate duplicates Z: 16 12.987 1.753 0.588 0.661 0.867 0.600 CB 1.197 16 residues pruned to eliminate duplicates Z: 14 17.437 1.782 0.509 0.808 1.000 0.846 CB 1.376 14 residues pruned to eliminate duplicates Z: 16 13.862 1.837 0.558 0.759 0.867 0.800 CB 1.146 16 residues pruned to eliminate duplicates Z: 14 12.603 1.911 0.284 0.748 0.923 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 17 12.860 1.834 0.317 0.704 1.000 0.875 CB 1.106 17 residues pruned to eliminate duplicates Z: 17 11.833 1.869 0.264 0.689 0.938 0.750 CB 1.124 17 residues pruned to eliminate duplicates Z: 14 19.514 1.965 0.632 0.856 1.000 0.846 CB 1.244 14 residues pruned to eliminate duplicates Z: 13 16.505 1.973 0.336 0.840 1.000 0.833 CB 1.350 13 residues pruned to eliminate duplicates Z: 14 16.529 1.938 0.444 0.826 1.000 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 16 12.793 1.845 0.386 0.787 0.933 0.733 CB 1.075 15 residues pruned to eliminate duplicates Z: 8 5.511 1.648 0.610 0.529 0.857 0.429 CB 0.890 Z: 9 3.637 1.712 0.367 0.501 0.750 0.250 CB 0.732 Z: 8 3.149 1.664 0.589 0.541 0.571 0.143 CB 0.757 8 residues pruned to eliminate duplicates Z: 8 4.991 1.486 0.429 0.711 0.857 0.286 CB 0.856 19 residues pruned to eliminate duplicates Z: 7 8.177 1.693 0.677 0.572 0.833 0.500 CB 1.316 6 residues pruned to eliminate duplicates Z: 9 8.816 1.759 0.541 0.418 1.000 0.250 CB 1.253 9 residues pruned to eliminate duplicates Z: 24 8.138 1.736 0.176 0.293 0.913 0.348 CB 1.148 33 residues pruned to eliminate duplicates Z: 8 5.373 1.718 0.382 0.314 0.714 0.143 CB 1.472 8 residues pruned to eliminate duplicates Z: 10 7.210 1.783 0.121 0.555 0.778 0.222 N 1.465 10 residues pruned to eliminate duplicates Z: 19 6.803 1.667 0.212 0.341 0.833 0.500 CB 1.133 19 residues pruned to eliminate duplicates Z: 9 7.042 1.593 0.350 0.562 0.875 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 18 10.232 1.710 0.559 0.403 0.941 0.412 CB 1.096 18 residues pruned to eliminate duplicates Z: 23 12.999 1.765 0.543 0.453 0.955 0.500 CB 1.119 24 residues pruned to eliminate duplicates Z: 12 9.297 1.359 0.560 0.668 1.000 0.727 CB 1.132 12 residues pruned to eliminate duplicates Z: 15 11.722 1.702 0.629 0.402 0.929 0.286 CB 1.348 12 residues pruned to eliminate duplicates Z: 6 2.430 1.169 0.521 0.339 0.800 0.200 CA 0.910 6 residues pruned to eliminate duplicates Z: 14 8.788 1.678 0.670 0.415 0.846 0.538 CB 1.123 14 residues pruned to eliminate duplicates Z: 30 15.073 1.843 0.622 0.648 0.793 0.552 CB 1.028 30 residues pruned to eliminate duplicates Z: 29 14.983 1.789 0.569 0.581 0.893 0.500 CB 1.045 29 residues pruned to eliminate duplicates Z: 13 9.520 1.841 0.504 0.437 0.917 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 12 10.515 1.863 0.566 0.562 1.000 0.636 CB 1.024 15 residues pruned to eliminate duplicates Z: 13 15.672 1.829 0.832 0.669 0.917 0.333 CB 1.261 13 residues pruned to eliminate duplicates Z: 23 14.502 1.883 0.516 0.637 0.773 0.409 CB 1.233 23 residues pruned to eliminate duplicates Z: 42 17.994 1.796 0.428 0.505 0.902 0.610 CB 1.208 45 residues pruned to eliminate duplicates Z: 18 17.685 1.685 0.856 0.830 0.882 0.588 CB 1.168 18 residues pruned to eliminate duplicates Z: 31 24.038 1.841 0.610 0.647 0.933 0.533 CB 1.383 40 residues pruned to eliminate duplicates Z: 12 16.801 1.824 0.553 0.819 0.909 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 30 12.560 1.727 0.504 0.487 0.724 0.345 CB 1.257 29 residues pruned to eliminate duplicates Z: 17 20.421 1.761 0.813 0.763 0.938 0.562 CB 1.351 17 residues pruned to eliminate duplicates Z: 32 17.474 1.782 0.878 0.533 0.742 0.355 CB 1.223 32 residues pruned to eliminate duplicates Z: 24 22.372 1.899 0.738 0.619 0.913 0.391 CB 1.383 24 residues pruned to eliminate duplicates Z: 26 15.810 1.755 0.430 0.593 0.920 0.640 CB 1.253 26 residues pruned to eliminate duplicates Z: 12 20.716 1.895 0.642 0.714 1.000 0.545 CB 1.654 12 residues pruned to eliminate duplicates Z: 38 14.806 1.729 0.329 0.522 0.865 0.459 CB 1.199 38 residues pruned to eliminate duplicates Z: 16 20.371 1.869 0.572 0.823 0.933 0.800 CB 1.450 16 residues pruned to eliminate duplicates Z: 18 18.369 1.801 0.479 0.706 0.882 0.706 CB 1.572 15 residues pruned to eliminate duplicates Z: 17 23.198 1.756 0.632 0.846 1.000 0.750 CB 1.504 17 residues pruned to eliminate duplicates Z: 7 3.965 1.534 0.169 0.383 0.833 0.833 CB 1.226 5 residues pruned to eliminate duplicates Z: 6 5.242 1.447 0.380 0.473 1.000 1.000 N 1.208 6 residues pruned to eliminate duplicates Z: 6 5.608 1.543 0.577 0.424 1.000 0.600 CB 1.116 6 residues pruned to eliminate duplicates Z: 7 3.433 1.519 0.238 0.245 1.000 0.667 CB 1.000 9 residues pruned to eliminate duplicates Z: 6 2.279 1.669 0.313 0.329 0.600 0.200 CB 0.936 Z: 6 7.079 1.637 0.954 0.279 1.000 0.600 CA 1.270 6 residues pruned to eliminate duplicates Z: 21 11.650 1.790 0.578 0.363 0.800 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 16 10.920 1.841 0.547 0.478 0.800 0.600 CB 1.265 26 residues pruned to eliminate duplicates Z: 18 13.343 1.841 0.812 0.505 0.824 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 14 15.575 1.941 0.734 0.574 1.000 0.692 CB 1.194 14 residues pruned to eliminate duplicates Z: 34 19.448 1.948 0.416 0.551 0.879 0.636 CB 1.330 34 residues pruned to eliminate duplicates Z: 18 13.414 1.848 0.478 0.463 0.882 0.412 CB 1.402 18 residues pruned to eliminate duplicates Z: 27 21.306 1.961 0.391 0.609 0.962 0.692 CB 1.436 27 residues pruned to eliminate duplicates Z: 38 26.274 1.924 0.642 0.596 0.892 0.703 CB 1.398 38 residues pruned to eliminate duplicates Z: 23 21.054 1.946 0.543 0.598 1.000 0.773 CB 1.361 23 residues pruned to eliminate duplicates Z: 25 16.953 1.955 0.284 0.519 0.958 0.667 CB 1.412 25 residues pruned to eliminate duplicates Z: 27 21.241 1.922 0.557 0.577 0.923 0.692 CB 1.399 27 residues pruned to eliminate duplicates Z: 32 19.436 1.916 0.568 0.506 0.871 0.677 CB 1.326 32 residues pruned to eliminate duplicates Z: 19 19.373 2.000 0.311 0.675 1.000 0.944 CB 1.482 19 residues pruned to eliminate duplicates Z: 28 18.335 1.857 0.420 0.567 0.889 0.704 CB 1.411 28 residues pruned to eliminate duplicates Z: 26 20.152 1.912 0.484 0.571 0.960 0.680 CB 1.381 26 residues pruned to eliminate duplicates Z: 22 17.774 1.919 0.533 0.564 0.857 0.714 CB 1.445 22 residues pruned to eliminate duplicates Z: 24 14.238 1.844 0.445 0.542 0.783 0.696 CB 1.366 24 residues pruned to eliminate duplicates Z: 32 17.971 1.793 0.417 0.538 0.968 0.645 CB 1.264 32 residues pruned to eliminate duplicates Z: 34 21.377 1.933 0.485 0.539 0.909 0.727 CB 1.372 34 residues pruned to eliminate duplicates Z: 23 18.733 1.968 0.392 0.604 1.000 0.864 CB 1.321 23 residues pruned to eliminate duplicates Z: 32 22.568 1.991 0.409 0.602 0.935 0.742 CB 1.402 32 residues pruned to eliminate duplicates Z: 26 19.622 1.990 0.348 0.628 0.960 0.760 CB 1.350 26 residues pruned to eliminate duplicates Z: 34 20.579 1.949 0.405 0.583 0.939 0.606 CB 1.286 34 residues pruned to eliminate duplicates Z: 8 6.417 1.905 0.172 0.497 0.857 0.286 CB 1.271 7 residues pruned to eliminate duplicates Z: 7 4.147 1.580 0.316 0.532 0.833 0.667 CB 0.946 7 residues pruned to eliminate duplicates Z: 41 20.926 1.902 0.304 0.575 0.925 0.675 CB 1.341 41 residues pruned to eliminate duplicates Z: 9 6.878 1.820 0.369 0.489 0.750 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 32 18.130 1.933 0.394 0.527 0.935 0.613 CB 1.258 32 residues pruned to eliminate duplicates Z: 12 6.580 1.724 0.407 0.274 0.909 0.364 N 1.162 12 residues pruned to eliminate duplicates Z: 6 3.464 1.727 0.503 0.471 0.800 0.600 N 0.769 4 residues pruned to eliminate duplicates Z: 6 2.055 1.229 0.406 0.457 1.000 0.600 CB 0.556 Z: 6 2.917 1.508 0.507 0.332 0.600 0.400 CA 1.149 5 residues pruned to eliminate duplicates Z: 19 15.069 1.673 0.401 0.709 0.944 0.778 CB 1.327 19 residues pruned to eliminate duplicates Z: 18 7.576 1.512 0.314 0.501 0.824 0.588 O 1.122 18 residues pruned to eliminate duplicates Z: 6 7.602 1.600 0.175 0.817 1.000 0.600 CA 1.372 6 residues pruned to eliminate duplicates Z: 17 15.431 1.726 0.685 0.584 0.938 0.688 CB 1.306 24 residues pruned to eliminate duplicates Z: 24 16.831 1.709 0.690 0.565 0.913 0.826 CB 1.250 24 residues pruned to eliminate duplicates Z: 32 22.836 1.756 0.671 0.638 0.935 0.710 CB 1.313 32 residues pruned to eliminate duplicates Z: 19 10.712 1.669 0.555 0.586 0.889 0.556 CB 1.008 19 residues pruned to eliminate duplicates Z: 20 14.832 1.775 0.530 0.548 0.947 0.526 CB 1.261 20 residues pruned to eliminate duplicates Z: 20 15.046 1.688 0.680 0.586 0.842 0.579 N 1.332 20 residues pruned to eliminate duplicates Z: 24 21.875 1.711 0.814 0.622 1.000 0.739 CB 1.310 24 residues pruned to eliminate duplicates Z: 18 10.692 1.700 0.503 0.537 0.882 0.529 CB 1.109 18 residues pruned to eliminate duplicates Z: 19 16.185 1.753 0.739 0.553 0.833 0.278 CB 1.425 19 residues pruned to eliminate duplicates Z: 27 19.752 1.728 0.733 0.608 0.885 0.500 CB 1.320 27 residues pruned to eliminate duplicates Z: 19 10.760 1.630 0.547 0.511 0.778 0.333 N 1.279 19 residues pruned to eliminate duplicates Z: 13 15.230 1.777 0.674 0.828 0.917 0.750 CB 1.215 13 residues pruned to eliminate duplicates Z: 12 6.702 1.507 0.162 0.492 1.000 0.636 CA 1.163 818 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 8 D: 11 E: 6 F: 8 G: 13 H: 6 I: 16 J: 18 K: 23 L: 11 M: 30 N: 12 O: 17 P: 54 Q: 8 R: 10 S: 58 T: 6 U: 16 V: 49 W: 21 X: 42 Y: 48 Z: 20 Z: 27 Z: 12 Z: 24 Z: 26 Z: 81 Z: 12 Z: 36 Z: 15 Z: 49 Z: 6 CC for partial structure against native data = 30.30 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.462, Connect. = 0.663 for dens.mod. cycle 1 = 0.300, Contrast = 0.534, Connect. = 0.688 for dens.mod. cycle 2 = 0.300, Contrast = 0.627, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.641, Connect. = 0.726 for dens.mod. cycle 4 = 0.300, Contrast = 0.653, Connect. = 0.730 for dens.mod. cycle 5 = 0.300, Contrast = 0.658, Connect. = 0.733 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.735 for dens.mod. cycle 7 = 0.300, Contrast = 0.665, Connect. = 0.737 for dens.mod. cycle 8 = 0.300, Contrast = 0.667, Connect. = 0.738 for dens.mod. cycle 9 = 0.300, Contrast = 0.667, Connect. = 0.739 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4134 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1112 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 24.872 2.010 0.955 0.793 0.929 0.643 CB 1.409 B: 8 13.435 1.775 0.838 0.711 1.000 0.714 N 1.285 C: 18 14.343 1.885 0.175 0.812 0.941 0.824 CB 1.272 D: 14 15.547 1.845 0.403 0.825 0.923 0.615 CB 1.362 14 residues pruned to eliminate duplicates E: 11 16.568 2.075 0.646 0.861 1.000 0.800 CB 1.127 F: 17 16.293 1.792 0.514 0.885 0.938 0.875 CB 1.156 11 residues pruned to eliminate duplicates G: 15 22.767 1.922 0.929 0.827 1.000 0.714 CB 1.237 15 residues pruned to eliminate duplicates H: 8 10.367 1.756 0.629 0.577 1.000 0.714 N 1.271 I: 15 17.124 1.955 0.380 0.793 1.000 0.929 CB 1.312 18 residues pruned to eliminate duplicates J: 14 19.728 1.971 0.460 0.886 1.000 0.846 CB 1.372 14 residues pruned to eliminate duplicates K: 10 14.693 1.717 0.463 0.766 1.000 0.667 CB 1.539 9 residues pruned to eliminate duplicates L: 8 14.329 1.791 0.467 0.835 1.000 1.000 N 1.544 8 residues pruned to eliminate duplicates M: 15 24.414 2.029 0.917 0.820 1.000 0.571 CB 1.272 15 residues pruned to eliminate duplicates N: 14 23.928 1.851 0.948 0.885 0.923 0.692 CB 1.439 14 residues pruned to eliminate duplicates O: 15 13.353 1.751 0.360 0.882 1.000 0.786 CB 1.084 16 residues pruned to eliminate duplicates P: 9 14.165 1.824 0.575 0.777 0.875 0.625 CB 1.560 9 residues pruned to eliminate duplicates Q: 14 26.058 2.066 1.064 0.714 0.923 0.769 CB 1.513 R: 13 15.294 2.016 0.509 0.806 0.917 0.833 CB 1.212 S: 13 17.134 1.937 0.698 0.898 1.000 1.000 CB 1.076 13 residues pruned to eliminate duplicates T: 16 23.581 1.936 0.878 0.888 1.000 0.800 CB 1.207 16 residues pruned to eliminate duplicates U: 8 5.987 1.776 0.259 0.400 0.857 0.571 CB 1.312 V: 31 20.224 1.919 0.436 0.519 0.900 0.533 CB 1.461 W: 7 5.382 1.825 0.137 0.643 0.833 0.833 CB 1.111 X: 12 14.827 1.927 0.595 0.609 0.909 0.727 CA 1.443 Y: 8 7.072 1.682 0.804 0.527 0.857 0.857 CB 1.001 7 residues pruned to eliminate duplicates Z: 11 19.838 1.970 0.590 0.907 1.000 0.900 CB 1.423 Z: 16 11.455 1.779 0.274 0.779 0.933 0.733 CB 1.093 Z: 8 10.240 1.749 0.463 0.807 1.000 0.714 CB 1.158 Z: 14 13.285 1.852 0.481 0.689 0.923 0.692 CB 1.224 Z: 9 6.227 1.809 0.418 0.407 0.750 0.375 CB 1.261 Z: 14 20.456 1.932 0.703 0.803 1.000 0.692 CB 1.324 14 residues pruned to eliminate duplicates Z: 15 22.523 1.924 0.987 0.808 0.929 0.643 CB 1.295 15 residues pruned to eliminate duplicates Z: 8 7.263 1.723 0.490 0.531 1.000 0.571 N 1.037 Z: 11 14.510 1.850 0.982 0.726 0.900 0.800 CB 1.134 Z: 10 3.761 1.722 0.352 0.396 0.667 0.667 N 0.901 Z: 9 10.262 1.776 0.250 0.873 0.875 0.750 CB 1.360 Z: 11 10.667 1.821 0.975 0.789 0.800 0.400 CB 0.910 Z: 31 20.476 1.882 0.640 0.502 0.900 0.567 CB 1.344 29 residues pruned to eliminate duplicates Z: 16 10.586 1.765 0.597 0.371 0.933 0.600 CB 1.193 Z: 11 22.132 1.837 0.947 0.861 1.000 0.700 CA 1.438 11 residues pruned to eliminate duplicates Z: 16 16.505 1.899 0.379 0.816 0.933 0.800 CB 1.325 16 residues pruned to eliminate duplicates Z: 15 11.017 1.939 0.336 0.421 0.857 0.643 CB 1.440 Z: 10 10.130 2.005 0.809 0.824 0.778 0.667 CB 0.904 10 residues pruned to eliminate duplicates Z: 12 25.802 1.973 1.210 0.895 1.000 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 16 21.604 2.012 0.964 0.594 0.933 0.800 CB 1.382 16 residues pruned to eliminate duplicates Z: 16 22.844 2.086 0.950 0.720 0.867 0.600 CB 1.371 16 residues pruned to eliminate duplicates Z: 11 5.611 1.751 0.260 0.325 0.900 0.600 CB 1.083 Z: 8 5.580 1.834 0.377 0.351 0.714 0.429 CA 1.373 Z: 14 15.126 1.764 0.328 0.936 1.000 0.846 CB 1.247 Z: 16 19.396 1.984 0.905 0.638 0.933 0.733 CB 1.248 14 residues pruned to eliminate duplicates Z: 22 10.981 1.871 0.450 0.359 0.857 0.429 CB 1.200 22 residues pruned to eliminate duplicates Z: 9 14.362 2.100 0.317 0.679 1.000 1.000 CA 1.557 9 residues pruned to eliminate duplicates Z: 12 5.335 1.762 0.443 0.291 0.727 0.273 CB 1.099 Z: 9 5.452 1.763 0.294 0.447 0.750 0.500 CB 1.190 8 residues pruned to eliminate duplicates Z: 8 15.421 1.891 0.773 0.751 0.857 0.571 CB 1.620 8 residues pruned to eliminate duplicates Z: 10 14.526 1.910 0.659 0.824 1.000 0.444 CB 1.154 10 residues pruned to eliminate duplicates Z: 14 12.067 1.932 0.417 0.475 1.000 0.538 CB 1.254 9 residues pruned to eliminate duplicates Z: 8 7.953 1.799 0.170 0.789 1.000 0.857 CB 1.108 Z: 13 21.585 1.819 0.656 0.915 1.000 1.000 CB 1.461 11 residues pruned to eliminate duplicates Z: 13 9.233 1.637 0.516 0.602 1.000 0.833 CB 0.975 Z: 11 14.568 1.931 0.776 0.836 0.800 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 13 18.946 1.859 0.644 0.846 0.917 0.833 CB 1.451 Z: 16 14.559 1.678 0.549 0.906 1.000 0.867 CB 1.028 14 residues pruned to eliminate duplicates Z: 14 18.883 1.985 0.900 0.581 1.000 0.846 CB 1.284 15 residues pruned to eliminate duplicates Z: 11 17.069 1.964 0.744 0.870 0.900 0.700 CB 1.279 11 residues pruned to eliminate duplicates Z: 16 13.359 1.895 0.255 0.755 1.000 0.867 CB 1.156 22 residues pruned to eliminate duplicates Z: 24 11.680 1.810 0.620 0.447 0.783 0.522 CB 1.120 Z: 12 10.172 1.781 0.513 0.615 0.909 0.818 CB 1.122 Z: 12 23.016 2.139 0.704 0.878 1.000 1.000 CB 1.382 12 residues pruned to eliminate duplicates Z: 22 7.386 1.663 0.492 0.381 0.810 0.476 CB 0.911 Z: 12 11.982 1.799 0.500 0.839 0.909 0.818 CB 1.100 8 residues pruned to eliminate duplicates Z: 21 14.050 1.850 0.683 0.634 0.850 0.550 CB 1.048 Z: 7 7.686 1.724 0.573 0.842 1.000 0.833 CB 0.863 Z: 7 10.297 1.582 0.832 0.769 1.000 0.833 N 1.143 Z: 58 23.983 1.926 0.579 0.499 0.877 0.526 CB 1.193 39 residues pruned to eliminate duplicates Z: 6 12.511 1.868 0.887 0.768 1.000 0.600 CA 1.252 Z: 8 5.522 1.625 0.314 0.584 0.857 0.429 CA 1.052 Z: 7 7.174 1.635 0.454 0.723 0.833 0.667 O 1.209 7 residues pruned to eliminate duplicates Z: 10 13.416 1.908 0.662 0.823 0.889 0.778 CA 1.200 10 residues pruned to eliminate duplicates Z: 12 8.260 1.779 0.232 0.460 0.909 0.727 CB 1.303 Z: 17 17.033 1.843 0.507 0.846 1.000 0.625 CB 1.139 13 residues pruned to eliminate duplicates Z: 21 9.416 1.809 0.357 0.397 0.800 0.450 CB 1.195 12 residues pruned to eliminate duplicates Z: 22 21.066 2.019 0.719 0.594 0.952 0.619 CB 1.271 22 residues pruned to eliminate duplicates Z: 6 8.760 1.827 0.220 0.746 1.000 1.000 CB 1.410 Z: 26 15.827 1.883 0.403 0.468 0.920 0.560 CB 1.346 16 residues pruned to eliminate duplicates Z: 11 19.523 1.927 0.757 0.877 1.000 0.700 CB 1.324 11 residues pruned to eliminate duplicates Z: 14 13.185 1.881 0.414 0.824 0.923 0.769 CB 1.124 14 residues pruned to eliminate duplicates Z: 7 12.278 1.866 0.503 0.825 1.000 1.000 CA 1.348 7 residues pruned to eliminate duplicates Z: 36 16.107 1.857 0.476 0.331 0.886 0.457 CB 1.349 36 residues pruned to eliminate duplicates Z: 12 12.523 1.874 0.598 0.726 0.818 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 13 18.274 1.785 0.598 0.932 1.000 1.000 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 18.149 1.870 0.618 0.890 1.000 0.818 CA 1.301 12 residues pruned to eliminate duplicates Z: 33 19.923 1.925 0.435 0.515 0.938 0.594 CB 1.339 29 residues pruned to eliminate duplicates Z: 14 13.873 1.840 0.229 0.811 1.000 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 9 10.474 1.999 0.514 0.485 0.750 0.500 CB 1.656 9 residues pruned to eliminate duplicates Z: 7 10.188 1.760 0.813 0.533 1.000 0.500 CA 1.262 Z: 18 18.449 1.711 0.699 0.812 0.941 0.706 CB 1.246 18 residues pruned to eliminate duplicates Z: 19 10.611 1.912 0.434 0.403 0.833 0.333 CB 1.212 19 residues pruned to eliminate duplicates Z: 8 13.241 1.814 0.498 0.751 1.000 0.714 N 1.472 8 residues pruned to eliminate duplicates Z: 9 12.233 1.735 0.390 0.740 1.000 0.625 C 1.447 9 residues pruned to eliminate duplicates Z: 11 7.736 1.828 0.426 0.434 0.900 0.500 CB 1.116 8 residues pruned to eliminate duplicates Z: 15 13.090 1.965 0.470 0.807 0.929 0.786 CB 0.998 15 residues pruned to eliminate duplicates Z: 6 6.542 1.731 0.396 0.694 0.800 0.200 CB 1.267 6 residues pruned to eliminate duplicates Z: 15 7.543 1.577 0.528 0.511 0.929 0.643 CB 0.891 14 residues pruned to eliminate duplicates Z: 10 13.281 1.906 0.583 0.627 0.889 0.556 CB 1.464 14 residues pruned to eliminate duplicates Z: 11 19.736 1.712 1.004 0.820 1.000 0.300 CB 1.377 11 residues pruned to eliminate duplicates Z: 13 19.177 1.792 0.656 0.863 0.917 0.750 CB 1.493 13 residues pruned to eliminate duplicates Z: 13 16.406 1.902 0.278 0.921 1.000 1.000 CA 1.371 13 residues pruned to eliminate duplicates Z: 11 9.786 1.721 0.644 0.680 0.900 0.500 CB 1.030 6 1.605 1.396 0.690 0.298 0.400 0.400 O 0.953 ? Z: 17 13.159 1.925 0.529 0.801 1.000 0.750 CB 0.859 13 residues pruned to eliminate duplicates Z: 15 12.657 1.849 0.221 0.746 1.000 0.857 CB 1.203 15 residues pruned to eliminate duplicates Z: 11 11.573 1.750 0.468 0.758 0.800 0.600 CB 1.415 9 residues pruned to eliminate duplicates Z: 16 16.892 1.782 0.514 0.822 0.933 0.800 CB 1.310 16 residues pruned to eliminate duplicates Z: 14 15.162 1.805 0.259 0.896 1.000 0.923 CB 1.326 14 residues pruned to eliminate duplicates Z: 10 8.666 1.690 0.675 0.498 0.778 0.556 CB 1.314 10 residues pruned to eliminate duplicates Z: 42 15.202 1.851 0.178 0.531 0.829 0.610 CB 1.274 40 residues pruned to eliminate duplicates Z: 10 12.377 1.807 0.610 0.662 0.889 0.889 CB 1.372 Z: 8 7.303 1.605 0.527 0.601 0.857 0.429 CB 1.194 Z: 15 12.124 1.835 0.627 0.563 0.857 0.500 CB 1.192 12 residues pruned to eliminate duplicates Z: 9 4.320 1.633 0.184 0.405 0.875 0.625 CB 0.998 Z: 12 5.384 1.708 0.367 0.409 0.727 0.545 CB 1.052 Z: 30 19.360 1.897 0.543 0.524 0.862 0.621 CB 1.391 30 residues pruned to eliminate duplicates Z: 8 6.223 1.716 0.265 0.586 0.857 0.571 CB 1.165 8 residues pruned to eliminate duplicates Z: 7 9.088 1.643 0.695 0.722 0.833 0.500 N 1.308 7 residues pruned to eliminate duplicates Z: 15 14.269 1.690 0.360 0.704 1.000 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 17 16.303 1.791 0.595 0.774 0.938 0.562 CB 1.194 17 residues pruned to eliminate duplicates Z: 13 13.365 1.816 0.167 0.913 1.000 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 15 13.153 1.843 0.511 0.823 0.857 0.571 CB 1.113 15 residues pruned to eliminate duplicates Z: 8 14.247 1.814 0.427 0.829 1.000 0.714 CB 1.566 8 residues pruned to eliminate duplicates Z: 10 13.051 1.745 0.668 0.903 1.000 1.000 CB 1.065 Z: 9 17.435 2.096 0.403 0.905 1.000 1.000 CB 1.493 9 residues pruned to eliminate duplicates Z: 7 7.334 1.524 0.591 0.682 1.000 0.667 CB 1.044 7 residues pruned to eliminate duplicates Z: 18 19.274 1.968 0.655 0.646 0.941 0.706 CB 1.331 18 residues pruned to eliminate duplicates Z: 12 17.270 1.919 0.422 0.884 1.000 0.909 CB 1.379 12 residues pruned to eliminate duplicates Z: 10 16.464 1.849 0.485 0.883 1.000 0.778 N 1.446 10 residues pruned to eliminate duplicates Z: 6 8.304 1.804 0.483 0.659 1.000 0.600 N 1.197 Z: 13 15.009 1.767 0.480 0.904 1.000 0.833 CB 1.180 13 residues pruned to eliminate duplicates Z: 7 4.948 1.830 0.733 0.326 0.833 0.333 CB 0.925 Z: 6 6.138 1.611 0.352 0.650 0.800 0.400 CB 1.370 Z: 6 5.447 1.524 0.479 0.570 0.800 0.800 CB 1.262 Z: 7 5.250 1.282 0.424 0.646 1.000 0.333 CB 1.025 Z: 12 17.620 2.007 0.935 0.501 1.000 0.727 CB 1.367 12 residues pruned to eliminate duplicates Z: 20 12.446 1.850 0.447 0.499 0.895 0.684 CB 1.192 22 residues pruned to eliminate duplicates Z: 7 6.105 1.690 0.472 0.718 0.833 0.833 CA 0.987 7 residues pruned to eliminate duplicates Z: 17 14.872 1.700 0.458 0.837 1.000 0.750 CB 1.122 17 residues pruned to eliminate duplicates Z: 6 6.825 1.631 0.186 0.845 1.000 0.800 CB 1.172 6 residues pruned to eliminate duplicates Z: 10 2.808 1.339 0.441 0.160 0.667 0.222 C 1.102 Z: 11 12.724 1.756 0.963 0.785 1.000 0.800 CB 0.908 Z: 6 6.739 1.764 0.344 0.494 1.000 0.800 CB 1.278 Z: 14 13.138 1.660 0.581 0.811 0.846 0.615 N 1.251 13 residues pruned to eliminate duplicates Z: 12 8.891 1.609 0.540 0.762 0.909 0.818 CB 0.944 Z: 10 4.260 1.740 -0.113 0.586 0.889 0.667 CB 0.953 3 residues pruned to eliminate duplicates Z: 6 7.817 1.512 0.945 0.832 0.800 0.800 O 1.116 Z: 12 12.372 1.991 0.284 0.816 1.000 0.818 CB 1.108 12 residues pruned to eliminate duplicates Z: 6 6.336 1.678 0.244 0.853 1.000 1.000 CB 1.004 Z: 13 12.523 1.971 0.382 0.794 0.917 0.917 CB 1.118 13 residues pruned to eliminate duplicates Z: 6 9.840 1.823 0.846 0.725 0.800 0.600 N 1.334 6 residues pruned to eliminate duplicates Z: 6 10.416 1.920 0.459 0.790 1.000 1.000 CB 1.289 6 residues pruned to eliminate duplicates Z: 7 3.897 1.483 0.162 0.479 0.833 0.333 CB 1.132 Z: 14 10.271 1.786 0.160 0.827 0.923 0.769 CB 1.122 14 residues pruned to eliminate duplicates Z: 12 10.174 1.735 0.310 0.864 1.000 0.818 CB 0.989 12 residues pruned to eliminate duplicates Z: 9 5.178 1.742 0.325 0.524 0.750 0.625 CB 1.033 9 residues pruned to eliminate duplicates Z: 15 23.948 1.970 1.090 0.670 1.000 0.786 CB 1.329 15 residues pruned to eliminate duplicates Z: 8 11.368 1.733 0.755 0.872 1.000 0.857 CB 1.030 8 residues pruned to eliminate duplicates Z: 6 3.879 1.739 0.096 0.428 1.000 0.600 CB 0.981 Z: 11 9.664 1.707 0.587 0.770 0.900 0.900 CB 0.987 11 residues pruned to eliminate duplicates Z: 9 10.832 1.658 0.502 0.849 1.000 0.750 CB 1.140 9 residues pruned to eliminate duplicates Z: 7 3.419 1.690 0.186 0.269 0.833 0.500 CB 1.087 Z: 7 2.972 1.633 0.023 0.546 0.667 0.500 N 1.041 7 residues pruned to eliminate duplicates Z: 12 13.425 1.860 0.598 0.730 0.818 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 20 18.529 1.678 0.667 0.864 0.947 0.737 CB 1.176 15 residues pruned to eliminate duplicates Z: 8 14.976 1.829 0.511 0.800 1.000 0.714 N 1.575 8 residues pruned to eliminate duplicates Z: 14 15.936 1.957 0.406 0.818 0.923 0.769 CB 1.321 14 residues pruned to eliminate duplicates Z: 14 3.988 1.731 0.340 0.235 0.692 0.308 CB 0.938 Z: 7 5.575 1.742 0.317 0.621 0.833 0.667 CB 1.062 Z: 10 4.661 1.703 -0.133 0.426 0.889 0.556 CB 1.278 7 residues pruned to eliminate duplicates Z: 10 7.446 1.473 0.130 0.858 1.000 1.000 O 1.098 Z: 15 9.559 1.662 0.371 0.883 1.000 0.929 CB 0.811 15 residues pruned to eliminate duplicates Z: 10 6.395 1.792 0.304 0.826 1.000 1.000 CB 0.688 Z: 15 8.686 1.789 0.308 0.551 0.857 0.571 CB 1.102 10 residues pruned to eliminate duplicates Z: 15 10.800 1.762 0.045 0.895 1.000 1.000 CB 1.124 16 residues pruned to eliminate duplicates Z: 35 15.063 1.763 0.514 0.469 0.824 0.588 CB 1.212 54 residues pruned to eliminate duplicates Z: 14 11.837 1.826 0.093 0.874 1.000 0.846 CB 1.197 14 residues pruned to eliminate duplicates Z: 7 3.815 1.211 0.696 0.773 0.833 0.667 CB 0.714 6 residues pruned to eliminate duplicates Z: 6 4.857 1.547 0.015 0.755 1.000 0.600 CB 1.102 Z: 6 2.175 1.482 -0.042 0.545 0.600 0.600 CB 1.094 Z: 15 16.861 1.728 0.738 0.889 0.929 0.429 CB 1.164 15 residues pruned to eliminate duplicates Z: 15 8.539 1.699 0.129 0.527 0.929 0.643 CB 1.248 15 residues pruned to eliminate duplicates Z: 11 12.531 2.012 0.457 0.504 0.900 0.700 CB 1.496 11 residues pruned to eliminate duplicates Z: 31 18.873 1.950 0.388 0.622 0.967 0.767 CB 1.174 31 residues pruned to eliminate duplicates Z: 8 8.823 1.696 0.542 0.735 0.857 0.286 CA 1.205 8 residues pruned to eliminate duplicates Z: 21 10.268 1.781 0.442 0.304 0.850 0.450 CB 1.308 17 residues pruned to eliminate duplicates Z: 12 15.736 1.829 0.425 0.831 0.909 0.818 CA 1.505 12 residues pruned to eliminate duplicates Z: 15 17.223 1.931 0.535 0.831 0.929 0.643 CB 1.256 Z: 7 3.851 1.498 0.666 0.301 0.833 0.667 CA 0.944 Z: 21 11.567 1.809 0.549 0.458 0.800 0.600 CB 1.204 21 residues pruned to eliminate duplicates Z: 16 22.080 1.931 0.690 0.822 0.933 0.667 CB 1.416 31 residues pruned to eliminate duplicates Z: 7 9.132 1.790 0.491 0.790 1.000 0.833 CB 1.083 Z: 8 5.127 1.614 0.029 0.488 0.857 0.429 O 1.378 Z: 9 7.084 1.556 0.014 0.850 1.000 0.875 O 1.176 6 residues pruned to eliminate duplicates Z: 9 6.508 1.485 0.440 0.818 1.000 0.750 CB 0.816 9 residues pruned to eliminate duplicates Z: 26 18.993 1.901 0.725 0.500 0.920 0.560 CB 1.259 26 residues pruned to eliminate duplicates Z: 6 4.482 1.668 0.099 0.408 1.000 0.600 CB 1.204 Z: 15 16.152 1.973 0.249 0.827 1.000 0.929 CB 1.320 15 residues pruned to eliminate duplicates Z: 7 4.919 1.446 0.697 0.363 0.833 0.333 N 1.138 Z: 6 2.126 1.506 0.186 0.396 0.600 0.400 CB 0.990 6 residues pruned to eliminate duplicates Z: 11 15.939 1.874 0.402 0.825 1.000 0.800 CB 1.448 11 residues pruned to eliminate duplicates Z: 14 11.935 1.682 0.838 0.746 0.923 0.769 CB 0.931 19 residues pruned to eliminate duplicates Z: 9 5.814 1.438 0.817 0.425 0.750 0.625 O 1.134 8 residues pruned to eliminate duplicates Z: 7 5.377 1.922 0.485 0.445 1.000 0.500 CB 0.814 8 residues pruned to eliminate duplicates Z: 22 14.347 1.855 0.543 0.491 0.952 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 13 9.504 1.769 0.324 0.836 0.917 0.833 CB 0.956 13 residues pruned to eliminate duplicates 6 1.554 1.089 0.601 0.433 0.600 0.400 C 0.712 ? Z: 7 3.019 1.467 0.496 0.373 0.667 0.500 CB 0.965 Z: 6 6.291 1.731 0.288 0.632 0.800 0.600 CB 1.393 6 residues pruned to eliminate duplicates Z: 6 9.469 1.759 0.658 0.789 1.000 0.800 CB 1.127 6 residues pruned to eliminate duplicates Z: 6 9.617 1.715 0.668 0.842 1.000 0.800 CB 1.121 6 residues pruned to eliminate duplicates Z: 15 20.090 1.976 0.732 0.786 1.000 0.571 CB 1.220 15 residues pruned to eliminate duplicates Z: 6 7.466 1.643 0.704 0.621 0.800 0.400 CB 1.330 5 residues pruned to eliminate duplicates Z: 9 7.540 1.720 0.345 0.461 0.875 0.750 CA 1.371 9 residues pruned to eliminate duplicates Z: 18 14.095 1.781 0.789 0.442 0.882 0.471 CB 1.291 16 residues pruned to eliminate duplicates Z: 22 10.661 1.828 0.616 0.294 0.857 0.429 CB 1.158 8 residues pruned to eliminate duplicates Z: 15 10.917 1.865 0.682 0.766 0.786 0.571 CB 0.935 15 residues pruned to eliminate duplicates Z: 8 9.452 1.852 0.661 0.521 0.857 0.571 CB 1.326 8 residues pruned to eliminate duplicates Z: 13 8.814 1.824 0.381 0.526 0.833 0.417 CB 1.182 7 residues pruned to eliminate duplicates Z: 7 2.649 1.549 0.644 0.220 0.667 0.500 CB 0.885 Z: 24 12.826 1.860 0.473 0.434 0.826 0.565 CB 1.265 35 residues pruned to eliminate duplicates Z: 6 5.645 1.510 0.566 0.670 1.000 0.400 CB 0.913 5 residues pruned to eliminate duplicates Z: 6 3.594 1.726 0.185 0.373 0.800 0.600 N 1.126 Z: 6 4.668 1.394 0.776 0.655 0.800 0.800 C 0.912 Z: 12 11.814 1.676 0.709 0.762 1.000 0.818 CB 0.986 11 residues pruned to eliminate duplicates Z: 15 15.782 1.870 0.589 0.593 1.000 0.786 CB 1.298 15 residues pruned to eliminate duplicates Z: 14 17.186 1.829 0.737 0.888 1.000 0.769 CB 1.081 14 residues pruned to eliminate duplicates Z: 6 7.328 1.933 0.436 0.586 0.800 0.200 CB 1.360 6 residues pruned to eliminate duplicates Z: 9 7.186 1.927 0.007 0.848 0.875 0.750 CB 1.110 9 residues pruned to eliminate duplicates Z: 12 11.504 1.785 0.493 0.798 0.909 0.818 CB 1.103 12 residues pruned to eliminate duplicates Z: 9 10.543 1.638 0.753 0.855 0.875 0.750 CB 1.095 8 residues pruned to eliminate duplicates Z: 18 19.945 1.735 0.711 0.855 1.000 0.647 CB 1.203 18 residues pruned to eliminate duplicates Z: 8 3.969 1.521 -0.106 0.330 1.000 0.571 CA 1.328 8 residues pruned to eliminate duplicates Z: 14 5.850 1.556 0.515 0.465 0.846 0.385 CB 0.843 8 residues pruned to eliminate duplicates Z: 8 8.528 1.782 0.297 0.778 1.000 0.429 CB 1.092 8 residues pruned to eliminate duplicates Z: 13 19.608 1.871 0.548 0.872 1.000 0.667 N 1.425 13 residues pruned to eliminate duplicates 6 1.921 1.375 0.492 0.262 0.800 0.600 CB 0.688 ? Z: 8 13.911 1.806 0.802 0.699 1.000 0.571 CB 1.348 Z: 9 10.131 1.598 0.615 0.856 0.875 0.875 CB 1.169 10 residues pruned to eliminate duplicates Z: 12 17.892 1.817 0.849 0.882 1.000 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 15 10.457 1.648 0.242 0.852 0.929 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 11 15.706 1.936 0.408 0.792 1.000 0.900 CB 1.410 11 residues pruned to eliminate duplicates Z: 14 16.756 1.795 0.544 0.856 1.000 0.385 CB 1.237 14 residues pruned to eliminate duplicates Z: 13 12.727 1.718 0.813 0.793 1.000 0.750 CB 0.912 13 residues pruned to eliminate duplicates Z: 13 7.684 1.730 0.196 0.429 0.917 0.417 CB 1.260 13 residues pruned to eliminate duplicates Z: 23 15.157 1.907 0.575 0.530 0.864 0.409 CB 1.210 23 residues pruned to eliminate duplicates Z: 10 5.769 1.567 0.288 0.814 0.889 0.889 CB 0.815 10 residues pruned to eliminate duplicates Z: 15 15.427 1.769 0.217 0.858 1.000 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 8 3.710 1.458 0.315 0.404 0.714 0.571 CB 1.132 Z: 8 2.779 1.505 0.685 0.468 0.571 0.286 CB 0.749 Z: 21 13.724 1.780 0.562 0.463 0.900 0.450 CB 1.274 16 residues pruned to eliminate duplicates Z: 8 8.177 1.618 0.579 0.799 0.857 0.857 CA 1.087 Z: 7 8.574 1.650 0.582 0.865 0.833 0.500 N 1.178 8 residues pruned to eliminate duplicates Z: 27 17.510 1.971 0.536 0.428 0.885 0.615 CB 1.381 27 residues pruned to eliminate duplicates Z: 8 13.053 1.812 0.674 0.832 1.000 0.857 CB 1.221 9 residues pruned to eliminate duplicates Z: 18 7.957 1.601 0.756 0.474 0.765 0.588 CB 0.922 13 residues pruned to eliminate duplicates Z: 8 3.189 1.570 0.254 0.310 0.714 0.286 CB 1.058 7 residues pruned to eliminate duplicates Z: 7 2.162 1.411 0.619 0.249 0.667 0.500 N 0.774 Z: 16 24.947 1.898 0.747 0.865 1.000 0.933 CB 1.423 18 residues pruned to eliminate duplicates Z: 14 8.205 1.834 0.449 0.502 0.769 0.615 CB 1.111 14 residues pruned to eliminate duplicates Z: 8 2.946 1.519 0.315 0.328 0.714 0.429 CB 0.943 Z: 13 13.499 1.929 0.426 0.889 1.000 0.917 CB 1.020 13 residues pruned to eliminate duplicates Z: 13 5.695 1.752 0.457 0.369 0.750 0.583 CB 0.988 15 residues pruned to eliminate duplicates Z: 14 16.764 1.812 0.715 0.762 0.923 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 6 3.775 1.543 0.835 0.403 0.600 0.600 N 1.101 Z: 7 3.626 1.426 0.184 0.409 0.833 0.500 O 1.157 Z: 9 2.383 1.445 0.009 0.460 0.875 0.625 CB 0.688 Z: 15 10.507 1.685 0.105 0.867 0.929 0.786 CB 1.188 15 residues pruned to eliminate duplicates Z: 12 7.498 1.889 0.261 0.461 0.909 0.455 CB 1.086 12 residues pruned to eliminate duplicates Z: 6 2.248 1.404 0.124 0.451 0.600 0.600 N 1.117 Z: 7 10.035 1.868 0.409 0.797 0.833 0.833 N 1.440 Z: 10 4.059 1.501 0.231 0.250 0.778 0.111 O 1.255 Z: 6 4.042 1.586 0.538 0.298 0.800 0.800 CB 1.161 Z: 27 10.241 1.747 0.438 0.397 0.769 0.654 CB 1.159 27 residues pruned to eliminate duplicates Z: 6 5.798 1.748 0.309 0.820 1.000 0.600 CB 0.858 Z: 21 7.571 1.731 0.475 0.320 0.800 0.450 CB 1.012 Z: 8 6.493 1.594 0.840 0.716 1.000 0.857 CB 0.688 8 residues pruned to eliminate duplicates Z: 9 3.852 1.645 0.236 0.323 1.000 0.500 CB 0.813 Z: 12 4.820 1.466 0.464 0.355 0.727 0.545 CB 1.089 Z: 8 9.621 1.692 0.858 0.475 0.857 0.571 CB 1.383 Z: 7 6.910 1.806 0.898 0.331 0.833 0.500 CB 1.188 Z: 7 3.740 1.605 0.350 0.583 0.833 0.667 CB 0.782 Z: 7 5.150 1.735 0.739 0.411 0.833 0.833 CB 0.919 Z: 6 4.091 1.791 0.007 0.578 0.800 0.800 CB 1.177 6 residues pruned to eliminate duplicates Z: 11 4.621 1.619 0.085 0.356 0.800 0.400 CB 1.215 Z: 7 4.591 1.557 0.408 0.651 0.833 0.833 N 0.891 Z: 17 11.600 1.594 0.624 0.697 0.938 0.875 CB 0.998 12 residues pruned to eliminate duplicates Z: 16 9.077 1.707 0.394 0.424 0.800 0.467 CB 1.332 16 residues pruned to eliminate duplicates Z: 6 4.225 1.678 0.095 0.836 1.000 1.000 CB 0.770 Z: 12 13.165 1.632 0.517 0.845 1.000 0.909 CB 1.192 12 residues pruned to eliminate duplicates Z: 6 4.714 1.525 0.805 0.300 0.800 0.400 N 1.197 Z: 17 17.283 1.804 0.294 0.824 1.000 0.938 CB 1.398 17 residues pruned to eliminate duplicates Z: 11 3.982 1.680 0.761 0.294 0.600 0.300 CB 0.893 11 residues pruned to eliminate duplicates Z: 18 12.282 1.811 0.390 0.661 0.882 0.706 CB 1.155 17 residues pruned to eliminate duplicates Z: 8 4.123 1.499 0.215 0.519 1.000 0.571 CB 0.839 Z: 13 13.512 1.763 0.881 0.546 0.917 0.583 CB 1.226 13 residues pruned to eliminate duplicates Z: 6 12.710 1.865 0.517 0.718 1.000 0.800 CA 1.649 8 residues pruned to eliminate duplicates Z: 13 14.068 1.735 0.805 0.838 1.000 1.000 CB 0.969 50 residues pruned to eliminate duplicates Z: 10 11.439 1.543 0.634 0.788 1.000 0.667 CB 1.175 12 residues pruned to eliminate duplicates Z: 6 4.728 1.821 0.172 0.477 0.800 0.600 CB 1.267 Z: 7 2.865 1.602 0.408 0.202 0.667 0.500 N 1.108 Z: 26 11.860 1.619 0.439 0.531 0.880 0.520 CB 1.122 28 residues pruned to eliminate duplicates Z: 8 3.808 1.462 0.189 0.476 0.857 0.571 CB 0.990 Z: 9 6.048 1.588 0.193 0.722 1.000 0.500 CB 0.924 Z: 6 3.847 1.558 0.290 0.448 0.800 0.400 O 1.128 Z: 41 23.496 1.959 0.566 0.546 0.925 0.600 CB 1.252 41 residues pruned to eliminate duplicates Z: 9 7.457 1.483 0.429 0.524 1.000 0.750 CB 1.216 8 residues pruned to eliminate duplicates Z: 10 6.462 1.717 0.050 0.684 1.000 0.778 CB 1.009 9 residues pruned to eliminate duplicates Z: 9 4.308 1.725 0.385 0.475 0.750 0.375 CB 0.871 7 residues pruned to eliminate duplicates Z: 8 6.970 1.779 0.405 0.612 0.857 0.714 CA 1.106 8 residues pruned to eliminate duplicates Z: 6 4.366 1.540 0.018 0.692 1.000 0.400 CB 1.046 5 residues pruned to eliminate duplicates Z: 16 21.625 1.842 0.652 0.811 0.933 0.533 CA 1.499 7 residues pruned to eliminate duplicates Z: 11 8.331 1.594 1.123 0.746 0.800 0.600 CB 0.781 9 residues pruned to eliminate duplicates Z: 6 2.733 1.628 0.025 0.290 0.800 0.400 CB 1.159 Z: 7 5.263 1.679 0.328 0.387 0.833 0.333 N 1.304 Z: 7 10.495 1.799 0.476 0.760 1.000 0.500 CB 1.280 7 residues pruned to eliminate duplicates Z: 29 17.110 1.938 0.433 0.519 0.929 0.536 CB 1.230 13 residues pruned to eliminate duplicates Z: 6 7.295 1.723 0.191 0.876 0.800 0.600 O 1.445 6 residues pruned to eliminate duplicates Z: 9 4.408 1.672 0.245 0.576 0.750 0.625 CB 0.928 Z: 17 14.820 1.868 0.361 0.810 1.000 0.688 CB 1.113 17 residues pruned to eliminate duplicates Z: 10 9.446 1.664 0.346 0.896 1.000 0.889 CB 1.006 9 residues pruned to eliminate duplicates Z: 28 13.781 1.795 0.332 0.621 0.889 0.481 CB 1.113 34 residues pruned to eliminate duplicates Z: 31 16.483 1.896 0.710 0.554 0.867 0.433 CB 1.016 31 residues pruned to eliminate duplicates Z: 6 4.351 1.800 0.220 0.313 0.800 0.400 CB 1.363 Z: 8 4.645 1.561 0.057 0.618 1.000 0.857 CB 0.952 6 1.550 1.493 0.091 0.517 0.800 0.600 CB 0.523 ? Z: 11 11.216 1.643 0.613 0.902 1.000 0.900 CB 0.955 12 residues pruned to eliminate duplicates Z: 7 8.534 1.819 0.763 0.513 0.833 0.667 CB 1.287 Z: 7 3.322 1.283 0.808 0.242 0.833 0.167 O 0.946 Z: 15 12.117 1.751 0.313 0.834 0.929 0.571 CB 1.137 15 residues pruned to eliminate duplicates Z: 9 4.085 1.578 0.628 0.504 0.625 0.625 CB 0.896 Z: 13 12.204 1.656 0.692 0.690 0.833 0.417 CB 1.268 13 residues pruned to eliminate duplicates Z: 9 3.581 1.647 0.103 0.373 0.750 0.500 CB 1.064 Z: 15 5.657 1.661 0.223 0.399 0.714 0.500 CB 1.159 Z: 7 4.209 1.563 0.081 0.585 1.000 0.667 CA 0.938 6 residues pruned to eliminate duplicates Z: 10 3.805 1.459 0.574 0.424 0.778 0.444 CB 0.769 Z: 12 6.741 1.643 0.266 0.279 1.000 0.545 CB 1.254 12 residues pruned to eliminate duplicates Z: 26 13.336 1.719 0.417 0.510 0.880 0.600 CB 1.232 15 residues pruned to eliminate duplicates Z: 34 19.356 1.903 0.565 0.481 0.848 0.515 CB 1.359 34 residues pruned to eliminate duplicates Z: 26 20.137 1.811 0.798 0.676 0.960 0.560 CB 1.096 26 residues pruned to eliminate duplicates Z: 9 7.046 1.419 0.476 0.828 0.875 0.625 N 1.024 9 residues pruned to eliminate duplicates Z: 13 14.175 1.591 0.711 0.854 1.000 0.917 CB 1.110 11 residues pruned to eliminate duplicates Z: 16 7.298 1.822 0.297 0.306 0.867 0.667 CB 1.141 Z: 14 22.029 1.984 0.555 0.881 1.000 1.000 CA 1.433 14 residues pruned to eliminate duplicates Z: 12 11.513 1.788 0.528 0.831 0.909 0.727 CB 1.050 12 residues pruned to eliminate duplicates Z: 6 6.073 1.462 0.836 0.479 1.000 0.600 CB 1.034 7 residues pruned to eliminate duplicates Z: 10 4.054 1.600 0.405 0.197 1.000 0.556 CB 0.862 Z: 9 10.694 1.594 0.400 0.841 1.000 1.000 CA 1.264 9 residues pruned to eliminate duplicates Z: 15 3.686 1.419 0.410 0.274 0.643 0.357 CB 0.989 14 residues pruned to eliminate duplicates Z: 6 3.951 1.433 0.971 0.288 0.600 0.400 CB 1.323 Z: 13 11.017 1.753 0.416 0.773 0.917 0.500 CB 1.098 13 residues pruned to eliminate duplicates Z: 24 9.638 1.837 0.352 0.295 0.826 0.304 CB 1.233 35 residues pruned to eliminate duplicates Z: 12 5.710 1.504 0.456 0.350 0.818 0.455 N 1.130 14 residues pruned to eliminate duplicates Z: 15 15.140 1.783 0.445 0.876 1.000 0.714 CB 1.141 16 residues pruned to eliminate duplicates Z: 7 5.447 1.698 0.278 0.784 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 7 2.220 1.580 0.203 0.614 0.667 0.333 CB 0.642 7 residues pruned to eliminate duplicates 7 1.973 1.316 0.111 0.661 0.833 0.500 O 0.569 ? Z: 7 13.421 1.987 0.704 0.833 1.000 0.833 CB 1.214 7 residues pruned to eliminate duplicates Z: 8 13.006 1.983 0.315 0.846 1.000 1.000 CB 1.401 8 residues pruned to eliminate duplicates Z: 9 11.661 1.639 0.768 0.865 1.000 0.875 CB 1.042 9 residues pruned to eliminate duplicates Z: 8 7.490 1.640 0.490 0.678 1.000 1.000 CB 0.984 Z: 20 17.082 1.898 0.578 0.697 1.000 0.789 CB 1.093 20 residues pruned to eliminate duplicates Z: 6 2.499 1.559 0.183 0.297 0.600 0.600 CA 1.267 Z: 11 7.041 1.675 0.210 0.867 0.800 0.600 CB 1.005 11 residues pruned to eliminate duplicates Z: 9 11.608 1.845 0.535 0.848 0.875 0.875 CB 1.228 9 residues pruned to eliminate duplicates 11 1.918 1.393 0.514 0.150 0.600 0.400 CB 0.738 ? Z: 6 8.998 1.850 0.439 0.849 1.000 0.800 CB 1.121 7 residues pruned to eliminate duplicates Z: 16 16.234 1.872 0.683 0.620 0.867 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 43 19.952 1.932 0.527 0.405 0.881 0.381 CB 1.308 43 residues pruned to eliminate duplicates Z: 9 9.296 1.759 0.352 0.757 0.875 0.750 CB 1.256 8 residues pruned to eliminate duplicates Z: 12 4.105 1.498 0.592 0.460 0.636 0.455 CB 0.850 12 residues pruned to eliminate duplicates Z: 21 14.659 1.818 0.509 0.579 0.900 0.600 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 11.537 1.870 0.521 0.522 0.818 0.636 CB 1.463 12 residues pruned to eliminate duplicates Z: 12 13.777 1.792 0.492 0.828 0.909 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 6 4.839 1.687 0.337 0.632 0.800 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 18 10.443 1.788 0.498 0.540 0.882 0.529 CB 1.031 17 residues pruned to eliminate duplicates Z: 6 4.183 1.641 0.235 0.580 0.800 0.800 O 1.068 Z: 12 5.036 1.608 0.211 0.287 0.909 0.364 CB 1.090 12 residues pruned to eliminate duplicates Z: 8 3.188 1.522 0.224 0.338 0.714 0.286 CB 1.081 Z: 9 6.606 1.482 0.811 0.803 0.750 0.750 CB 0.890 7 residues pruned to eliminate duplicates Z: 16 4.710 1.568 0.263 0.393 0.667 0.333 CB 1.031 Z: 13 11.437 1.824 0.871 0.636 0.833 0.750 CB 1.022 13 residues pruned to eliminate duplicates Z: 9 4.284 1.633 -0.062 0.661 0.875 0.625 CB 0.973 7 residues pruned to eliminate duplicates Z: 14 10.312 1.848 0.224 0.765 1.000 0.692 CB 0.999 15 residues pruned to eliminate duplicates Z: 9 5.058 1.632 0.425 0.420 1.000 0.875 CB 0.836 Z: 13 11.541 1.782 0.599 0.683 0.917 0.750 CB 1.078 14 residues pruned to eliminate duplicates Z: 21 13.543 1.736 0.459 0.628 0.900 0.700 CA 1.178 21 residues pruned to eliminate duplicates Z: 7 4.306 1.613 0.137 0.613 0.833 0.500 CB 1.034 8 1.393 1.580 -0.134 0.209 0.571 0.286 CB 0.950 ? Z: 6 5.380 1.443 0.902 0.393 0.800 0.600 N 1.227 Z: 11 4.615 1.547 0.597 0.310 0.700 0.500 CB 1.042 6 residues pruned to eliminate duplicates Z: 11 4.654 1.555 0.585 0.338 0.800 0.400 CB 0.891 11 residues pruned to eliminate duplicates Z: 15 14.126 1.678 0.648 0.688 0.857 0.500 CB 1.341 15 residues pruned to eliminate duplicates Z: 21 10.602 1.562 0.467 0.553 0.900 0.600 CB 1.092 17 residues pruned to eliminate duplicates Z: 10 3.775 1.553 0.494 0.300 0.778 0.333 CB 0.872 Z: 17 15.219 1.679 0.400 0.836 1.000 0.812 CB 1.212 17 residues pruned to eliminate duplicates Z: 11 9.653 1.754 0.806 0.715 0.900 0.400 CB 0.881 11 residues pruned to eliminate duplicates Z: 13 18.415 1.804 0.636 0.843 1.000 0.750 CA 1.341 13 residues pruned to eliminate duplicates Z: 7 4.397 1.780 -0.020 0.604 1.000 0.500 CB 0.933 Z: 6 2.152 1.403 0.282 0.537 0.800 0.600 CB 0.644 Z: 9 4.502 1.503 0.409 0.784 1.000 0.625 CB 0.586 9 residues pruned to eliminate duplicates Z: 17 16.339 1.667 0.822 0.771 0.875 0.562 CB 1.209 17 residues pruned to eliminate duplicates Z: 7 5.037 1.582 -0.068 0.703 1.000 0.500 CB 1.160 7 residues pruned to eliminate duplicates Z: 10 3.581 1.458 0.391 0.394 0.778 0.556 CB 0.846 10 residues pruned to eliminate duplicates 6 1.533 1.068 0.291 0.447 0.800 0.600 N 0.657 ? Z: 7 7.535 1.913 0.304 0.521 0.833 0.333 CB 1.449 7 residues pruned to eliminate duplicates Z: 7 3.283 1.518 1.000 0.248 0.667 0.333 CA 0.886 Z: 7 3.962 1.478 0.517 0.398 0.667 0.333 CA 1.204 7 1.026 1.604 -0.080 0.175 0.500 0.333 CB 0.840 ? Z: 12 7.920 1.774 0.539 0.426 0.818 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 20 9.258 1.850 0.355 0.305 0.789 0.579 CB 1.333 20 residues pruned to eliminate duplicates Z: 14 14.763 1.732 0.840 0.563 0.923 0.538 CB 1.310 Z: 11 6.654 1.817 0.332 0.402 0.900 0.600 CB 1.071 11 residues pruned to eliminate duplicates Z: 8 3.901 1.421 0.519 0.446 0.857 0.571 CB 0.842 Z: 6 4.607 1.458 0.083 0.581 1.000 0.600 C 1.206 6 1.398 1.367 0.157 0.484 0.600 0.400 N 0.670 ? 7 1.596 1.555 0.506 0.191 0.667 0.333 CB 0.604 ? Z: 8 7.373 1.714 0.429 0.427 1.000 0.571 CB 1.227 7 residues pruned to eliminate duplicates Z: 18 7.066 1.780 0.334 0.373 0.882 0.471 CB 0.937 18 residues pruned to eliminate duplicates Z: 11 7.655 1.664 0.417 0.780 0.900 0.800 CB 0.892 11 residues pruned to eliminate duplicates Z: 14 17.708 1.972 0.335 0.872 1.000 0.692 CB 1.359 15 residues pruned to eliminate duplicates Z: 23 16.225 1.820 0.505 0.665 0.955 0.500 CB 1.136 23 residues pruned to eliminate duplicates Z: 8 4.136 1.642 0.595 0.333 0.857 0.286 CB 0.836 Z: 8 8.708 1.660 0.647 0.888 1.000 1.000 CB 0.868 8 residues pruned to eliminate duplicates Z: 8 3.926 1.325 0.547 0.411 0.857 0.571 CB 0.927 Z: 7 2.056 1.243 0.372 0.247 0.667 0.333 O 0.989 Z: 12 3.708 1.444 0.449 0.275 0.727 0.364 CB 0.948 7 residues pruned to eliminate duplicates Z: 18 9.105 1.587 0.492 0.530 0.882 0.471 CB 1.026 24 residues pruned to eliminate duplicates 6 1.119 0.985 0.564 0.361 0.600 0.600 CB 0.629 ? Z: 21 6.820 1.570 0.479 0.223 0.700 0.300 O 1.298 Z: 10 9.672 1.959 0.345 0.620 0.889 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 14 10.983 1.763 0.576 0.493 1.000 0.692 CB 1.104 20 residues pruned to eliminate duplicates Z: 11 5.823 1.605 0.417 0.407 0.800 0.600 N 1.116 Z: 17 15.235 1.824 0.398 0.837 1.000 0.750 CB 1.117 17 residues pruned to eliminate duplicates Z: 15 5.825 1.679 0.347 0.272 0.714 0.571 CB 1.248 15 residues pruned to eliminate duplicates Z: 6 4.589 1.591 0.346 0.742 0.800 0.400 CB 0.964 Z: 8 7.280 1.761 0.538 0.584 1.000 0.714 CB 0.937 7 residues pruned to eliminate duplicates Z: 24 14.150 1.758 0.582 0.550 0.870 0.522 CB 1.162 22 residues pruned to eliminate duplicates Z: 14 4.601 1.666 0.506 0.305 0.692 0.308 CB 0.913 14 residues pruned to eliminate duplicates Z: 6 5.102 1.221 0.684 0.775 1.000 0.400 O 0.870 Z: 11 3.672 1.657 0.343 0.183 0.700 0.400 CB 1.091 10 residues pruned to eliminate duplicates Z: 21 9.669 1.701 0.537 0.518 0.850 0.600 CB 0.955 25 residues pruned to eliminate duplicates Z: 6 3.516 1.486 0.428 0.286 1.000 0.400 O 0.943 Z: 13 17.036 1.828 0.817 0.834 1.000 0.833 CB 1.110 13 residues pruned to eliminate duplicates Z: 6 6.689 1.351 1.552 0.831 0.800 0.800 CB 0.815 Z: 7 3.982 1.344 0.349 0.549 1.000 0.667 CB 0.855 Z: 11 10.649 1.845 0.090 0.883 0.900 0.900 CB 1.345 11 residues pruned to eliminate duplicates Z: 9 4.186 1.382 0.264 0.564 0.875 0.625 CB 0.910 6 residues pruned to eliminate duplicates Z: 15 23.400 2.009 1.110 0.678 0.929 0.786 CB 1.349 17 residues pruned to eliminate duplicates Z: 6 3.601 1.234 0.233 0.710 1.000 0.600 N 0.874 Z: 11 10.183 1.589 0.714 0.870 1.000 0.800 CB 0.863 11 residues pruned to eliminate duplicates Z: 7 15.079 1.809 0.860 0.854 1.000 1.000 CB 1.351 8 residues pruned to eliminate duplicates Z: 9 4.174 1.557 0.623 0.270 0.875 0.500 CB 0.866 9 residues pruned to eliminate duplicates Z: 8 3.566 1.544 0.568 0.252 0.571 0.286 N 1.296 Z: 11 4.318 1.531 0.547 0.404 0.800 0.600 CB 0.797 12 residues pruned to eliminate duplicates Z: 7 2.928 1.382 0.472 0.253 0.667 0.667 O 1.169 Z: 13 5.079 1.561 0.370 0.325 0.750 0.500 N 1.108 Z: 7 13.448 1.814 0.775 0.702 1.000 0.833 N 1.419 7 residues pruned to eliminate duplicates Z: 23 9.126 1.756 0.650 0.392 0.818 0.455 CB 0.920 23 residues pruned to eliminate duplicates Z: 7 5.869 1.692 0.080 0.803 1.000 0.667 CB 1.007 Z: 6 5.250 1.668 0.731 0.590 0.800 0.600 CB 0.933 Z: 39 15.027 1.856 0.507 0.322 0.816 0.553 CB 1.299 39 residues pruned to eliminate duplicates Z: 12 14.989 1.783 0.996 0.833 0.909 0.727 CB 1.048 12 residues pruned to eliminate duplicates Z: 6 3.074 1.359 0.890 0.464 0.600 0.400 CB 0.925 Z: 6 3.258 1.572 -0.015 0.541 0.800 0.800 CB 1.130 Z: 20 16.822 1.806 0.539 0.600 1.000 0.737 CB 1.263 20 residues pruned to eliminate duplicates Z: 18 11.738 1.769 0.610 0.505 0.882 0.647 CB 1.127 11 residues pruned to eliminate duplicates Z: 8 2.834 1.083 0.322 0.767 0.857 0.571 C 0.689 Z: 6 4.418 1.534 0.595 0.502 0.800 0.400 CB 1.007 6 residues pruned to eliminate duplicates Z: 17 5.317 1.496 0.553 0.384 0.750 0.438 CB 0.863 17 residues pruned to eliminate duplicates Z: 7 3.675 1.322 0.896 0.397 0.833 0.667 CB 0.802 Z: 12 4.586 1.557 0.539 0.206 0.727 0.364 O 1.124 Z: 14 11.834 1.776 0.367 0.875 0.923 0.923 CB 1.065 14 residues pruned to eliminate duplicates Z: 23 10.175 1.667 0.294 0.433 0.864 0.409 CB 1.249 24 residues pruned to eliminate duplicates Z: 16 13.901 1.706 0.379 0.828 1.000 0.867 CB 1.149 16 residues pruned to eliminate duplicates Z: 8 3.046 1.635 0.018 0.469 0.714 0.714 CB 0.999 8 residues pruned to eliminate duplicates 6 1.589 1.341 0.350 0.550 1.000 0.600 CB 0.374 ? Z: 8 3.819 1.722 -0.065 0.511 0.857 0.714 CB 1.034 Z: 7 4.529 1.449 0.392 0.487 0.833 0.667 CB 1.114 Z: 7 6.115 1.545 0.386 0.858 1.000 0.833 CB 0.859 Z: 7 2.635 1.609 -0.014 0.428 0.833 0.500 CB 0.877 Z: 17 11.015 1.592 0.689 0.408 0.938 0.625 CB 1.203 17 residues pruned to eliminate duplicates Z: 8 6.048 1.316 0.598 0.475 1.000 0.571 N 1.115 Z: 8 2.595 1.528 -0.070 0.351 1.000 0.571 CB 0.811 Z: 6 2.060 1.385 0.004 0.813 1.000 0.800 CB 0.505 Z: 6 4.046 1.297 0.374 0.420 1.000 0.600 CA 1.102 Z: 8 4.752 1.754 -0.298 0.824 1.000 1.000 CB 1.102 8 residues pruned to eliminate duplicates 6 1.824 1.181 0.142 0.303 1.000 0.800 CB 0.753 ? 7 1.633 1.357 0.475 0.241 0.667 0.500 C 0.674 ? Z: 7 4.964 1.699 -0.008 0.493 1.000 0.500 CB 1.211 7 residues pruned to eliminate duplicates 7 1.965 1.356 0.224 0.217 0.667 0.500 CB 1.012 ? Z: 7 8.831 1.600 0.557 0.843 0.833 0.833 CA 1.293 7 residues pruned to eliminate duplicates 6 1.575 1.508 -0.130 0.346 0.600 0.400 CB 1.058 ? Z: 14 4.012 1.436 0.371 0.257 0.769 0.615 CB 0.970 14 residues pruned to eliminate duplicates Z: 7 3.063 1.568 0.755 0.489 1.000 0.667 CB 0.459 7 residues pruned to eliminate duplicates Z: 17 5.828 1.785 0.097 0.335 0.875 0.375 CB 1.018 17 residues pruned to eliminate duplicates Z: 7 9.016 1.785 0.783 0.608 0.833 0.833 CB 1.253 7 residues pruned to eliminate duplicates Z: 6 2.349 1.176 0.282 0.434 1.000 0.400 CB 0.746 Z: 12 7.065 1.571 0.568 0.476 0.909 0.273 CB 0.976 Z: 10 5.102 1.599 0.338 0.409 0.889 0.333 CB 0.984 Z: 7 4.921 1.505 0.688 0.535 0.667 0.333 N 1.146 11 residues pruned to eliminate duplicates Z: 11 8.921 1.651 0.256 0.853 1.000 0.700 CB 1.005 11 residues pruned to eliminate duplicates Z: 8 4.214 1.666 0.007 0.689 0.857 0.714 CB 0.931 Z: 11 14.859 1.726 0.868 0.874 0.900 0.700 CB 1.178 16 residues pruned to eliminate duplicates Z: 8 3.033 1.366 0.364 0.310 0.714 0.429 N 1.063 Z: 7 5.937 1.631 0.446 0.515 0.833 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 12 9.870 2.004 0.020 0.744 1.000 0.636 CB 1.170 12 residues pruned to eliminate duplicates Z: 29 18.098 1.756 0.449 0.585 0.929 0.536 CB 1.334 29 residues pruned to eliminate duplicates Z: 13 9.364 1.531 0.706 0.527 1.000 0.500 CB 1.008 13 residues pruned to eliminate duplicates Z: 21 14.925 1.787 0.701 0.635 0.900 0.750 CB 1.074 22 residues pruned to eliminate duplicates Z: 8 6.766 1.672 0.481 0.532 0.714 0.714 CB 1.402 8 residues pruned to eliminate duplicates Z: 9 3.725 1.720 -0.009 0.397 0.750 0.500 CB 1.148 9 residues pruned to eliminate duplicates Z: 6 2.201 1.522 0.363 0.581 0.800 0.400 CB 0.548 Z: 6 2.828 1.397 0.620 0.372 0.800 0.400 N 0.801 Z: 15 10.946 1.705 0.484 0.439 1.000 0.571 CB 1.231 15 residues pruned to eliminate duplicates Z: 9 5.563 1.543 0.813 0.315 0.750 0.500 CB 1.150 Z: 22 15.914 1.763 0.630 0.359 0.952 0.619 CB 1.477 21 residues pruned to eliminate duplicates Z: 14 13.366 1.758 0.445 0.895 1.000 0.923 CB 1.046 14 residues pruned to eliminate duplicates Z: 18 4.560 1.531 0.759 0.167 0.706 0.529 CB 0.872 Z: 8 4.672 1.699 0.558 0.826 0.857 0.714 CB 0.587 Z: 15 8.717 1.681 0.319 0.761 0.857 0.571 CB 0.972 15 residues pruned to eliminate duplicates Z: 13 8.420 1.851 0.319 0.378 0.833 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 11 3.557 1.467 0.494 0.119 0.800 0.400 CB 1.036 Z: 7 6.052 1.270 0.634 0.859 1.000 1.000 N 0.876 Z: 9 10.364 1.772 0.374 0.849 1.000 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 12 2.717 1.358 0.442 0.132 0.636 0.455 N 1.039 Z: 12 6.515 1.875 0.242 0.316 0.909 0.545 CB 1.136 12 residues pruned to eliminate duplicates Z: 6 2.645 1.431 0.475 0.496 1.000 0.800 CB 0.562 Z: 6 4.511 1.435 0.295 0.422 1.000 0.600 N 1.178 6 residues pruned to eliminate duplicates Z: 16 11.551 1.872 0.547 0.395 0.867 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 9 9.667 1.719 0.448 0.713 1.000 0.500 CB 1.131 9 residues pruned to eliminate duplicates 8 1.627 1.373 0.070 0.211 0.714 0.571 CB 0.824 ? Z: 9 3.643 1.654 0.163 0.227 0.750 0.125 CB 1.229 Z: 6 2.914 1.294 0.257 0.637 0.800 0.400 CB 0.881 Z: 8 2.463 1.526 0.222 0.455 0.857 0.429 CB 0.610 5 residues pruned to eliminate duplicates Z: 13 9.734 1.712 -0.021 0.893 1.000 0.917 CB 1.203 13 residues pruned to eliminate duplicates Z: 7 9.824 1.601 1.041 0.486 1.000 0.500 O 1.245 Z: 6 2.901 1.734 -0.326 0.618 1.000 1.000 CB 0.993 Z: 7 3.914 1.540 0.045 0.550 0.833 0.500 CB 1.134 Z: 12 6.393 1.538 0.553 0.523 0.909 0.455 CB 0.868 12 residues pruned to eliminate duplicates Z: 6 4.841 1.507 0.685 0.555 0.800 0.400 N 1.010 14 residues pruned to eliminate duplicates Z: 6 2.029 1.577 0.633 0.100 0.600 0.200 CB 0.979 Z: 8 9.085 1.735 0.340 0.813 0.857 0.429 CB 1.312 8 residues pruned to eliminate duplicates Z: 11 10.734 1.686 0.709 0.730 0.900 0.700 CB 1.063 11 residues pruned to eliminate duplicates Z: 15 11.707 1.660 0.451 0.798 0.929 0.643 CB 1.077 15 residues pruned to eliminate duplicates 6 1.556 1.137 0.560 0.341 0.800 0.400 N 0.583 ? Z: 7 6.968 1.581 0.622 0.480 1.000 0.500 N 1.132 7 residues pruned to eliminate duplicates Z: 9 13.553 1.690 1.075 0.813 1.000 0.750 CB 1.041 8 residues pruned to eliminate duplicates Z: 10 9.867 1.454 0.611 0.787 1.000 1.000 CB 1.091 10 residues pruned to eliminate duplicates Z: 6 2.823 1.375 0.665 0.491 0.800 0.800 CB 0.695 6 residues pruned to eliminate duplicates Z: 8 4.508 1.712 0.324 0.883 1.000 1.000 CB 0.544 8 residues pruned to eliminate duplicates Z: 13 7.006 1.507 0.585 0.275 0.917 0.333 CB 1.193 10 residues pruned to eliminate duplicates Z: 7 2.981 1.529 0.283 0.304 0.833 0.500 CB 0.926 7 residues pruned to eliminate duplicates Z: 14 12.766 1.791 0.761 0.733 0.846 0.615 CB 1.076 14 residues pruned to eliminate duplicates Z: 7 8.381 1.892 0.375 0.577 0.833 0.667 CB 1.465 7 residues pruned to eliminate duplicates Z: 10 6.368 1.669 0.343 0.487 0.889 0.444 CB 1.079 10 residues pruned to eliminate duplicates Z: 10 4.309 1.692 0.280 0.282 0.778 0.556 CB 1.090 12 residues pruned to eliminate duplicates 7 1.976 1.238 0.667 0.375 0.500 0.500 CB 0.894 ? Z: 11 5.574 1.429 0.417 0.852 0.700 0.700 CB 0.920 9 residues pruned to eliminate duplicates Z: 7 4.647 1.291 0.058 0.855 1.000 1.000 N 1.026 6 residues pruned to eliminate duplicates Z: 8 2.571 1.553 0.128 0.643 0.857 0.714 CB 0.566 Z: 25 11.886 1.620 0.315 0.557 0.917 0.667 CB 1.175 25 residues pruned to eliminate duplicates Z: 6 2.431 1.722 0.334 0.398 0.600 0.400 CB 0.878 Z: 22 6.796 1.598 0.674 0.311 0.810 0.333 CB 0.845 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 8.820 1.671 0.787 0.325 0.706 0.412 CB 1.231 11 residues pruned to eliminate duplicates Z: 9 14.630 1.763 0.877 0.828 1.000 1.000 CB 1.177 9 residues pruned to eliminate duplicates Z: 8 10.676 1.851 1.117 0.398 0.857 0.571 CB 1.338 8 residues pruned to eliminate duplicates Z: 11 9.498 1.934 1.132 0.299 0.800 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 8 6.488 1.720 0.475 0.606 0.857 0.429 CB 1.020 8 residues pruned to eliminate duplicates Z: 6 5.028 1.712 0.577 0.487 1.000 0.600 CB 0.845 6 residues pruned to eliminate duplicates Z: 12 6.376 1.612 0.805 0.530 0.636 0.364 CB 1.008 12 residues pruned to eliminate duplicates Z: 12 7.204 1.716 0.490 0.771 1.000 0.727 CB 0.668 12 residues pruned to eliminate duplicates Z: 11 9.647 1.735 1.122 0.844 0.900 0.500 CB 0.685 10 residues pruned to eliminate duplicates Z: 13 13.979 1.793 0.839 0.771 0.917 0.500 CB 1.051 13 residues pruned to eliminate duplicates Z: 11 14.818 1.829 0.620 0.877 0.900 0.500 CB 1.276 11 residues pruned to eliminate duplicates Z: 16 7.762 1.500 0.551 0.584 0.800 0.467 CB 0.993 16 residues pruned to eliminate duplicates Z: 24 9.726 1.521 0.780 0.406 0.826 0.522 CB 1.000 14 residues pruned to eliminate duplicates Z: 8 6.357 1.496 0.612 0.636 0.857 0.714 N 1.023 8 residues pruned to eliminate duplicates Z: 8 4.833 1.665 0.536 0.441 0.714 0.571 N 1.062 8 residues pruned to eliminate duplicates Z: 9 8.169 1.643 0.796 0.565 1.000 0.625 CB 0.919 9 residues pruned to eliminate duplicates Z: 8 8.718 1.541 0.679 0.824 1.000 0.857 N 0.961 8 residues pruned to eliminate duplicates Z: 12 9.467 1.676 0.662 0.526 0.909 0.545 CB 1.099 12 residues pruned to eliminate duplicates Z: 8 6.655 1.590 0.516 0.634 0.857 0.429 N 1.074 8 residues pruned to eliminate duplicates Z: 9 4.369 1.617 0.048 0.498 1.000 0.625 CB 0.914 6 residues pruned to eliminate duplicates 6 1.849 1.236 0.270 0.402 1.000 0.200 CB 0.584 ? Z: 6 4.036 1.426 0.578 0.477 1.000 0.800 N 0.821 Z: 12 7.651 1.828 0.185 0.418 0.909 0.545 CB 1.276 36 residues pruned to eliminate duplicates Z: 9 7.496 1.326 0.707 0.625 0.875 0.500 O 1.190 Z: 8 7.234 1.477 0.680 0.597 0.857 0.571 O 1.172 15 residues pruned to eliminate duplicates Z: 16 11.848 1.682 0.570 0.836 1.000 0.600 CB 0.867 16 residues pruned to eliminate duplicates Z: 16 11.628 1.689 0.170 0.756 1.000 0.667 CB 1.210 15 residues pruned to eliminate duplicates Z: 15 14.868 1.775 0.513 0.891 0.929 0.929 CB 1.145 16 residues pruned to eliminate duplicates Z: 16 12.218 1.676 0.494 0.870 0.933 0.667 CB 0.985 16 residues pruned to eliminate duplicates Z: 18 10.740 1.676 0.460 0.663 0.882 0.647 CB 1.038 18 residues pruned to eliminate duplicates Z: 17 11.956 1.682 0.323 0.761 0.938 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 15 12.424 1.735 0.386 0.749 1.000 0.643 CB 1.105 15 residues pruned to eliminate duplicates Z: 19 12.008 1.696 0.452 0.678 0.833 0.722 CB 1.171 19 residues pruned to eliminate duplicates Z: 18 11.812 1.662 0.343 0.740 0.941 0.765 CB 1.099 16 residues pruned to eliminate duplicates Z: 14 13.726 1.810 0.495 0.828 1.000 0.846 CB 1.059 14 residues pruned to eliminate duplicates Z: 13 12.973 1.827 0.429 0.882 1.000 0.833 CB 1.038 16 residues pruned to eliminate duplicates Z: 13 11.240 1.837 0.408 0.849 1.000 0.750 CB 0.930 13 residues pruned to eliminate duplicates Z: 15 7.969 1.783 0.081 0.694 0.929 0.571 CB 0.997 15 residues pruned to eliminate duplicates Z: 15 13.628 1.790 0.430 0.845 0.857 0.571 CB 1.234 14 residues pruned to eliminate duplicates Z: 18 11.234 1.551 0.544 0.681 0.824 0.706 CB 1.171 18 residues pruned to eliminate duplicates Z: 11 12.003 1.803 0.459 0.649 0.900 0.600 CB 1.396 11 residues pruned to eliminate duplicates Z: 13 11.612 1.708 0.529 0.639 0.917 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 9 8.800 1.749 0.521 0.669 0.875 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 10 8.038 1.819 0.336 0.594 0.889 0.444 CB 1.133 10 residues pruned to eliminate duplicates Z: 13 21.097 1.957 0.504 0.888 1.000 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 9 7.843 1.638 0.923 0.565 0.750 0.500 CB 1.102 9 residues pruned to eliminate duplicates Z: 9 10.935 1.779 1.051 0.503 0.750 0.500 N 1.409 9 residues pruned to eliminate duplicates Z: 9 10.844 1.863 1.080 0.781 0.750 0.375 CB 1.029 9 residues pruned to eliminate duplicates Z: 11 15.257 1.907 0.829 0.770 0.900 0.400 CB 1.210 11 residues pruned to eliminate duplicates Z: 12 20.572 1.929 0.934 0.846 1.000 0.727 CB 1.235 12 residues pruned to eliminate duplicates Z: 14 12.131 1.817 0.923 0.639 0.846 0.462 CB 0.999 14 residues pruned to eliminate duplicates Z: 15 15.786 1.800 0.833 0.681 1.000 0.643 CB 1.083 15 residues pruned to eliminate duplicates Z: 13 17.937 1.815 0.742 0.728 1.000 0.750 CB 1.333 13 residues pruned to eliminate duplicates Z: 18 17.667 1.766 0.699 0.808 0.941 0.647 CB 1.160 18 residues pruned to eliminate duplicates Z: 14 9.995 1.671 0.530 0.614 0.769 0.615 CB 1.265 14 residues pruned to eliminate duplicates Z: 24 13.661 1.821 0.419 0.637 0.913 0.391 CB 1.061 24 residues pruned to eliminate duplicates Z: 7 5.112 1.797 0.538 0.432 0.833 0.500 CB 0.972 Z: 6 6.043 1.561 0.646 0.461 1.000 0.600 CB 1.095 6 residues pruned to eliminate duplicates Z: 8 8.974 2.000 0.794 0.391 0.857 0.571 CB 1.237 13 residues pruned to eliminate duplicates Z: 8 2.774 1.673 0.267 0.444 0.714 0.571 CB 0.733 8 residues pruned to eliminate duplicates Z: 13 8.363 1.766 0.523 0.323 0.917 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 12 13.837 1.910 0.574 0.569 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 7 2.840 1.828 0.419 0.083 0.833 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 13 6.426 1.867 0.383 0.290 0.750 0.583 CB 1.212 13 residues pruned to eliminate duplicates Z: 13 9.066 1.890 0.421 0.333 0.917 0.667 CB 1.276 13 residues pruned to eliminate duplicates Z: 12 13.077 1.914 0.538 0.524 1.000 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 13 11.365 1.832 0.399 0.583 0.917 0.500 CB 1.288 13 residues pruned to eliminate duplicates Z: 14 8.641 1.658 0.753 0.486 0.846 0.615 CB 0.988 14 residues pruned to eliminate duplicates Z: 13 13.766 1.861 0.510 0.564 1.000 0.583 CB 1.329 13 residues pruned to eliminate duplicates Z: 13 10.516 1.794 0.428 0.575 0.917 0.750 CB 1.202 13 residues pruned to eliminate duplicates Z: 15 11.081 1.793 0.527 0.496 0.857 0.571 CB 1.267 15 residues pruned to eliminate duplicates Z: 14 10.103 1.739 0.545 0.517 0.846 0.615 CB 1.212 14 residues pruned to eliminate duplicates Z: 15 12.607 1.776 0.573 0.466 1.000 0.500 CB 1.248 15 residues pruned to eliminate duplicates Z: 12 6.941 1.602 0.368 0.679 0.818 0.455 CB 0.991 10 residues pruned to eliminate duplicates Z: 9 11.281 1.701 0.439 0.829 1.000 0.750 CB 1.226 11 residues pruned to eliminate duplicates Z: 10 10.578 1.672 0.559 0.826 0.889 0.778 CB 1.148 10 residues pruned to eliminate duplicates Z: 9 10.949 1.618 0.534 0.857 0.875 0.875 CB 1.313 10 residues pruned to eliminate duplicates Z: 10 13.742 1.683 0.557 0.849 1.000 0.778 CB 1.295 9 residues pruned to eliminate duplicates Z: 12 13.234 1.596 0.592 0.827 0.909 0.727 O 1.301 10 residues pruned to eliminate duplicates Z: 11 13.328 1.659 0.691 0.880 1.000 0.900 CB 1.089 12 residues pruned to eliminate duplicates Z: 11 14.016 1.661 0.851 0.852 0.900 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 11 15.731 1.683 0.825 0.862 1.000 0.900 CB 1.189 11 residues pruned to eliminate duplicates Z: 6 4.549 1.671 0.467 0.711 0.800 0.400 CB 0.857 Z: 9 5.469 1.505 0.696 0.664 0.875 0.500 CB 0.744 6 residues pruned to eliminate duplicates Z: 10 4.682 1.363 0.632 0.761 0.778 0.556 CB 0.715 7 residues pruned to eliminate duplicates Z: 7 4.750 1.537 0.546 0.780 1.000 0.833 CB 0.637 18 residues pruned to eliminate duplicates Z: 12 11.837 1.737 0.790 0.840 1.000 0.727 CB 0.857 12 residues pruned to eliminate duplicates Z: 8 4.970 1.594 0.270 0.521 0.714 0.429 CA 1.273 8 residues pruned to eliminate duplicates Z: 12 12.287 1.620 1.060 0.697 0.818 0.545 CB 1.134 12 residues pruned to eliminate duplicates Z: 11 15.593 1.765 0.868 0.779 0.900 0.700 CB 1.299 11 residues pruned to eliminate duplicates Z: 11 13.000 1.764 0.719 0.697 0.800 0.700 CB 1.415 11 residues pruned to eliminate duplicates Z: 16 13.545 1.723 0.856 0.610 0.867 0.467 CB 1.136 35 residues pruned to eliminate duplicates Z: 11 17.870 1.770 0.844 0.866 1.000 0.900 CB 1.267 11 residues pruned to eliminate duplicates Z: 14 9.307 1.688 0.664 0.493 0.846 0.308 CB 1.094 14 residues pruned to eliminate duplicates Z: 12 6.059 1.750 0.468 0.423 0.818 0.364 CB 0.941 12 residues pruned to eliminate duplicates Z: 16 15.687 1.752 0.834 0.661 0.933 0.467 CB 1.162 25 residues pruned to eliminate duplicates Z: 14 14.629 1.777 0.604 0.669 1.000 0.923 CB 1.217 14 residues pruned to eliminate duplicates Z: 18 8.758 1.610 0.554 0.577 0.941 0.412 CB 0.838 13 residues pruned to eliminate duplicates Z: 6 4.372 1.420 0.543 0.457 1.000 0.200 CA 0.932 6 residues pruned to eliminate duplicates Z: 21 8.033 1.581 0.568 0.502 0.850 0.250 CB 0.850 21 residues pruned to eliminate duplicates Z: 6 2.752 1.765 0.189 0.280 1.000 0.600 CB 0.752 6 residues pruned to eliminate duplicates Z: 12 5.328 1.655 0.181 0.322 0.818 0.545 CB 1.222 8 residues pruned to eliminate duplicates Z: 8 6.127 1.473 0.851 0.520 0.714 0.286 CB 1.166 8 residues pruned to eliminate duplicates Z: 6 3.718 1.542 0.779 0.572 0.600 0.600 CB 0.942 6 residues pruned to eliminate duplicates Z: 7 4.785 1.593 0.572 0.415 0.833 0.333 CB 1.023 7 residues pruned to eliminate duplicates Z: 7 3.790 1.634 0.113 0.516 0.833 0.500 CB 1.005 7 residues pruned to eliminate duplicates Z: 11 3.546 1.549 0.223 0.371 0.800 0.600 CB 0.850 11 residues pruned to eliminate duplicates Z: 10 3.867 1.623 0.339 0.432 0.667 0.333 CB 0.955 10 residues pruned to eliminate duplicates Z: 9 2.864 1.645 0.316 0.291 0.625 0.250 CB 0.946 9 residues pruned to eliminate duplicates Z: 10 2.501 1.450 0.261 0.288 0.667 0.222 CB 0.867 6 1.809 1.406 0.304 0.348 0.600 0.200 CB 0.868 ? Z: 6 3.769 1.552 0.428 0.426 0.800 0.400 CB 1.026 Z: 7 5.006 1.565 0.112 0.554 1.000 0.833 CB 1.114 5 residues pruned to eliminate duplicates Z: 8 3.448 1.403 0.457 0.194 0.857 0.714 O 1.073 4 residues pruned to eliminate duplicates Z: 15 22.818 2.065 0.487 0.816 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 27 25.250 2.080 0.589 0.567 0.923 0.615 CB 1.521 27 residues pruned to eliminate duplicates Z: 30 22.238 2.009 0.584 0.469 0.966 0.517 CB 1.386 30 residues pruned to eliminate duplicates Z: 16 22.259 1.923 0.780 0.774 0.933 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 30 19.477 1.971 0.543 0.520 0.966 0.552 CB 1.208 30 residues pruned to eliminate duplicates Z: 29 17.456 1.940 0.538 0.475 0.857 0.393 CB 1.323 39 residues pruned to eliminate duplicates Z: 20 20.508 2.089 0.804 0.587 0.895 0.474 CB 1.284 20 residues pruned to eliminate duplicates Z: 30 19.324 1.987 0.564 0.493 0.897 0.552 CB 1.297 30 residues pruned to eliminate duplicates Z: 27 20.761 2.023 0.601 0.465 0.962 0.538 CB 1.355 27 residues pruned to eliminate duplicates Z: 14 25.027 1.995 0.851 0.850 0.923 0.846 CB 1.509 14 residues pruned to eliminate duplicates Z: 26 15.624 1.964 0.810 0.488 0.880 0.360 CB 1.012 26 residues pruned to eliminate duplicates Z: 26 22.712 2.023 0.881 0.509 0.840 0.440 CB 1.409 26 residues pruned to eliminate duplicates Z: 24 21.151 1.997 0.799 0.580 0.913 0.435 CB 1.244 24 residues pruned to eliminate duplicates Z: 27 22.317 1.939 0.868 0.527 0.923 0.500 CB 1.274 27 residues pruned to eliminate duplicates Z: 28 17.488 1.948 0.797 0.517 0.815 0.407 CB 1.160 28 residues pruned to eliminate duplicates Z: 7 4.488 1.732 -0.155 0.521 1.000 0.333 N 1.225 6 residues pruned to eliminate duplicates Z: 6 4.843 1.877 0.215 0.328 0.800 0.400 CA 1.433 Z: 8 8.808 1.840 0.203 0.538 1.000 0.857 CB 1.449 6 residues pruned to eliminate duplicates Z: 27 18.457 1.913 0.660 0.559 0.885 0.538 CB 1.217 35 residues pruned to eliminate duplicates Z: 29 23.376 2.040 0.693 0.554 0.929 0.500 CB 1.306 29 residues pruned to eliminate duplicates Z: 27 20.115 2.051 0.683 0.607 0.846 0.577 CB 1.221 27 residues pruned to eliminate duplicates Z: 18 6.350 1.777 0.339 0.316 0.706 0.412 CB 1.124 18 residues pruned to eliminate duplicates Z: 21 12.840 1.932 0.558 0.374 0.850 0.600 CB 1.283 21 residues pruned to eliminate duplicates Z: 28 19.389 2.032 0.596 0.527 0.889 0.519 CB 1.260 28 residues pruned to eliminate duplicates 6 1.339 1.470 0.221 0.300 0.600 0.400 CB 0.695 ? Z: 6 2.823 1.675 -0.121 0.453 0.800 0.400 CB 1.124 6 residues pruned to eliminate duplicates Z: 49 23.482 1.933 0.615 0.463 0.833 0.479 CB 1.353 49 residues pruned to eliminate duplicates Z: 20 14.550 1.975 0.305 0.446 1.000 0.684 CB 1.368 20 residues pruned to eliminate duplicates Z: 48 24.139 2.020 0.526 0.452 0.851 0.447 CB 1.409 48 residues pruned to eliminate duplicates Z: 27 15.897 1.946 0.582 0.340 0.846 0.462 CB 1.425 27 residues pruned to eliminate duplicates Z: 21 14.016 1.979 0.297 0.423 0.900 0.400 CB 1.469 21 residues pruned to eliminate duplicates Z: 34 14.919 1.889 0.453 0.382 0.818 0.364 CB 1.311 34 residues pruned to eliminate duplicates Z: 23 15.540 1.950 0.374 0.393 0.955 0.455 N 1.450 23 residues pruned to eliminate duplicates Z: 27 14.482 1.975 0.345 0.438 0.885 0.577 CB 1.289 27 residues pruned to eliminate duplicates Z: 25 15.763 1.971 0.415 0.430 0.917 0.583 CB 1.354 25 residues pruned to eliminate duplicates Z: 39 17.721 1.881 0.407 0.455 0.868 0.605 CB 1.309 39 residues pruned to eliminate duplicates Z: 28 16.033 1.917 0.394 0.409 0.889 0.593 CB 1.430 28 residues pruned to eliminate duplicates Z: 23 16.471 1.978 0.395 0.420 0.955 0.591 CB 1.449 23 residues pruned to eliminate duplicates Z: 30 18.803 1.970 0.447 0.468 0.897 0.483 CB 1.411 30 residues pruned to eliminate duplicates Z: 22 14.778 1.985 0.475 0.413 0.857 0.524 CB 1.407 22 residues pruned to eliminate duplicates Z: 25 17.627 1.981 0.476 0.387 0.917 0.625 CB 1.514 25 residues pruned to eliminate duplicates Z: 32 19.371 1.936 0.564 0.456 0.903 0.516 CB 1.331 32 residues pruned to eliminate duplicates Z: 32 17.691 1.872 0.680 0.435 0.839 0.613 CB 1.289 32 residues pruned to eliminate duplicates Z: 40 15.894 1.885 0.372 0.408 0.846 0.590 CB 1.281 40 residues pruned to eliminate duplicates Z: 57 25.443 1.912 0.693 0.485 0.857 0.429 CB 1.244 57 residues pruned to eliminate duplicates Z: 35 20.099 1.928 0.499 0.456 0.912 0.412 CB 1.368 35 residues pruned to eliminate duplicates Z: 35 20.447 1.942 0.581 0.414 0.912 0.529 CB 1.370 44 residues pruned to eliminate duplicates Z: 8 12.079 1.818 0.742 0.748 1.000 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 33 22.392 1.931 0.609 0.467 0.938 0.531 CB 1.405 33 residues pruned to eliminate duplicates Z: 32 19.139 1.928 0.599 0.461 0.839 0.387 CB 1.383 32 residues pruned to eliminate duplicates Z: 11 4.601 1.738 0.219 0.426 0.900 0.500 CB 0.823 11 residues pruned to eliminate duplicates Z: 19 11.423 1.766 0.404 0.554 0.889 0.722 CB 1.159 19 residues pruned to eliminate duplicates Z: 10 7.158 1.836 0.456 0.411 0.889 0.667 CB 1.102 10 residues pruned to eliminate duplicates Z: 12 5.887 1.707 0.514 0.380 0.818 0.545 CB 0.954 12 residues pruned to eliminate duplicates Z: 45 20.223 1.860 0.650 0.436 0.864 0.500 CB 1.230 45 residues pruned to eliminate duplicates Z: 9 6.483 1.819 0.392 0.518 1.000 0.750 CB 0.889 9 residues pruned to eliminate duplicates Z: 8 9.337 1.772 0.414 0.797 1.000 0.714 CB 1.086 8 residues pruned to eliminate duplicates Z: 26 8.289 1.628 0.653 0.349 0.800 0.440 CB 0.907 25 residues pruned to eliminate duplicates Z: 8 13.619 1.728 0.633 0.862 1.000 0.714 CB 1.338 8 residues pruned to eliminate duplicates Z: 9 10.911 1.709 0.508 0.842 1.000 0.625 CB 1.116 9 residues pruned to eliminate duplicates Z: 9 9.877 1.669 0.545 0.814 0.875 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 9 9.163 1.694 0.424 0.720 0.875 0.625 CB 1.257 9 residues pruned to eliminate duplicates Z: 10 3.998 1.476 0.373 0.418 0.778 0.333 CB 0.921 10 residues pruned to eliminate duplicates Z: 6 5.116 1.545 0.695 0.466 1.000 0.200 CB 0.904 Z: 6 3.082 1.447 0.700 0.418 0.800 0.600 CB 0.762 6 residues pruned to eliminate duplicates Z: 9 3.317 1.470 0.455 0.410 0.625 0.125 CB 0.964 9 residues pruned to eliminate duplicates Z: 20 9.323 1.773 0.387 0.362 0.789 0.368 CB 1.278 20 residues pruned to eliminate duplicates Z: 19 13.248 1.842 0.505 0.347 0.889 0.389 CB 1.495 18 residues pruned to eliminate duplicates Z: 10 9.942 1.757 0.563 0.591 0.778 0.556 CB 1.422 10 residues pruned to eliminate duplicates Z: 18 12.766 1.812 0.572 0.338 0.824 0.412 CB 1.576 17 residues pruned to eliminate duplicates Z: 8 10.408 1.885 0.405 0.598 0.857 0.714 O 1.578 8 residues pruned to eliminate duplicates Z: 10 6.505 1.907 0.203 0.383 0.667 0.333 CB 1.606 10 residues pruned to eliminate duplicates Z: 13 10.670 1.836 0.568 0.505 0.917 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 25 10.449 1.728 0.584 0.301 0.792 0.458 CB 1.228 25 residues pruned to eliminate duplicates Z: 32 18.294 1.860 0.543 0.616 0.839 0.484 CB 1.223 33 residues pruned to eliminate duplicates Z: 28 11.354 1.714 0.452 0.382 0.815 0.370 CB 1.222 28 residues pruned to eliminate duplicates Z: 15 10.855 1.873 0.498 0.391 0.929 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 25 18.273 1.851 0.572 0.560 0.833 0.500 CB 1.450 25 residues pruned to eliminate duplicates Z: 10 6.272 1.680 0.696 0.307 1.000 0.556 CB 0.910 10 residues pruned to eliminate duplicates Z: 17 13.207 1.851 0.505 0.387 1.000 0.562 CB 1.336 17 residues pruned to eliminate duplicates Z: 32 17.678 1.801 0.384 0.499 0.871 0.645 CB 1.464 32 residues pruned to eliminate duplicates Z: 15 14.833 1.810 0.637 0.529 0.929 0.786 CB 1.400 15 residues pruned to eliminate duplicates Z: 25 27.175 1.886 0.707 0.628 0.958 0.625 CB 1.594 25 residues pruned to eliminate duplicates Z: 27 16.760 1.811 0.480 0.528 0.808 0.615 CB 1.477 27 residues pruned to eliminate duplicates Z: 13 15.316 1.965 0.451 0.673 0.833 0.667 CA 1.588 13 residues pruned to eliminate duplicates Z: 11 16.643 1.935 0.689 0.719 0.800 0.700 CA 1.651 11 residues pruned to eliminate duplicates Z: 17 15.488 1.927 0.407 0.671 0.812 0.750 CB 1.501 17 residues pruned to eliminate duplicates Z: 11 15.924 1.872 0.635 0.786 1.000 0.900 CA 1.279 11 residues pruned to eliminate duplicates Z: 6 14.321 1.989 0.602 0.822 1.000 0.800 CA 1.521 6 residues pruned to eliminate duplicates Z: 38 21.737 1.926 0.463 0.464 0.946 0.514 CB 1.391 38 residues pruned to eliminate duplicates Z: 10 9.553 1.834 0.240 0.741 1.000 0.889 CA 1.128 10 residues pruned to eliminate duplicates Z: 21 22.533 1.950 0.644 0.566 1.000 0.550 CB 1.474 21 residues pruned to eliminate duplicates Z: 14 17.382 1.908 0.341 0.790 1.000 0.615 CA 1.461 14 residues pruned to eliminate duplicates Z: 12 12.616 1.949 0.474 0.689 0.818 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 30 20.718 1.967 0.467 0.553 0.897 0.517 CB 1.412 30 residues pruned to eliminate duplicates Z: 29 15.639 1.910 0.372 0.471 0.893 0.571 CB 1.302 29 residues pruned to eliminate duplicates Z: 29 19.779 1.926 0.446 0.516 1.000 0.571 CB 1.321 29 residues pruned to eliminate duplicates Z: 31 17.913 1.912 0.562 0.445 0.833 0.533 CB 1.390 31 residues pruned to eliminate duplicates Z: 31 18.368 1.865 0.542 0.491 0.867 0.467 CB 1.359 31 residues pruned to eliminate duplicates Z: 18 12.235 1.790 0.527 0.484 0.824 0.588 CB 1.340 18 residues pruned to eliminate duplicates Z: 34 17.598 1.828 0.588 0.403 0.818 0.424 CB 1.428 34 residues pruned to eliminate duplicates Z: 46 23.142 1.884 0.656 0.444 0.889 0.533 CB 1.319 38 residues pruned to eliminate duplicates Z: 6 4.910 1.649 0.523 0.368 0.800 0.400 CB 1.258 6 residues pruned to eliminate duplicates Z: 25 16.255 1.980 0.491 0.448 0.875 0.458 CB 1.355 25 residues pruned to eliminate duplicates Z: 39 23.156 1.870 0.562 0.534 0.868 0.658 CB 1.432 39 residues pruned to eliminate duplicates Z: 32 17.663 1.940 0.564 0.476 0.806 0.419 CB 1.328 32 residues pruned to eliminate duplicates Z: 45 18.130 1.844 0.498 0.411 0.841 0.409 CB 1.292 45 residues pruned to eliminate duplicates Z: 34 21.112 1.937 0.574 0.509 0.848 0.576 CB 1.409 34 residues pruned to eliminate duplicates Z: 16 9.762 1.906 0.486 0.327 0.867 0.467 CB 1.242 16 residues pruned to eliminate duplicates Z: 48 22.427 1.867 0.681 0.445 0.872 0.489 CB 1.263 71 residues pruned to eliminate duplicates Z: 7 3.397 1.431 0.015 0.513 1.000 0.500 CB 0.942 7 residues pruned to eliminate duplicates Z: 21 12.297 1.900 0.460 0.389 0.900 0.400 CB 1.240 21 residues pruned to eliminate duplicates Z: 13 10.465 1.964 0.537 0.410 0.917 0.500 CB 1.199 13 residues pruned to eliminate duplicates Z: 6 4.099 1.570 0.018 0.485 1.000 0.200 CB 1.164 6 residues pruned to eliminate duplicates Z: 6 3.605 1.726 0.076 0.472 0.800 0.400 CA 1.116 6 residues pruned to eliminate duplicates Z: 11 8.960 1.727 0.275 0.618 0.900 0.400 CB 1.280 11 residues pruned to eliminate duplicates Z: 16 9.271 1.605 0.357 0.497 0.933 0.467 CB 1.181 10 residues pruned to eliminate duplicates Z: 11 11.485 1.580 0.438 0.797 1.000 0.400 CB 1.232 11 residues pruned to eliminate duplicates Z: 16 12.132 1.782 0.496 0.498 1.000 0.667 CB 1.178 19 residues pruned to eliminate duplicates Z: 11 11.558 1.514 0.526 0.754 1.000 0.800 CA 1.262 11 residues pruned to eliminate duplicates Z: 11 9.229 1.951 0.417 0.436 0.900 0.700 CB 1.254 11 residues pruned to eliminate duplicates Z: 16 8.343 1.729 0.677 0.300 0.800 0.533 CB 1.161 16 residues pruned to eliminate duplicates Z: 16 8.416 1.718 0.501 0.403 0.933 0.600 CB 0.999 16 residues pruned to eliminate duplicates Z: 12 9.368 1.807 0.484 0.429 0.909 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 12 10.782 1.817 0.712 0.406 0.909 0.455 CB 1.269 12 residues pruned to eliminate duplicates Z: 14 6.883 1.650 0.554 0.364 0.846 0.385 CB 1.019 14 residues pruned to eliminate duplicates Z: 13 5.687 1.831 0.122 0.367 0.833 0.333 CB 1.107 13 residues pruned to eliminate duplicates Z: 14 4.543 1.562 0.452 0.339 0.615 0.308 CB 1.077 14 residues pruned to eliminate duplicates Z: 17 7.349 1.603 0.203 0.554 0.875 0.375 CB 1.033 12 residues pruned to eliminate duplicates Z: 15 7.364 1.572 0.412 0.605 0.857 0.500 CB 0.936 Z: 10 9.811 1.603 0.433 0.784 0.889 0.889 O 1.247 13 residues pruned to eliminate duplicates Z: 7 4.295 1.347 0.189 0.770 0.833 0.667 O 1.034 7 residues pruned to eliminate duplicates Z: 19 9.498 1.584 0.470 0.426 0.833 0.556 CB 1.246 30 residues pruned to eliminate duplicates Z: 15 14.678 1.638 0.469 0.860 1.000 0.857 CB 1.199 30 residues pruned to eliminate duplicates Z: 8 8.336 1.523 0.675 0.788 1.000 0.714 CB 0.959 8 residues pruned to eliminate duplicates Z: 8 5.455 1.601 0.605 0.599 0.857 0.429 CB 0.852 8 residues pruned to eliminate duplicates Z: 12 8.258 1.758 0.561 0.570 0.909 0.545 CB 0.933 12 residues pruned to eliminate duplicates Z: 21 11.003 1.701 0.527 0.457 0.850 0.700 CB 1.163 21 residues pruned to eliminate duplicates Z: 23 8.754 1.622 0.484 0.459 0.818 0.545 CB 0.988 23 residues pruned to eliminate duplicates Z: 13 7.436 1.670 0.759 0.714 0.750 0.750 CB 0.802 13 residues pruned to eliminate duplicates Z: 15 9.932 1.690 0.747 0.421 0.857 0.429 CB 1.139 15 residues pruned to eliminate duplicates Z: 9 5.484 1.652 0.858 0.244 0.750 0.375 CB 1.133 9 residues pruned to eliminate duplicates Z: 6 3.714 1.656 0.288 0.499 0.800 0.400 CB 0.975 6 residues pruned to eliminate duplicates Z: 13 6.644 1.537 0.800 0.206 0.833 0.417 CB 1.178 13 residues pruned to eliminate duplicates Z: 10 3.755 1.657 0.289 0.364 0.778 0.444 CB 0.872 10 residues pruned to eliminate duplicates Z: 11 4.031 1.589 0.276 0.390 0.900 0.700 CB 0.785 11 residues pruned to eliminate duplicates Z: 25 7.445 1.630 0.369 0.398 0.750 0.417 CB 1.011 25 residues pruned to eliminate duplicates Z: 8 7.792 1.765 0.472 0.622 1.000 0.714 CB 1.011 8 residues pruned to eliminate duplicates Z: 11 8.715 1.824 0.469 0.584 0.800 0.400 CB 1.187 11 residues pruned to eliminate duplicates Z: 17 11.321 1.763 0.461 0.505 0.875 0.625 CB 1.249 19 residues pruned to eliminate duplicates Z: 8 8.071 1.578 0.425 0.753 1.000 0.429 CB 1.083 8 residues pruned to eliminate duplicates Z: 12 10.514 1.836 0.541 0.551 0.818 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 10 12.877 1.954 0.542 0.670 0.889 0.778 CB 1.370 10 residues pruned to eliminate duplicates Z: 20 9.287 1.810 0.535 0.368 0.789 0.632 CB 1.118 20 residues pruned to eliminate duplicates Z: 7 4.327 1.688 0.545 0.180 0.833 0.167 CB 1.196 7 residues pruned to eliminate duplicates Z: 9 6.816 1.648 0.626 0.473 1.000 0.625 CB 0.924 8 residues pruned to eliminate duplicates Z: 7 3.000 1.308 0.453 0.375 1.000 0.500 CA 0.736 Z: 6 2.557 1.184 0.649 0.289 0.800 0.400 O 0.928 6 residues pruned to eliminate duplicates Z: 12 14.722 1.820 0.452 0.818 1.000 0.818 CB 1.275 12 residues pruned to eliminate duplicates Z: 6 9.182 1.577 0.754 0.618 1.000 0.600 CB 1.327 6 residues pruned to eliminate duplicates Z: 15 11.802 1.802 0.556 0.638 0.857 0.714 CB 1.153 15 residues pruned to eliminate duplicates Z: 14 9.790 1.793 0.242 0.554 0.923 0.538 CB 1.253 14 residues pruned to eliminate duplicates Z: 12 9.862 1.885 0.436 0.647 0.909 0.818 CB 1.053 12 residues pruned to eliminate duplicates Z: 18 10.571 1.793 0.361 0.642 0.824 0.588 CB 1.117 18 residues pruned to eliminate duplicates Z: 19 11.298 1.741 0.729 0.563 0.833 0.556 CB 0.999 19 residues pruned to eliminate duplicates Z: 20 12.709 1.732 0.769 0.552 0.842 0.684 CB 1.074 19 residues pruned to eliminate duplicates Z: 9 4.739 1.477 0.462 0.717 0.750 0.625 CB 0.849 9 residues pruned to eliminate duplicates Z: 8 2.513 1.456 0.519 0.207 0.714 0.429 N 0.851 8 residues pruned to eliminate duplicates Z: 11 7.853 1.743 0.149 0.422 1.000 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 18 17.956 1.851 0.536 0.765 0.941 0.765 CB 1.287 14 residues pruned to eliminate duplicates Z: 15 17.533 1.931 0.304 0.862 1.000 1.000 CB 1.365 15 residues pruned to eliminate duplicates Z: 26 16.051 1.937 0.332 0.568 0.880 0.640 CB 1.324 20 residues pruned to eliminate duplicates Z: 12 19.864 1.978 0.814 0.875 1.000 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 15 14.682 1.899 0.501 0.826 0.929 0.643 CB 1.118 15 residues pruned to eliminate duplicates Z: 20 13.527 1.828 0.504 0.669 1.000 0.474 CB 0.965 20 residues pruned to eliminate duplicates Z: 17 14.298 1.942 0.681 0.672 0.875 0.688 CB 1.068 17 residues pruned to eliminate duplicates Z: 22 10.828 1.817 0.500 0.499 0.810 0.381 CB 1.072 22 residues pruned to eliminate duplicates Z: 25 12.935 1.872 0.409 0.554 0.875 0.625 CB 1.085 23 residues pruned to eliminate duplicates Z: 14 12.378 1.908 0.410 0.838 0.846 0.692 CB 1.127 14 residues pruned to eliminate duplicates Z: 25 13.726 1.870 0.494 0.501 0.875 0.583 CB 1.145 25 residues pruned to eliminate duplicates Z: 18 15.120 1.891 0.510 0.671 0.882 0.529 CB 1.243 18 residues pruned to eliminate duplicates Z: 27 15.598 1.764 0.568 0.593 0.923 0.654 CB 1.096 27 residues pruned to eliminate duplicates Z: 19 16.276 1.795 0.569 0.651 0.889 0.556 CB 1.331 25 residues pruned to eliminate duplicates Z: 16 19.962 1.815 0.529 0.881 1.000 0.867 CB 1.345 16 residues pruned to eliminate duplicates Z: 15 4.333 1.707 0.374 0.283 0.857 0.357 CB 0.735 8 residues pruned to eliminate duplicates Z: 18 14.918 1.747 0.564 0.691 1.000 0.588 CB 1.112 18 residues pruned to eliminate duplicates Z: 13 7.449 1.650 0.504 0.466 0.917 0.667 CB 0.978 13 residues pruned to eliminate duplicates Z: 29 15.122 1.749 0.409 0.597 0.964 0.607 CB 1.097 27 residues pruned to eliminate duplicates Z: 12 11.417 1.729 0.299 0.853 1.000 0.818 CB 1.133 12 residues pruned to eliminate duplicates Z: 13 18.294 1.795 0.549 0.901 1.000 0.833 CB 1.356 13 residues pruned to eliminate duplicates Z: 12 18.567 1.826 0.744 0.780 1.000 0.636 N 1.373 12 residues pruned to eliminate duplicates Z: 12 14.938 1.806 0.469 0.737 1.000 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 12 13.453 1.741 0.649 0.639 0.909 0.545 CB 1.364 12 residues pruned to eliminate duplicates Z: 16 15.432 1.813 0.503 0.787 0.933 0.600 CB 1.218 16 residues pruned to eliminate duplicates Z: 18 13.191 1.798 0.559 0.548 0.882 0.765 CB 1.234 18 residues pruned to eliminate duplicates Z: 12 16.479 1.845 0.662 0.720 0.909 0.727 CA 1.460 12 residues pruned to eliminate duplicates Z: 18 13.053 1.846 0.522 0.561 0.941 0.471 CB 1.128 18 residues pruned to eliminate duplicates Z: 16 14.010 1.820 0.686 0.541 0.867 0.333 CB 1.307 16 residues pruned to eliminate duplicates Z: 22 10.581 1.774 0.459 0.536 0.952 0.524 CB 0.904 22 residues pruned to eliminate duplicates Z: 18 11.175 1.798 0.386 0.506 0.941 0.647 CB 1.149 18 residues pruned to eliminate duplicates Z: 24 11.466 1.738 0.490 0.495 0.870 0.478 CB 1.067 24 residues pruned to eliminate duplicates Z: 14 5.634 1.817 0.157 0.272 0.846 0.308 CB 1.138 14 residues pruned to eliminate duplicates Z: 18 8.388 1.779 0.393 0.562 0.765 0.471 CB 1.011 18 residues pruned to eliminate duplicates Z: 18 13.615 1.843 0.490 0.625 0.941 0.647 CB 1.136 18 residues pruned to eliminate duplicates Z: 20 10.524 1.755 0.285 0.537 0.842 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 25 10.344 1.726 0.310 0.426 0.792 0.458 CB 1.275 25 residues pruned to eliminate duplicates Z: 32 11.584 1.688 0.468 0.452 0.839 0.323 CB 1.051 32 residues pruned to eliminate duplicates Z: 26 11.637 1.767 0.333 0.519 0.920 0.680 CB 1.054 26 residues pruned to eliminate duplicates Z: 16 6.061 1.691 0.566 0.277 0.733 0.467 CB 1.038 16 residues pruned to eliminate duplicates Z: 15 6.674 1.564 0.566 0.315 0.929 0.357 O 0.962 15 residues pruned to eliminate duplicates Z: 10 6.786 1.712 1.140 0.383 0.667 0.556 CB 1.048 10 residues pruned to eliminate duplicates Z: 8 6.785 1.732 0.538 0.510 0.714 0.571 CB 1.334 8 residues pruned to eliminate duplicates Z: 12 4.922 1.789 0.245 0.372 0.636 0.455 CB 1.201 12 residues pruned to eliminate duplicates Z: 14 6.165 1.667 0.592 0.315 0.692 0.385 CB 1.142 14 residues pruned to eliminate duplicates Z: 10 6.884 1.720 0.495 0.347 0.778 0.444 CB 1.354 10 residues pruned to eliminate duplicates Z: 8 6.479 1.743 0.425 0.463 0.714 0.571 CA 1.432 8 residues pruned to eliminate duplicates Z: 15 6.263 1.629 0.537 0.302 0.714 0.286 CB 1.167 13 residues pruned to eliminate duplicates Z: 11 10.743 1.755 0.581 0.633 0.800 0.600 CA 1.351 11 residues pruned to eliminate duplicates Z: 8 4.542 1.579 0.623 0.485 0.571 0.571 CA 1.190 8 residues pruned to eliminate duplicates Z: 10 8.053 1.740 1.151 0.534 0.778 0.667 CB 0.892 6 residues pruned to eliminate duplicates Z: 8 8.010 1.602 0.554 0.720 0.857 0.714 CA 1.163 8 residues pruned to eliminate duplicates Z: 21 14.076 1.802 0.837 0.520 0.800 0.550 CB 1.165 29 residues pruned to eliminate duplicates Z: 12 23.008 1.854 1.093 0.892 1.000 0.909 CB 1.284 12 residues pruned to eliminate duplicates Z: 12 20.917 1.950 1.170 0.808 0.909 0.636 CB 1.253 12 residues pruned to eliminate duplicates Z: 15 15.252 1.854 0.847 0.594 0.857 0.571 CB 1.270 15 residues pruned to eliminate duplicates Z: 14 12.207 1.873 0.614 0.602 0.769 0.692 CB 1.321 14 residues pruned to eliminate duplicates Z: 12 15.703 1.977 0.909 0.837 0.909 0.909 CB 1.032 12 residues pruned to eliminate duplicates Z: 9 13.402 1.993 0.509 0.635 0.875 0.750 CB 1.586 9 residues pruned to eliminate duplicates Z: 8 13.678 1.997 0.688 0.705 0.857 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 22 13.023 1.833 0.747 0.483 0.952 0.571 CB 0.948 22 residues pruned to eliminate duplicates Z: 8 11.338 1.995 0.733 0.680 0.857 0.857 CB 1.226 8 residues pruned to eliminate duplicates Z: 19 12.481 1.949 0.500 0.490 0.889 0.722 CB 1.144 19 residues pruned to eliminate duplicates Z: 19 12.882 1.927 0.459 0.498 0.944 0.556 CB 1.147 19 residues pruned to eliminate duplicates Z: 27 12.523 1.819 0.692 0.384 0.846 0.500 CB 1.067 34 residues pruned to eliminate duplicates Z: 7 8.744 1.815 0.451 0.591 1.000 0.667 CA 1.242 7 residues pruned to eliminate duplicates Z: 20 10.429 1.899 0.405 0.509 0.842 0.579 CB 1.056 27 residues pruned to eliminate duplicates Z: 10 5.654 1.576 0.642 0.650 1.000 0.556 CB 0.633 9 residues pruned to eliminate duplicates Z: 12 8.849 1.540 0.530 0.827 1.000 0.818 CB 0.854 12 residues pruned to eliminate duplicates Z: 6 6.257 1.504 0.843 0.649 1.000 0.800 CB 0.878 6 residues pruned to eliminate duplicates Z: 6 3.898 1.696 0.769 0.630 1.000 1.000 CB 0.514 6 residues pruned to eliminate duplicates Z: 10 9.021 1.681 0.583 0.743 0.889 0.556 CB 1.023 10 residues pruned to eliminate duplicates Z: 13 10.532 1.601 0.637 0.813 0.917 0.583 CB 0.964 13 residues pruned to eliminate duplicates Z: 13 9.312 1.577 0.447 0.777 1.000 0.833 CB 0.923 13 residues pruned to eliminate duplicates Z: 13 9.237 1.620 0.424 0.773 0.917 0.667 CB 0.990 13 residues pruned to eliminate duplicates Z: 14 10.861 1.556 0.700 0.748 1.000 0.769 CB 0.912 14 residues pruned to eliminate duplicates Z: 11 11.137 1.548 0.584 0.797 0.900 0.700 N 1.230 11 residues pruned to eliminate duplicates Z: 14 9.156 1.583 0.612 0.699 0.923 0.615 CB 0.900 14 residues pruned to eliminate duplicates Z: 23 9.215 1.621 0.545 0.442 0.864 0.591 CB 0.964 23 residues pruned to eliminate duplicates Z: 23 14.341 1.666 0.629 0.506 0.909 0.545 CB 1.231 25 residues pruned to eliminate duplicates Z: 7 2.958 1.226 -0.073 0.487 1.000 0.500 CA 1.077 7 residues pruned to eliminate duplicates Z: 7 4.201 1.277 0.644 0.529 0.833 0.667 CB 0.953 7 residues pruned to eliminate duplicates Z: 9 5.075 1.714 0.711 0.298 0.625 0.375 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 4.906 1.732 0.379 0.256 0.667 0.333 CB 1.358 10 residues pruned to eliminate duplicates Z: 9 6.913 1.676 0.998 0.319 0.750 0.125 CB 1.188 9 residues pruned to eliminate duplicates Z: 9 6.302 1.747 0.596 0.309 0.750 0.125 CB 1.317 9 residues pruned to eliminate duplicates Z: 7 4.914 1.623 0.409 0.383 0.833 0.500 CB 1.192 5 residues pruned to eliminate duplicates Z: 14 17.195 1.872 0.517 0.796 0.923 0.769 CB 1.404 13 residues pruned to eliminate duplicates Z: 15 15.953 1.850 0.518 0.720 0.929 0.714 CB 1.340 14 residues pruned to eliminate duplicates Z: 14 20.399 1.863 0.519 0.883 1.000 0.692 CA 1.447 13 residues pruned to eliminate duplicates Z: 14 21.200 1.900 0.673 0.895 0.923 0.923 CB 1.437 14 residues pruned to eliminate duplicates Z: 13 19.264 1.869 0.682 0.892 0.917 0.833 CB 1.387 13 residues pruned to eliminate duplicates Z: 16 19.594 1.873 0.636 0.645 1.000 0.600 CB 1.442 16 residues pruned to eliminate duplicates Z: 14 16.609 1.727 0.703 0.835 0.923 0.692 CB 1.271 16 residues pruned to eliminate duplicates Z: 14 19.698 1.858 0.728 0.832 0.923 0.769 CB 1.384 14 residues pruned to eliminate duplicates Z: 22 19.355 1.823 0.487 0.608 1.000 0.714 CB 1.407 25 residues pruned to eliminate duplicates Z: 13 18.345 1.887 0.603 0.847 0.917 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 14 23.879 1.911 0.815 0.840 1.000 0.769 CB 1.424 14 residues pruned to eliminate duplicates Z: 15 16.322 1.847 0.635 0.763 0.857 0.500 CB 1.334 15 residues pruned to eliminate duplicates Z: 22 19.847 1.819 0.513 0.626 1.000 0.714 CB 1.397 22 residues pruned to eliminate duplicates Z: 16 20.035 1.886 0.434 0.775 1.000 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 18 14.082 1.766 0.557 0.484 0.941 0.471 CB 1.340 18 residues pruned to eliminate duplicates Z: 7 7.833 1.481 0.606 0.549 1.000 0.667 CB 1.282 7 residues pruned to eliminate duplicates Z: 28 14.508 1.672 0.616 0.501 0.963 0.481 CB 1.072 57 residues pruned to eliminate duplicates Z: 24 15.384 1.745 0.498 0.536 0.913 0.565 CB 1.298 24 residues pruned to eliminate duplicates Z: 6 2.236 1.481 0.428 0.158 0.800 0.400 CB 0.898 6 residues pruned to eliminate duplicates Z: 14 11.667 2.002 0.358 0.786 1.000 0.692 CB 0.926 14 residues pruned to eliminate duplicates Z: 15 10.958 2.001 0.328 0.727 0.929 0.571 CB 0.968 15 residues pruned to eliminate duplicates Z: 15 12.235 1.987 0.406 0.752 0.929 0.643 CB 1.006 15 residues pruned to eliminate duplicates Z: 12 11.370 2.035 0.153 0.752 0.909 0.636 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 13.203 1.951 0.312 0.730 0.923 0.769 CB 1.260 14 residues pruned to eliminate duplicates Z: 15 13.051 2.015 0.300 0.798 1.000 0.786 CB 1.027 15 residues pruned to eliminate duplicates Z: 15 16.432 1.983 0.473 0.774 1.000 0.643 CB 1.180 16 residues pruned to eliminate duplicates Z: 11 13.021 1.937 0.249 0.866 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 16 15.969 1.859 0.460 0.725 0.933 0.733 CB 1.329 15 residues pruned to eliminate duplicates Z: 15 13.490 1.981 0.222 0.809 1.000 0.714 CB 1.138 15 residues pruned to eliminate duplicates Z: 16 15.417 1.963 0.622 0.750 0.867 0.533 CB 1.154 16 residues pruned to eliminate duplicates Z: 16 12.549 1.981 0.271 0.796 0.933 0.800 CB 1.064 16 residues pruned to eliminate duplicates Z: 17 15.141 1.935 0.479 0.782 1.000 0.688 CB 1.032 16 residues pruned to eliminate duplicates Z: 17 15.602 1.945 0.402 0.819 1.000 0.750 CB 1.085 17 residues pruned to eliminate duplicates Z: 18 12.962 1.847 0.474 0.729 0.941 0.706 CB 0.999 18 residues pruned to eliminate duplicates Z: 10 3.853 1.690 0.716 0.356 1.000 0.667 CB 0.517 4 residues pruned to eliminate duplicates Z: 6 4.009 1.733 0.231 0.426 1.000 0.800 CB 0.908 5 residues pruned to eliminate duplicates Z: 12 15.463 1.852 0.366 0.906 1.000 0.909 CB 1.311 12 residues pruned to eliminate duplicates Z: 14 12.739 1.827 0.310 0.855 0.923 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 14 11.644 1.781 0.165 0.834 1.000 0.923 CB 1.167 14 residues pruned to eliminate duplicates Z: 14 11.368 1.864 0.297 0.806 0.923 0.769 CB 1.082 14 residues pruned to eliminate duplicates Z: 13 13.757 1.818 0.585 0.821 0.917 0.833 CB 1.137 13 residues pruned to eliminate duplicates Z: 13 15.166 1.844 0.320 0.814 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 13 14.956 1.851 0.472 0.832 0.917 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 13.418 1.771 0.312 0.807 1.000 0.857 CB 1.181 15 residues pruned to eliminate duplicates Z: 11 11.353 1.844 0.398 0.834 0.900 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 12 6.931 1.745 0.207 0.573 0.727 0.455 CB 1.271 12 residues pruned to eliminate duplicates Z: 19 13.384 1.816 0.204 0.692 0.944 0.722 CB 1.281 12 residues pruned to eliminate duplicates Z: 6 3.129 1.651 -0.038 0.502 1.000 0.600 CB 0.879 Z: 13 12.018 2.030 0.406 0.335 0.917 0.667 CB 1.588 5 residues pruned to eliminate duplicates Z: 6 4.237 1.530 0.369 0.439 1.000 0.400 CB 0.963 6 residues pruned to eliminate duplicates Z: 11 11.884 2.207 0.227 0.440 0.900 0.600 CB 1.641 11 residues pruned to eliminate duplicates Z: 13 10.961 2.078 0.313 0.408 1.000 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 22 10.723 1.736 0.404 0.292 0.857 0.429 CB 1.414 36 residues pruned to eliminate duplicates Z: 15 10.339 1.916 0.441 0.464 0.786 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 10 11.105 2.178 0.647 0.460 0.667 0.556 CB 1.613 Z: 25 20.486 1.995 0.556 0.500 0.917 0.583 CB 1.469 35 residues pruned to eliminate duplicates Z: 26 17.938 1.973 0.520 0.438 0.880 0.600 CB 1.450 26 residues pruned to eliminate duplicates Z: 31 19.672 1.902 0.568 0.449 0.933 0.633 CB 1.360 31 residues pruned to eliminate duplicates Z: 25 23.443 1.978 0.691 0.505 0.958 0.625 CB 1.485 25 residues pruned to eliminate duplicates Z: 28 19.855 1.950 0.654 0.458 0.926 0.519 CB 1.336 28 residues pruned to eliminate duplicates Z: 32 19.844 1.886 0.612 0.495 0.935 0.516 CB 1.259 40 residues pruned to eliminate duplicates Z: 32 21.042 1.910 0.549 0.484 0.968 0.548 CB 1.341 32 residues pruned to eliminate duplicates Z: 27 22.064 1.938 0.776 0.439 0.962 0.462 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 14.530 1.804 0.837 0.444 0.875 0.438 CB 1.327 17 residues pruned to eliminate duplicates Z: 10 11.606 1.875 0.568 0.600 0.889 0.667 CB 1.346 10 residues pruned to eliminate duplicates Z: 25 17.656 1.930 0.484 0.476 0.917 0.667 CB 1.406 25 residues pruned to eliminate duplicates Z: 35 18.306 1.871 0.506 0.498 0.882 0.647 CB 1.266 35 residues pruned to eliminate duplicates Z: 15 16.649 1.833 0.769 0.489 0.929 0.714 CA 1.494 15 residues pruned to eliminate duplicates Z: 30 19.965 1.948 0.646 0.440 0.828 0.586 CB 1.487 43 residues pruned to eliminate duplicates Z: 15 13.224 1.908 0.424 0.479 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 28 16.966 1.877 0.520 0.455 0.889 0.593 CB 1.348 28 residues pruned to eliminate duplicates Z: 27 15.574 1.795 0.646 0.516 0.846 0.577 CB 1.203 27 residues pruned to eliminate duplicates Z: 18 13.040 1.810 0.522 0.495 0.941 0.765 CB 1.227 18 residues pruned to eliminate duplicates Z: 31 20.757 1.919 0.604 0.520 0.933 0.667 CB 1.294 31 residues pruned to eliminate duplicates Z: 47 18.200 1.841 0.451 0.450 0.826 0.500 CB 1.280 47 residues pruned to eliminate duplicates Z: 27 16.068 1.761 0.502 0.550 0.962 0.692 CB 1.180 33 residues pruned to eliminate duplicates Z: 28 18.445 1.796 0.515 0.633 0.963 0.778 CB 1.196 28 residues pruned to eliminate duplicates Z: 33 16.709 1.715 0.589 0.602 0.906 0.656 CB 1.085 33 residues pruned to eliminate duplicates Z: 44 20.597 1.826 0.521 0.531 0.884 0.651 CB 1.241 44 residues pruned to eliminate duplicates Z: 41 18.390 1.744 0.598 0.494 0.900 0.625 CB 1.165 41 residues pruned to eliminate duplicates Z: 25 14.476 1.719 0.543 0.548 0.917 0.500 CB 1.159 25 residues pruned to eliminate duplicates Z: 20 17.325 1.809 0.860 0.571 0.947 0.789 CB 1.164 20 residues pruned to eliminate duplicates Z: 43 24.765 1.880 0.592 0.546 0.976 0.714 CB 1.250 43 residues pruned to eliminate duplicates Z: 14 7.275 1.741 0.396 0.443 0.769 0.538 CB 1.144 14 residues pruned to eliminate duplicates Z: 15 7.788 1.799 0.461 0.371 0.786 0.429 CB 1.158 15 residues pruned to eliminate duplicates Z: 15 8.390 1.747 0.519 0.453 0.786 0.357 CB 1.129 15 residues pruned to eliminate duplicates Z: 35 16.227 1.813 0.443 0.571 0.853 0.647 CB 1.164 35 residues pruned to eliminate duplicates Z: 15 7.305 1.766 0.576 0.434 0.714 0.429 CB 1.051 15 residues pruned to eliminate duplicates Z: 11 6.251 1.782 0.464 0.448 0.700 0.400 CB 1.142 11 residues pruned to eliminate duplicates Z: 25 12.715 1.757 0.495 0.462 0.792 0.417 CB 1.298 36 residues pruned to eliminate duplicates Z: 10 4.843 1.625 0.307 0.430 0.667 0.444 CB 1.226 10 residues pruned to eliminate duplicates Z: 15 8.194 1.845 0.359 0.414 0.714 0.571 CB 1.338 15 residues pruned to eliminate duplicates Z: 36 16.890 1.762 0.583 0.446 0.829 0.543 CB 1.307 36 residues pruned to eliminate duplicates Z: 16 10.142 1.813 0.443 0.427 0.733 0.467 CB 1.473 16 residues pruned to eliminate duplicates Z: 13 9.803 1.913 0.414 0.426 0.750 0.583 CB 1.507 13 residues pruned to eliminate duplicates Z: 21 11.618 1.852 0.533 0.359 0.800 0.450 CB 1.331 21 residues pruned to eliminate duplicates Z: 19 7.750 1.726 0.540 0.388 0.667 0.500 CB 1.161 19 residues pruned to eliminate duplicates Z: 18 12.181 1.834 0.612 0.461 0.824 0.471 CB 1.262 18 residues pruned to eliminate duplicates Z: 12 10.080 1.852 0.454 0.469 0.818 0.273 CA 1.424 12 residues pruned to eliminate duplicates Z: 11 5.752 1.837 0.418 0.419 0.600 0.400 CB 1.265 11 residues pruned to eliminate duplicates Z: 28 11.711 1.716 0.544 0.375 0.778 0.444 CB 1.249 20 residues pruned to eliminate duplicates Z: 6 4.210 1.745 0.523 0.344 0.800 0.200 CA 1.050 6 residues pruned to eliminate duplicates Z: 19 7.954 1.895 0.240 0.491 0.833 0.556 CB 0.966 19 residues pruned to eliminate duplicates Z: 11 9.961 1.883 0.456 0.585 0.700 0.600 CA 1.514 11 residues pruned to eliminate duplicates Z: 21 10.866 1.842 0.279 0.498 0.850 0.550 CB 1.216 21 residues pruned to eliminate duplicates Z: 12 7.532 1.815 0.392 0.486 0.818 0.636 CB 1.114 12 residues pruned to eliminate duplicates Z: 11 8.745 1.790 0.655 0.521 0.800 0.500 CB 1.142 11 residues pruned to eliminate duplicates Z: 10 14.203 1.867 0.559 0.713 1.000 0.778 CB 1.341 18 residues pruned to eliminate duplicates Z: 7 3.571 1.492 0.436 0.423 0.833 0.833 CB 0.885 7 residues pruned to eliminate duplicates Z: 20 13.075 1.835 0.695 0.528 0.789 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 13 6.616 1.537 0.252 0.638 0.917 0.417 CB 0.951 15 residues pruned to eliminate duplicates Z: 10 8.561 1.734 0.342 0.545 1.000 0.333 CB 1.174 20 residues pruned to eliminate duplicates Z: 9 6.535 1.717 0.308 0.619 1.000 0.500 CB 0.919 9 residues pruned to eliminate duplicates Z: 9 5.788 1.707 0.332 0.485 0.875 0.375 CB 1.044 9 residues pruned to eliminate duplicates Z: 14 5.302 1.547 0.267 0.408 0.846 0.385 CB 0.976 14 residues pruned to eliminate duplicates Z: 11 6.462 1.720 0.169 0.621 0.800 0.300 CB 1.132 11 residues pruned to eliminate duplicates 6 1.366 1.231 0.340 0.491 0.600 0.200 CB 0.623 ? Z: 7 2.677 1.629 0.582 0.255 0.667 0.167 N 0.843 7 residues pruned to eliminate duplicates Z: 6 3.435 1.726 0.172 0.321 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 13 5.858 1.600 0.415 0.413 0.667 0.417 CB 1.227 10 residues pruned to eliminate duplicates Z: 6 8.734 1.836 0.575 0.699 0.800 0.600 CB 1.409 6 residues pruned to eliminate duplicates Z: 20 11.319 1.778 0.715 0.405 0.789 0.526 CB 1.192 20 residues pruned to eliminate duplicates Z: 30 22.051 1.858 0.666 0.605 0.931 0.621 CB 1.286 32 residues pruned to eliminate duplicates Z: 8 5.056 1.771 0.482 0.498 0.857 0.571 CB 0.851 8 residues pruned to eliminate duplicates Z: 25 14.073 1.795 0.360 0.594 0.833 0.542 CB 1.291 25 residues pruned to eliminate duplicates Z: 16 14.489 1.878 0.399 0.633 1.000 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 29 18.562 1.870 0.606 0.565 0.893 0.536 CB 1.228 31 residues pruned to eliminate duplicates Z: 19 17.809 1.855 0.581 0.755 0.944 0.556 CB 1.207 19 residues pruned to eliminate duplicates Z: 24 18.335 1.830 0.649 0.576 0.870 0.609 CB 1.354 24 residues pruned to eliminate duplicates Z: 21 17.297 1.904 0.647 0.737 0.900 0.700 CB 1.109 21 residues pruned to eliminate duplicates Z: 31 16.937 1.846 0.498 0.587 0.900 0.533 CB 1.143 31 residues pruned to eliminate duplicates Z: 18 13.788 1.830 0.437 0.645 1.000 0.588 CB 1.110 18 residues pruned to eliminate duplicates Z: 18 17.190 1.772 0.729 0.650 0.824 0.471 CB 1.437 18 residues pruned to eliminate duplicates Z: 22 19.396 1.793 0.753 0.545 0.905 0.571 N 1.423 22 residues pruned to eliminate duplicates Z: 23 15.961 1.770 0.687 0.599 0.818 0.591 CB 1.266 23 residues pruned to eliminate duplicates Z: 15 17.280 1.838 0.500 0.756 0.929 0.714 CB 1.437 13 residues pruned to eliminate duplicates Z: 16 18.815 1.828 0.592 0.852 1.000 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 16 12.216 1.723 0.425 0.532 0.933 0.600 N 1.334 16 residues pruned to eliminate duplicates Z: 21 15.454 1.711 0.508 0.645 0.850 0.550 CB 1.376 16 residues pruned to eliminate duplicates Z: 16 15.469 1.818 0.422 0.827 1.000 0.733 CB 1.164 16 residues pruned to eliminate duplicates Z: 25 21.346 1.842 0.534 0.690 0.958 0.708 CB 1.352 25 residues pruned to eliminate duplicates Z: 31 17.225 1.832 0.502 0.583 0.867 0.567 CB 1.217 31 residues pruned to eliminate duplicates Z: 19 15.923 1.765 0.377 0.634 0.944 0.722 N 1.442 19 residues pruned to eliminate duplicates Z: 18 20.624 1.827 0.519 0.845 0.941 0.824 CB 1.424 18 residues pruned to eliminate duplicates Z: 16 16.342 1.769 0.495 0.579 0.933 0.667 CB 1.584 16 residues pruned to eliminate duplicates Z: 6 5.356 1.397 0.560 0.422 1.000 0.600 C 1.192 6 residues pruned to eliminate duplicates Z: 10 5.399 1.530 0.489 0.292 0.778 0.444 N 1.282 11 residues pruned to eliminate duplicates Z: 8 6.385 1.419 0.720 0.425 0.857 0.571 O 1.248 8 residues pruned to eliminate duplicates Z: 10 4.584 1.521 0.371 0.267 0.778 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 12 4.711 1.527 0.076 0.317 1.000 0.455 CB 1.058 12 residues pruned to eliminate duplicates Z: 13 6.300 1.540 0.222 0.375 0.917 0.500 N 1.204 17 residues pruned to eliminate duplicates Z: 6 4.605 1.506 0.104 0.644 1.000 0.600 N 1.082 7 residues pruned to eliminate duplicates Z: 9 7.671 1.472 0.530 0.779 0.875 0.375 CB 1.076 8 residues pruned to eliminate duplicates Z: 8 3.756 1.531 0.542 0.681 0.571 0.143 CB 0.891 8 residues pruned to eliminate duplicates Z: 9 4.170 1.504 0.513 0.468 0.750 0.250 CB 0.893 9 residues pruned to eliminate duplicates Z: 13 5.464 1.515 0.618 0.348 0.750 0.167 CB 1.012 13 residues pruned to eliminate duplicates Z: 17 16.555 1.853 1.026 0.598 0.938 0.688 CB 1.071 17 residues pruned to eliminate duplicates Z: 16 23.639 2.008 0.994 0.622 1.000 0.667 CB 1.358 16 residues pruned to eliminate duplicates Z: 6 8.078 1.864 1.097 0.459 0.800 0.400 CA 1.205 6 residues pruned to eliminate duplicates Z: 15 20.385 2.029 0.749 0.608 1.000 0.571 CB 1.384 15 residues pruned to eliminate duplicates Z: 15 23.288 2.022 0.925 0.670 1.000 0.786 CB 1.367 15 residues pruned to eliminate duplicates Z: 6 3.489 1.399 0.541 0.317 1.000 0.800 N 0.886 6 residues pruned to eliminate duplicates Z: 20 19.352 1.840 1.022 0.570 0.895 0.684 CB 1.246 20 residues pruned to eliminate duplicates Z: 7 6.009 1.740 0.755 0.684 0.833 0.833 CB 0.814 Z: 15 18.886 1.933 0.792 0.646 1.000 0.714 CB 1.272 22 residues pruned to eliminate duplicates Z: 28 22.654 1.933 0.697 0.585 0.889 0.556 CB 1.378 29 residues pruned to eliminate duplicates Z: 7 6.975 1.481 0.982 0.573 1.000 0.500 CA 0.904 Z: 14 11.176 1.821 0.514 0.518 1.000 0.462 CB 1.105 21 residues pruned to eliminate duplicates Z: 30 23.019 1.922 0.743 0.592 0.897 0.655 CB 1.304 30 residues pruned to eliminate duplicates Z: 6 4.955 1.583 0.312 0.330 1.000 0.800 CA 1.286 6 residues pruned to eliminate duplicates Z: 12 4.854 1.639 0.426 0.479 0.727 0.364 CB 0.879 12 residues pruned to eliminate duplicates Z: 14 6.605 1.900 0.315 0.382 0.846 0.462 CB 0.983 14 residues pruned to eliminate duplicates Z: 19 12.015 1.921 0.166 0.588 0.944 0.611 CB 1.231 19 residues pruned to eliminate duplicates Z: 29 17.623 1.901 0.312 0.633 0.964 0.750 CB 1.222 29 residues pruned to eliminate duplicates Z: 35 18.125 1.852 0.408 0.559 0.941 0.676 CB 1.196 35 residues pruned to eliminate duplicates Z: 27 17.627 1.947 0.217 0.603 0.962 0.769 CB 1.376 27 residues pruned to eliminate duplicates Z: 29 13.831 1.883 0.223 0.530 0.964 0.643 CB 1.143 29 residues pruned to eliminate duplicates Z: 23 21.471 1.910 0.563 0.633 0.955 0.773 CB 1.417 23 residues pruned to eliminate duplicates Z: 21 12.298 1.894 0.296 0.508 0.900 0.550 CB 1.235 21 residues pruned to eliminate duplicates Z: 23 18.564 1.946 0.368 0.669 1.000 0.909 CB 1.271 23 residues pruned to eliminate duplicates Z: 24 19.289 1.944 0.548 0.578 0.957 0.739 CB 1.296 24 residues pruned to eliminate duplicates Z: 41 20.250 1.895 0.584 0.465 0.850 0.575 CB 1.300 39 residues pruned to eliminate duplicates Z: 15 16.677 1.876 0.327 0.900 0.857 0.857 CB 1.492 15 residues pruned to eliminate duplicates Z: 47 29.294 1.938 0.652 0.598 0.935 0.652 CB 1.314 49 residues pruned to eliminate duplicates Z: 16 19.424 1.999 0.420 0.775 1.000 0.800 CB 1.386 16 residues pruned to eliminate duplicates Z: 12 5.514 1.803 0.432 0.365 0.727 0.545 CB 1.024 12 residues pruned to eliminate duplicates Z: 30 17.555 1.940 0.381 0.568 0.966 0.690 CB 1.180 30 residues pruned to eliminate duplicates Z: 36 19.890 1.896 0.380 0.603 0.943 0.686 CB 1.235 36 residues pruned to eliminate duplicates Z: 33 15.319 1.849 0.412 0.533 0.844 0.531 CB 1.190 33 residues pruned to eliminate duplicates Z: 35 22.020 1.920 0.515 0.622 0.941 0.735 CB 1.230 35 residues pruned to eliminate duplicates Z: 9 8.038 1.815 0.514 0.623 0.875 0.500 CB 1.052 9 residues pruned to eliminate duplicates Z: 33 16.497 1.900 0.477 0.497 0.875 0.594 CB 1.191 33 residues pruned to eliminate duplicates Z: 34 17.902 1.919 0.351 0.525 0.879 0.667 CB 1.334 34 residues pruned to eliminate duplicates Z: 7 12.880 1.931 0.587 0.698 1.000 1.000 CB 1.433 7 residues pruned to eliminate duplicates Z: 8 7.458 1.836 0.259 0.481 0.857 0.286 CB 1.450 783 residues left after pruning, divided into chains as follows: A: 17 B: 7 C: 7 D: 8 E: 7 F: 9 G: 6 H: 9 I: 14 J: 6 K: 12 L: 10 M: 15 N: 11 O: 7 P: 12 Q: 99 R: 6 S: 15 T: 36 U: 15 V: 21 W: 30 X: 21 Y: 28 Z: 10 Z: 22 Z: 24 Z: 22 Z: 105 Z: 13 Z: 37 Z: 15 Z: 70 Z: 37 CC for partial structure against native data = 28.70 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.470, Connect. = 0.665 for dens.mod. cycle 1 = 0.300, Contrast = 0.545, Connect. = 0.690 for dens.mod. cycle 2 = 0.300, Contrast = 0.634, Connect. = 0.722 for dens.mod. cycle 3 = 0.300, Contrast = 0.647, Connect. = 0.727 for dens.mod. cycle 4 = 0.300, Contrast = 0.658, Connect. = 0.731 for dens.mod. cycle 5 = 0.300, Contrast = 0.663, Connect. = 0.733 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.736 for dens.mod. cycle 7 = 0.300, Contrast = 0.669, Connect. = 0.737 for dens.mod. cycle 8 = 0.300, Contrast = 0.670, Connect. = 0.738 for dens.mod. cycle 9 = 0.300, Contrast = 0.670, Connect. = 0.739 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4201 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1082 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 23.335 2.108 0.887 0.804 0.917 0.667 CB 1.417 B: 17 14.572 1.848 0.727 0.528 0.875 0.625 CB 1.269 C: 8 11.169 1.805 0.691 0.756 1.000 1.000 CB 1.101 D: 16 19.412 1.911 0.466 0.829 1.000 0.800 CB 1.346 E: 10 12.822 2.080 0.557 0.808 0.889 0.667 CB 1.135 F: 10 11.892 1.591 0.365 0.780 1.000 1.000 CA 1.427 G: 15 27.377 1.991 1.035 0.854 1.000 0.786 CB 1.334 13 residues pruned to eliminate duplicates H: 9 14.753 1.725 0.611 0.821 1.000 0.625 CB 1.422 10 residues pruned to eliminate duplicates I: 14 18.349 2.026 0.800 0.672 1.000 0.846 CB 1.191 15 residues pruned to eliminate duplicates J: 16 25.749 1.909 0.879 0.870 1.000 0.867 CB 1.352 16 residues pruned to eliminate duplicates K: 15 21.220 1.945 0.503 0.833 1.000 0.929 CB 1.455 16 residues pruned to eliminate duplicates L: 14 13.460 1.784 0.564 0.828 1.000 0.615 CB 1.007 M: 11 12.192 1.620 0.513 0.830 1.000 0.500 CB 1.183 11 residues pruned to eliminate duplicates N: 10 16.244 2.022 0.739 0.891 1.000 0.556 CB 1.107 O: 15 23.090 1.907 0.932 0.877 1.000 0.571 CB 1.216 15 residues pruned to eliminate duplicates P: 15 24.166 1.973 0.877 0.833 1.000 0.857 CB 1.309 15 residues pruned to eliminate duplicates Q: 11 13.354 2.046 0.233 0.771 0.900 0.800 CB 1.463 9 residues pruned to eliminate duplicates R: 17 11.491 1.830 0.537 0.418 0.938 0.562 CB 1.187 10 residues pruned to eliminate duplicates S: 7 11.451 1.838 0.585 0.802 1.000 0.833 CA 1.232 T: 15 18.697 1.903 1.001 0.850 1.000 0.429 CB 0.972 15 residues pruned to eliminate duplicates U: 13 11.961 1.828 0.815 0.440 0.833 0.500 CB 1.328 V: 7 6.506 1.746 0.189 0.675 0.833 0.667 CB 1.307 W: 6 8.057 1.691 0.749 0.822 0.800 0.600 N 1.153 X: 13 24.598 2.068 0.894 0.816 0.917 0.667 CB 1.503 13 residues pruned to eliminate duplicates Y: 6 3.669 1.486 0.130 0.567 1.000 0.600 N 0.917 Z: 13 12.931 1.996 0.691 0.583 0.833 0.667 CB 1.226 Z: 8 14.333 1.847 0.557 0.824 0.857 0.714 O 1.660 8 residues pruned to eliminate duplicates Z: 10 6.001 1.760 0.278 0.604 0.889 0.778 CB 0.906 Z: 13 15.596 1.755 0.638 0.850 0.917 0.667 CB 1.266 12 residues pruned to eliminate duplicates Z: 10 11.601 1.858 0.016 0.906 1.000 1.000 CB 1.456 Z: 12 15.270 1.969 0.626 0.904 0.727 0.636 CB 1.409 13 residues pruned to eliminate duplicates Z: 16 26.510 1.862 0.842 0.790 1.000 0.667 CB 1.547 Z: 11 9.732 1.814 0.322 0.489 0.900 0.800 CA 1.442 Z: 7 11.586 1.948 0.774 0.677 0.833 0.833 CB 1.396 8 residues pruned to eliminate duplicates Z: 11 10.717 1.560 0.457 0.834 0.900 0.800 O 1.242 Z: 15 15.540 1.686 0.818 0.856 0.857 0.571 CB 1.166 7 residues pruned to eliminate duplicates Z: 7 6.788 1.748 0.280 0.674 0.833 0.667 N 1.266 7 residues pruned to eliminate duplicates Z: 9 9.083 1.679 0.454 0.808 0.875 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 12 20.878 1.827 0.834 0.868 1.000 0.818 CB 1.373 Z: 14 15.358 1.735 0.836 0.855 0.923 0.692 CB 1.069 10 residues pruned to eliminate duplicates Z: 25 13.856 1.940 0.339 0.371 0.917 0.458 CB 1.363 Z: 31 16.519 1.900 0.325 0.520 0.933 0.767 CB 1.259 22 residues pruned to eliminate duplicates Z: 8 6.665 1.353 0.503 0.829 0.857 0.857 O 1.087 7 residues pruned to eliminate duplicates Z: 10 3.967 1.880 0.339 0.873 1.000 0.889 CB 0.383 Z: 17 14.932 1.983 0.424 0.776 0.938 0.812 CB 1.105 Z: 13 17.108 1.896 0.338 0.887 0.917 0.833 CA 1.531 10 residues pruned to eliminate duplicates Z: 14 13.620 1.822 0.468 0.906 1.000 0.923 CB 1.005 Z: 13 14.875 1.838 0.435 0.818 1.000 0.833 CB 1.235 14 residues pruned to eliminate duplicates Z: 8 8.020 2.013 0.426 0.370 0.857 0.714 CB 1.416 Z: 9 7.219 1.393 0.627 0.776 0.875 0.875 N 1.009 Z: 15 14.790 1.749 0.562 0.883 1.000 0.786 CB 1.046 15 residues pruned to eliminate duplicates Z: 6 7.417 1.825 1.011 0.642 0.600 0.600 CB 1.320 Z: 8 4.005 1.681 0.368 0.457 0.571 0.286 CB 1.203 Z: 6 11.625 2.084 0.746 0.770 0.800 0.800 CB 1.406 6 residues pruned to eliminate duplicates Z: 14 13.601 1.830 0.636 0.599 1.000 0.615 CA 1.146 Z: 13 17.047 1.913 0.379 0.926 1.000 1.000 CB 1.308 13 residues pruned to eliminate duplicates Z: 16 16.915 1.981 0.610 0.814 1.000 0.867 CB 1.042 16 residues pruned to eliminate duplicates Z: 14 18.930 1.745 0.855 0.900 0.923 0.923 CB 1.255 13 residues pruned to eliminate duplicates Z: 25 20.330 1.998 0.557 0.590 0.958 0.375 CB 1.278 18 residues pruned to eliminate duplicates Z: 7 11.940 1.782 0.690 0.745 1.000 0.500 N 1.300 7 residues pruned to eliminate duplicates Z: 9 7.741 1.923 0.367 0.578 0.625 0.500 CA 1.545 9 residues pruned to eliminate duplicates Z: 10 3.224 1.558 0.398 0.262 0.667 0.556 CB 0.971 Z: 17 16.924 1.781 0.354 0.782 0.938 0.688 CB 1.460 17 residues pruned to eliminate duplicates Z: 13 11.825 1.941 0.340 0.789 0.833 0.750 CB 1.222 13 residues pruned to eliminate duplicates Z: 20 12.821 1.852 0.457 0.363 0.842 0.316 CB 1.500 15 residues pruned to eliminate duplicates Z: 19 13.453 1.921 0.476 0.401 0.889 0.500 CB 1.397 Z: 17 20.035 1.803 0.551 0.816 0.938 0.688 CB 1.452 17 residues pruned to eliminate duplicates Z: 15 21.381 1.965 0.985 0.643 1.000 0.714 CB 1.282 16 residues pruned to eliminate duplicates Z: 6 7.207 1.839 0.050 0.626 1.000 0.400 CB 1.482 6 residues pruned to eliminate duplicates Z: 13 10.483 1.847 0.152 0.784 0.917 0.667 CB 1.209 13 residues pruned to eliminate duplicates Z: 9 6.330 1.716 0.891 0.294 0.750 0.500 CB 1.158 Z: 13 18.710 1.848 0.544 0.896 0.917 0.500 CB 1.479 13 residues pruned to eliminate duplicates Z: 14 16.889 1.816 0.759 0.906 0.923 0.846 CB 1.130 14 residues pruned to eliminate duplicates Z: 14 13.336 1.767 0.603 0.770 1.000 0.692 CB 1.029 Z: 48 25.345 1.995 0.602 0.514 0.872 0.532 CB 1.308 50 residues pruned to eliminate duplicates Z: 14 14.461 1.831 0.409 0.868 1.000 0.846 CB 1.136 14 residues pruned to eliminate duplicates Z: 14 8.683 1.885 0.238 0.428 0.923 0.462 CB 1.204 14 residues pruned to eliminate duplicates Z: 6 3.028 1.426 0.525 0.297 0.600 0.400 N 1.302 Z: 15 9.051 1.971 0.495 0.346 0.714 0.429 CB 1.359 Z: 14 12.300 1.786 0.432 0.886 0.923 0.692 CB 1.042 14 residues pruned to eliminate duplicates Z: 11 12.211 1.653 0.539 0.792 0.900 0.600 CB 1.306 8 residues pruned to eliminate duplicates Z: 6 8.147 1.543 0.654 0.810 1.000 0.400 N 1.090 Z: 43 23.599 1.962 0.622 0.534 0.905 0.476 CB 1.223 42 residues pruned to eliminate duplicates Z: 12 3.140 1.682 0.405 0.272 0.636 0.273 CB 0.816 Z: 13 15.129 1.763 0.735 0.791 1.000 0.917 CB 1.106 14 residues pruned to eliminate duplicates Z: 14 16.489 1.973 0.495 0.810 1.000 0.769 CB 1.183 17 residues pruned to eliminate duplicates Z: 9 7.088 1.849 0.104 0.625 0.875 0.625 CB 1.246 Z: 21 10.843 2.003 0.168 0.380 0.900 0.400 CB 1.309 12 residues pruned to eliminate duplicates Z: 10 12.587 1.658 0.510 0.878 1.000 0.778 CB 1.217 10 residues pruned to eliminate duplicates Z: 15 15.179 1.957 0.583 0.759 0.929 0.500 CB 1.121 15 residues pruned to eliminate duplicates Z: 7 13.203 1.841 0.533 0.724 1.000 0.667 CB 1.561 10 residues pruned to eliminate duplicates Z: 11 5.423 1.860 0.093 0.391 0.800 0.500 CB 1.184 11 residues pruned to eliminate duplicates Z: 8 8.833 1.703 0.265 0.776 1.000 0.857 N 1.215 8 residues pruned to eliminate duplicates Z: 6 10.409 1.768 0.686 0.854 0.800 0.600 CA 1.442 Z: 13 16.166 1.829 0.564 0.829 1.000 0.917 CB 1.228 13 residues pruned to eliminate duplicates Z: 7 3.017 1.504 0.241 0.434 0.667 0.500 CB 1.061 Z: 8 7.271 1.775 0.271 0.663 0.857 0.429 CB 1.222 8 residues pruned to eliminate duplicates Z: 7 9.103 1.663 0.456 0.804 1.000 1.000 CB 1.177 7 residues pruned to eliminate duplicates Z: 8 15.720 1.810 0.647 0.760 1.000 0.714 O 1.582 9 residues pruned to eliminate duplicates Z: 13 21.544 1.848 0.856 0.899 1.000 0.833 CB 1.296 15 residues pruned to eliminate duplicates Z: 6 5.556 1.649 0.789 0.499 0.800 0.600 N 1.053 Z: 11 11.967 1.925 0.543 0.883 0.900 0.700 CB 1.023 11 residues pruned to eliminate duplicates Z: 13 9.559 1.731 0.461 0.768 0.833 0.500 CB 1.033 13 residues pruned to eliminate duplicates Z: 6 3.858 1.736 0.632 0.652 0.600 0.600 CB 0.881 6 residues pruned to eliminate duplicates Z: 7 7.577 1.400 0.624 0.744 1.000 0.500 CA 1.093 Z: 8 14.746 1.813 0.494 0.825 1.000 0.857 N 1.553 8 residues pruned to eliminate duplicates Z: 9 9.349 1.611 0.501 0.814 1.000 0.625 CB 1.040 9 residues pruned to eliminate duplicates Z: 18 20.631 1.860 0.525 0.839 1.000 0.588 CB 1.318 9 residues pruned to eliminate duplicates Z: 10 15.158 1.761 0.735 0.798 0.889 0.667 CB 1.433 8 residues pruned to eliminate duplicates Z: 19 8.847 1.738 0.585 0.422 0.833 0.500 CB 0.985 19 residues pruned to eliminate duplicates Z: 12 8.653 1.682 0.511 0.524 0.909 0.727 CB 1.102 Z: 8 2.013 1.576 0.095 0.341 0.571 0.286 CB 0.917 Z: 34 15.720 1.812 0.433 0.453 0.788 0.515 CB 1.404 22 residues pruned to eliminate duplicates Z: 18 8.960 1.852 0.308 0.472 0.765 0.647 CB 1.206 Z: 9 2.821 1.694 0.330 0.183 0.625 0.125 CB 1.037 Z: 8 14.845 1.833 0.779 0.855 1.000 0.714 CB 1.269 17 residues pruned to eliminate duplicates Z: 6 8.241 1.913 0.699 0.701 0.800 0.800 CB 1.180 6 residues pruned to eliminate duplicates Z: 13 12.645 1.808 0.292 0.778 1.000 0.667 CB 1.223 Z: 18 20.027 1.811 0.438 0.799 1.000 0.647 CB 1.436 22 residues pruned to eliminate duplicates Z: 8 8.231 1.525 0.844 0.662 0.857 0.429 CA 1.111 8 residues pruned to eliminate duplicates Z: 13 20.524 1.845 0.711 0.891 1.000 0.917 CB 1.349 13 residues pruned to eliminate duplicates Z: 11 18.308 1.890 0.545 0.797 1.000 0.800 CB 1.529 11 residues pruned to eliminate duplicates Z: 8 11.649 1.694 0.669 0.749 0.857 0.571 CB 1.454 8 residues pruned to eliminate duplicates Z: 17 22.681 1.819 0.645 0.811 1.000 0.750 CB 1.446 18 residues pruned to eliminate duplicates Z: 7 4.321 1.536 0.423 0.529 0.833 0.667 N 0.941 Z: 7 7.855 1.957 0.203 0.535 1.000 0.667 CB 1.316 10 residues pruned to eliminate duplicates Z: 18 14.179 1.868 0.246 0.802 0.882 0.765 CB 1.286 18 residues pruned to eliminate duplicates Z: 7 8.010 1.647 0.478 0.791 1.000 0.833 CA 1.041 Z: 21 10.561 1.799 0.597 0.355 0.800 0.500 CB 1.201 21 residues pruned to eliminate duplicates Z: 8 11.300 1.809 0.499 0.641 1.000 0.571 CB 1.381 Z: 14 8.768 1.826 0.452 0.379 0.846 0.769 CB 1.234 15 residues pruned to eliminate duplicates Z: 14 12.458 1.817 0.205 0.890 1.000 0.923 CB 1.136 14 residues pruned to eliminate duplicates Z: 8 12.042 1.773 0.614 0.811 1.000 0.857 CA 1.213 16 residues pruned to eliminate duplicates Z: 7 5.858 1.592 0.543 0.477 0.833 0.500 CB 1.196 Z: 10 6.467 1.896 0.339 0.415 0.778 0.667 CB 1.194 8 residues pruned to eliminate duplicates Z: 12 20.859 1.838 0.859 0.896 1.000 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 7 3.972 1.737 -0.141 0.498 1.000 1.000 N 1.088 Z: 13 19.632 1.923 0.718 0.836 0.833 0.750 CA 1.540 13 residues pruned to eliminate duplicates Z: 8 4.753 1.734 -0.056 0.570 0.857 0.571 CB 1.197 Z: 15 7.679 1.751 0.390 0.400 0.786 0.357 CB 1.193 Z: 11 16.476 1.941 0.800 0.900 1.000 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 6 10.927 1.809 0.964 0.857 0.800 0.800 CB 1.267 6 residues pruned to eliminate duplicates Z: 13 12.293 2.071 0.258 0.514 0.917 0.583 CB 1.466 13 residues pruned to eliminate duplicates Z: 6 4.652 1.443 0.334 0.670 0.800 0.600 CA 1.155 6 residues pruned to eliminate duplicates Z: 14 22.995 1.793 0.761 0.909 1.000 0.923 CB 1.433 14 residues pruned to eliminate duplicates Z: 16 16.378 1.961 0.552 0.849 1.000 0.867 CB 1.030 14 residues pruned to eliminate duplicates Z: 13 16.150 1.761 1.105 0.860 0.833 0.583 CB 1.110 13 residues pruned to eliminate duplicates Z: 14 23.346 1.820 0.684 0.894 1.000 0.846 N 1.515 14 residues pruned to eliminate duplicates Z: 7 4.398 1.771 0.687 0.850 0.833 0.667 CB 0.534 Z: 13 18.703 1.892 0.524 0.817 1.000 0.500 CB 1.422 12 residues pruned to eliminate duplicates Z: 8 9.049 1.748 0.746 0.653 0.857 0.857 CB 1.134 Z: 8 12.917 1.772 0.748 0.757 0.857 0.714 CB 1.464 8 residues pruned to eliminate duplicates Z: 7 9.317 1.704 0.622 0.534 1.000 0.667 O 1.331 7 residues pruned to eliminate duplicates Z: 13 7.500 1.660 0.382 0.581 1.000 0.750 CB 0.873 13 residues pruned to eliminate duplicates Z: 9 11.624 1.918 0.383 0.857 0.875 0.750 CB 1.305 9 residues pruned to eliminate duplicates Z: 7 9.461 1.687 0.659 0.873 1.000 0.833 CA 1.005 6 residues pruned to eliminate duplicates Z: 9 3.473 1.530 0.229 0.267 0.625 0.250 N 1.361 Z: 12 15.934 1.936 0.567 0.845 1.000 0.909 CB 1.177 12 residues pruned to eliminate duplicates Z: 16 11.486 1.694 0.608 0.512 0.933 0.733 CA 1.153 12 residues pruned to eliminate duplicates Z: 15 15.660 1.857 0.182 0.843 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates 6 1.837 1.473 0.256 0.297 0.600 0.600 CB 0.929 ? Z: 10 4.362 1.904 -0.039 0.628 0.889 0.556 CB 0.793 12 residues pruned to eliminate duplicates Z: 16 14.174 1.903 0.416 0.783 0.933 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 13 16.538 1.858 0.696 0.751 1.000 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 13 3.954 1.460 0.051 0.472 0.917 0.500 CB 0.835 Z: 11 13.511 1.720 0.615 0.854 0.900 0.800 O 1.262 11 residues pruned to eliminate duplicates Z: 8 5.772 1.411 0.486 0.469 0.857 0.571 N 1.252 Z: 6 6.165 1.978 0.312 0.457 0.800 0.400 CB 1.388 Z: 8 9.217 1.806 0.521 0.871 1.000 1.000 CB 0.925 8 residues pruned to eliminate duplicates Z: 9 8.691 1.762 0.273 0.676 0.875 0.750 CA 1.330 8 residues pruned to eliminate duplicates Z: 6 4.425 1.719 0.325 0.298 1.000 0.600 CB 1.089 Z: 12 6.600 1.682 0.167 0.450 0.909 0.455 CA 1.175 Z: 14 18.466 1.841 0.541 0.802 1.000 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 11 9.700 1.825 0.536 0.501 0.800 0.600 N 1.367 Z: 10 3.626 1.857 0.705 0.900 1.000 0.778 CB 0.273 10 residues pruned to eliminate duplicates Z: 11 13.518 1.795 0.279 0.896 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 6 3.688 1.423 0.243 0.836 0.800 0.800 CA 0.872 Z: 7 7.035 1.522 0.838 0.710 1.000 0.833 CB 0.849 Z: 11 24.244 2.084 0.948 0.887 1.000 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 10 12.976 1.574 0.838 0.876 1.000 1.000 CB 1.087 Z: 14 12.165 1.723 0.442 0.854 1.000 0.923 CB 1.003 14 residues pruned to eliminate duplicates Z: 6 2.199 1.701 0.308 0.297 0.400 0.400 N 1.387 Z: 10 3.074 1.473 0.444 0.238 0.667 0.444 N 0.979 6 residues pruned to eliminate duplicates Z: 19 11.607 1.767 0.589 0.493 0.889 0.556 CB 1.104 13 residues pruned to eliminate duplicates Z: 16 10.244 1.795 0.335 0.574 0.867 0.667 CB 1.186 14 residues pruned to eliminate duplicates Z: 17 13.181 1.868 0.207 0.809 0.938 0.625 CB 1.191 17 residues pruned to eliminate duplicates Z: 9 5.312 1.797 0.250 0.451 0.750 0.375 N 1.171 7 residues pruned to eliminate duplicates Z: 10 5.238 1.606 0.083 0.776 0.778 0.444 CB 1.012 10 residues pruned to eliminate duplicates Z: 14 17.640 1.997 0.664 0.598 1.000 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 21 13.163 1.918 0.439 0.434 0.750 0.350 CB 1.522 21 residues pruned to eliminate duplicates Z: 8 6.736 1.881 0.235 0.611 0.857 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 6 11.966 2.089 0.762 0.481 1.000 0.800 N 1.482 Z: 13 11.046 1.720 0.678 0.567 0.917 0.750 CB 1.130 14 residues pruned to eliminate duplicates Z: 10 10.582 1.683 0.374 0.818 1.000 0.778 CB 1.157 Z: 6 5.562 1.726 0.169 0.578 0.800 0.600 CB 1.430 Z: 14 7.275 1.429 0.479 0.485 0.923 0.385 N 1.051 Z: 8 2.908 1.393 0.598 0.246 0.714 0.571 N 0.927 Z: 10 4.120 1.664 0.389 0.263 0.778 0.556 CB 1.001 10 residues pruned to eliminate duplicates Z: 6 4.602 1.293 0.766 0.797 1.000 0.800 N 0.695 Z: 34 15.296 1.827 0.602 0.466 0.788 0.455 CB 1.195 34 residues pruned to eliminate duplicates Z: 17 11.454 1.716 0.573 0.485 0.875 0.500 CB 1.230 9 residues pruned to eliminate duplicates Z: 7 3.167 1.396 0.696 0.418 0.667 0.500 CB 0.892 Z: 13 11.284 1.987 0.334 0.569 1.000 0.917 CB 1.150 13 residues pruned to eliminate duplicates Z: 14 15.086 1.811 0.537 0.585 1.000 0.769 CA 1.385 13 residues pruned to eliminate duplicates Z: 8 7.534 1.610 0.600 0.823 1.000 0.714 N 0.835 8 residues pruned to eliminate duplicates Z: 14 20.253 1.790 0.742 0.834 0.923 0.769 N 1.463 14 residues pruned to eliminate duplicates Z: 15 17.461 1.876 0.316 0.907 1.000 0.929 CB 1.343 15 residues pruned to eliminate duplicates Z: 12 10.738 1.812 0.434 0.550 1.000 0.545 CB 1.187 6 residues pruned to eliminate duplicates Z: 15 7.622 1.630 0.333 0.457 0.929 0.714 CB 1.055 Z: 8 5.707 1.566 0.389 0.703 1.000 0.429 CB 0.824 Z: 7 4.184 1.571 0.454 0.443 0.833 0.833 CB 0.951 Z: 10 13.456 1.898 0.567 0.612 0.889 0.556 N 1.526 17 residues pruned to eliminate duplicates Z: 12 8.694 1.786 0.277 0.482 0.909 0.455 CB 1.287 Z: 13 5.767 1.576 0.453 0.384 0.750 0.500 CB 1.097 3 residues pruned to eliminate duplicates Z: 11 6.139 1.778 0.201 0.633 1.000 0.500 CB 0.803 6 residues pruned to eliminate duplicates Z: 14 8.334 1.751 0.377 0.565 0.846 0.538 CB 1.064 14 residues pruned to eliminate duplicates Z: 14 4.691 1.433 0.314 0.288 0.769 0.385 N 1.141 11 residues pruned to eliminate duplicates Z: 15 16.124 1.813 0.568 0.844 1.000 0.857 CB 1.128 17 residues pruned to eliminate duplicates Z: 6 7.092 1.958 0.344 0.489 0.800 0.400 CB 1.523 10 residues pruned to eliminate duplicates Z: 15 9.121 1.746 0.662 0.504 0.786 0.786 CB 1.065 15 residues pruned to eliminate duplicates Z: 12 10.005 1.651 0.759 0.841 1.000 0.909 CB 0.775 9 residues pruned to eliminate duplicates Z: 9 9.642 1.674 0.473 0.787 1.000 0.750 CB 1.074 9 residues pruned to eliminate duplicates Z: 13 20.703 1.856 0.726 0.903 1.000 1.000 CB 1.330 13 residues pruned to eliminate duplicates Z: 9 2.906 1.625 0.526 0.241 0.625 0.125 CB 0.894 Z: 11 15.137 1.813 1.057 0.667 1.000 0.700 CB 1.100 11 residues pruned to eliminate duplicates Z: 12 17.938 1.794 0.809 0.899 1.000 0.818 CB 1.192 12 residues pruned to eliminate duplicates Z: 8 5.250 1.599 0.240 0.806 0.857 0.571 CB 0.894 8 residues pruned to eliminate duplicates Z: 7 10.269 1.628 0.432 0.857 1.000 0.667 O 1.325 6 residues pruned to eliminate duplicates Z: 26 11.948 1.815 0.332 0.473 0.840 0.480 CB 1.210 23 residues pruned to eliminate duplicates Z: 16 10.698 1.695 0.410 0.792 1.000 0.600 CB 0.895 16 residues pruned to eliminate duplicates Z: 6 2.428 1.233 0.122 0.841 0.800 0.800 CB 0.732 Z: 16 21.812 1.920 0.506 0.737 1.000 0.733 CB 1.575 16 residues pruned to eliminate duplicates Z: 12 10.910 1.880 0.662 0.698 0.909 0.636 CB 0.966 12 residues pruned to eliminate duplicates Z: 14 14.032 1.820 0.440 0.867 1.000 0.923 CB 1.086 14 residues pruned to eliminate duplicates Z: 12 14.578 1.729 1.099 0.865 1.000 0.545 CB 0.887 12 residues pruned to eliminate duplicates Z: 8 5.697 1.577 0.840 0.580 0.857 0.571 CB 0.801 7 residues pruned to eliminate duplicates Z: 8 12.351 1.817 0.692 0.681 1.000 0.429 CB 1.286 8 residues pruned to eliminate duplicates Z: 11 13.614 1.786 0.539 0.834 1.000 0.900 CB 1.174 11 residues pruned to eliminate duplicates Z: 6 3.914 1.737 -0.083 0.830 1.000 0.800 CB 0.826 6 residues pruned to eliminate duplicates Z: 10 13.546 1.744 0.668 0.718 1.000 0.667 CB 1.274 10 residues pruned to eliminate duplicates Z: 6 5.997 1.527 0.094 0.786 1.000 0.800 CB 1.249 Z: 10 8.617 1.856 0.187 0.608 0.889 0.889 CB 1.324 10 residues pruned to eliminate duplicates Z: 7 3.276 1.547 0.459 0.510 0.667 0.333 CB 0.880 7 residues pruned to eliminate duplicates 6 1.040 1.147 0.361 0.382 0.600 0.400 N 0.563 ? Z: 8 4.405 1.506 0.149 0.684 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 6 4.476 1.727 0.301 0.612 0.800 0.400 CB 1.001 Z: 9 6.004 1.596 0.153 0.617 1.000 0.625 N 1.032 9 residues pruned to eliminate duplicates Z: 9 6.300 1.786 0.310 0.799 1.000 0.750 CB 0.733 10 residues pruned to eliminate duplicates Z: 6 2.410 1.415 0.653 0.593 0.800 0.800 CB 0.527 Z: 19 11.765 1.756 0.635 0.407 0.833 0.444 CB 1.279 16 residues pruned to eliminate duplicates Z: 10 2.489 1.432 0.489 0.235 0.667 0.444 CB 0.794 Z: 35 8.323 1.679 0.528 0.252 0.735 0.353 CB 1.006 37 residues pruned to eliminate duplicates Z: 17 18.287 1.761 0.539 0.755 0.938 0.562 CB 1.435 17 residues pruned to eliminate duplicates Z: 8 5.564 1.746 0.176 0.837 0.857 0.857 CB 0.893 8 residues pruned to eliminate duplicates Z: 10 8.706 1.791 0.702 0.766 1.000 0.889 CB 0.752 10 residues pruned to eliminate duplicates Z: 14 23.340 1.818 0.792 0.891 1.000 0.462 CB 1.429 14 residues pruned to eliminate duplicates Z: 10 11.805 1.773 0.726 0.602 0.889 0.556 CB 1.312 Z: 17 10.139 1.703 0.506 0.435 0.938 0.500 CB 1.128 16 residues pruned to eliminate duplicates Z: 28 9.241 1.676 0.281 0.451 0.704 0.296 CB 1.238 22 residues pruned to eliminate duplicates Z: 20 5.958 1.610 0.462 0.257 0.842 0.316 CB 0.911 8 residues pruned to eliminate duplicates Z: 7 7.900 1.637 0.406 0.836 1.000 0.833 CB 1.049 7 residues pruned to eliminate duplicates Z: 10 7.763 1.862 0.460 0.460 1.000 0.667 CB 0.991 10 residues pruned to eliminate duplicates Z: 6 5.337 1.410 0.675 0.666 0.800 0.600 CB 1.084 Z: 11 12.975 1.734 0.345 0.834 1.000 0.900 CB 1.319 11 residues pruned to eliminate duplicates Z: 9 6.549 1.707 0.248 0.444 0.875 0.625 N 1.315 9 residues pruned to eliminate duplicates Z: 9 11.756 1.714 0.628 0.746 1.000 0.500 CB 1.195 Z: 8 4.390 1.517 0.117 0.602 0.857 0.714 CA 1.037 Z: 6 4.096 1.539 0.140 0.770 0.800 0.600 CB 1.028 6 residues pruned to eliminate duplicates Z: 17 13.673 1.876 0.425 0.706 0.938 0.438 CB 1.131 17 residues pruned to eliminate duplicates Z: 18 23.124 1.685 1.015 0.869 0.941 0.824 CB 1.282 18 residues pruned to eliminate duplicates Z: 8 6.289 1.606 0.738 0.673 0.714 0.571 CB 1.016 8 residues pruned to eliminate duplicates Z: 15 16.579 1.850 0.710 0.745 0.929 0.500 CB 1.212 15 residues pruned to eliminate duplicates Z: 17 9.327 1.812 0.505 0.360 0.812 0.562 CB 1.223 17 residues pruned to eliminate duplicates Z: 6 7.482 1.528 0.681 0.744 1.000 0.400 N 1.047 6 residues pruned to eliminate duplicates Z: 8 2.959 1.667 -0.414 0.684 1.000 0.714 CB 0.967 Z: 15 10.225 1.728 0.442 0.535 0.929 0.643 CA 1.141 15 residues pruned to eliminate duplicates Z: 10 5.131 1.815 0.141 0.358 0.889 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 9 2.244 1.314 0.442 0.537 0.625 0.375 CB 0.646 Z: 6 6.430 1.551 0.423 0.611 1.000 0.800 N 1.173 6 residues pruned to eliminate duplicates Z: 8 9.620 1.892 0.629 0.576 0.857 0.571 CB 1.279 8 residues pruned to eliminate duplicates Z: 9 5.424 1.352 0.623 0.766 0.875 0.500 CB 0.789 Z: 19 13.691 1.862 0.092 0.727 0.944 0.778 CB 1.370 19 residues pruned to eliminate duplicates Z: 25 9.786 1.817 0.412 0.445 0.875 0.500 CB 0.941 25 residues pruned to eliminate duplicates Z: 6 3.246 1.304 0.135 0.506 1.000 0.600 C 0.974 Z: 10 3.993 1.743 0.367 0.308 0.556 0.444 CB 1.245 10 residues pruned to eliminate duplicates Z: 15 17.461 1.757 0.536 0.809 1.000 0.571 CB 1.321 17 residues pruned to eliminate duplicates Z: 10 19.003 1.927 0.895 0.678 1.000 0.778 CB 1.473 11 residues pruned to eliminate duplicates Z: 9 8.148 1.656 0.482 0.741 0.875 0.750 CB 1.081 8 residues pruned to eliminate duplicates Z: 15 6.913 1.487 0.417 0.412 0.929 0.643 CB 1.035 10 residues pruned to eliminate duplicates Z: 11 3.096 1.825 0.232 0.211 0.600 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 11 5.554 1.742 0.207 0.616 0.900 0.600 CB 0.832 11 residues pruned to eliminate duplicates Z: 48 21.140 1.878 0.633 0.558 0.872 0.447 CB 1.090 48 residues pruned to eliminate duplicates Z: 9 11.174 1.704 0.655 0.849 0.875 0.625 N 1.186 9 residues pruned to eliminate duplicates Z: 9 6.080 1.546 0.494 0.270 1.000 0.375 CA 1.209 Z: 15 7.733 1.703 0.686 0.679 0.714 0.357 CB 0.855 15 residues pruned to eliminate duplicates Z: 11 17.674 1.953 0.368 0.900 1.000 0.900 N 1.495 11 residues pruned to eliminate duplicates Z: 9 4.520 1.746 0.434 0.500 0.750 0.625 CB 0.851 9 residues pruned to eliminate duplicates Z: 16 14.524 1.998 0.204 0.834 1.000 0.867 CB 1.169 16 residues pruned to eliminate duplicates Z: 6 6.340 1.547 0.818 0.551 0.800 0.600 O 1.200 Z: 12 18.772 1.939 0.681 0.835 1.000 0.727 CB 1.300 12 residues pruned to eliminate duplicates Z: 6 3.485 1.157 0.388 0.782 1.000 0.800 O 0.757 Z: 6 6.281 1.776 0.460 0.710 0.800 0.600 CB 1.119 6 residues pruned to eliminate duplicates Z: 9 7.995 1.694 0.709 0.560 0.750 0.625 CB 1.228 Z: 23 6.112 1.740 0.156 0.384 0.727 0.455 CB 1.008 23 residues pruned to eliminate duplicates Z: 16 11.765 1.829 0.710 0.489 0.867 0.533 CB 1.133 16 residues pruned to eliminate duplicates Z: 9 3.198 1.367 0.471 0.405 1.000 0.750 CB 0.621 8 residues pruned to eliminate duplicates Z: 13 13.252 1.780 0.473 0.843 1.000 0.833 CB 1.087 13 residues pruned to eliminate duplicates Z: 14 10.074 1.798 0.587 0.461 0.769 0.462 CB 1.325 14 residues pruned to eliminate duplicates Z: 11 11.758 1.901 0.662 0.671 0.900 0.900 CB 1.117 11 residues pruned to eliminate duplicates Z: 6 6.960 1.763 0.910 0.720 0.600 0.600 CB 1.262 6 residues pruned to eliminate duplicates Z: 12 19.397 2.022 0.907 0.610 1.000 0.636 CB 1.366 12 residues pruned to eliminate duplicates Z: 9 4.156 1.675 0.277 0.271 0.625 0.250 CB 1.425 Z: 15 10.137 1.713 0.162 0.891 0.929 0.929 CB 1.054 15 residues pruned to eliminate duplicates Z: 9 9.635 1.799 0.573 0.546 0.875 0.625 CB 1.315 7 residues pruned to eliminate duplicates Z: 12 14.585 1.658 0.547 0.878 0.909 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 10 7.168 1.799 0.400 0.643 0.889 0.556 CB 0.935 9 residues pruned to eliminate duplicates Z: 8 3.560 1.758 0.062 0.317 0.714 0.571 CB 1.235 Z: 13 3.923 1.611 0.352 0.466 0.750 0.583 CB 0.717 Z: 7 4.388 1.694 0.716 0.250 0.667 0.500 CB 1.232 9 residues pruned to eliminate duplicates Z: 11 5.859 1.680 0.188 0.472 0.800 0.300 CB 1.193 Z: 13 9.766 1.694 0.836 0.445 0.750 0.500 CB 1.279 Z: 6 3.092 1.234 1.230 0.324 1.000 0.400 CB 0.610 Z: 6 4.652 1.317 0.600 0.721 1.000 0.800 N 0.808 6 residues pruned to eliminate duplicates Z: 11 14.262 1.776 0.772 0.575 0.900 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 8 8.424 1.686 0.740 0.729 1.000 0.714 CB 0.883 7 residues pruned to eliminate duplicates Z: 7 4.012 1.724 0.494 0.209 0.667 0.333 O 1.345 7 residues pruned to eliminate duplicates Z: 7 3.198 1.881 0.072 0.807 1.000 1.000 CB 0.495 Z: 9 7.813 1.769 0.177 0.695 0.875 0.625 CB 1.269 9 residues pruned to eliminate duplicates Z: 8 3.256 1.660 0.115 0.524 0.714 0.714 CB 0.909 Z: 6 4.529 1.773 0.151 0.388 1.000 0.400 N 1.118 Z: 16 11.824 1.805 0.486 0.526 1.000 0.867 CB 1.109 21 residues pruned to eliminate duplicates Z: 7 6.333 1.972 0.287 0.318 1.000 0.333 CB 1.245 7 residues pruned to eliminate duplicates Z: 6 6.000 1.464 0.360 0.690 1.000 0.600 CB 1.132 Z: 7 6.157 1.400 0.821 0.755 1.000 0.833 CB 0.786 Z: 8 6.132 1.542 0.507 0.442 0.857 0.429 CB 1.236 Z: 8 10.684 1.786 0.773 0.812 1.000 0.714 CB 0.972 8 residues pruned to eliminate duplicates Z: 9 13.760 1.634 0.815 0.833 1.000 0.625 CB 1.231 9 residues pruned to eliminate duplicates Z: 7 3.088 1.482 0.317 0.393 0.833 0.333 CB 0.868 Z: 8 8.543 1.867 0.574 0.545 0.857 0.429 N 1.226 9 residues pruned to eliminate duplicates 7 1.609 1.453 0.132 0.244 0.667 0.500 CB 0.806 ? Z: 8 4.560 1.556 0.255 0.416 1.000 0.714 CB 0.963 Z: 11 13.969 1.789 0.716 0.770 1.000 0.700 CB 1.133 11 residues pruned to eliminate duplicates Z: 7 4.753 1.541 0.550 0.559 0.833 0.500 CB 0.920 Z: 6 2.309 1.318 0.317 0.302 0.800 0.800 CB 0.927 Z: 16 10.802 1.745 0.435 0.471 0.867 0.400 CB 1.323 16 residues pruned to eliminate duplicates Z: 6 10.679 1.825 0.563 0.586 1.000 0.800 N 1.542 6 residues pruned to eliminate duplicates Z: 6 6.078 1.442 0.549 0.803 0.800 0.600 CB 1.167 6 residues pruned to eliminate duplicates Z: 6 4.682 1.507 0.179 0.486 1.000 0.600 CB 1.195 Z: 6 4.746 1.549 0.163 0.532 1.000 0.600 N 1.141 25 residues pruned to eliminate duplicates Z: 9 2.999 1.467 0.381 0.504 0.875 0.625 CB 0.596 Z: 13 10.269 1.868 0.210 0.835 1.000 0.750 CB 0.982 12 residues pruned to eliminate duplicates Z: 12 6.939 1.715 0.352 0.395 0.818 0.364 CB 1.232 8 residues pruned to eliminate duplicates Z: 9 17.886 2.060 0.459 0.838 1.000 0.750 CB 1.572 9 residues pruned to eliminate duplicates Z: 22 9.157 1.474 0.676 0.606 0.857 0.476 CB 0.854 19 residues pruned to eliminate duplicates Z: 9 4.292 1.694 0.071 0.407 0.750 0.750 CB 1.229 6 1.353 1.284 0.068 0.299 0.600 0.400 O 0.921 ? Z: 8 3.882 1.405 0.252 0.425 0.857 0.429 O 1.052 Z: 10 10.422 1.659 0.568 0.724 1.000 0.667 CB 1.091 10 residues pruned to eliminate duplicates Z: 15 17.010 1.825 0.258 0.806 1.000 0.857 CB 1.516 15 residues pruned to eliminate duplicates Z: 12 17.006 1.834 0.727 0.785 1.000 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 8 7.028 1.675 0.533 0.511 0.857 0.714 CB 1.194 Z: 13 7.666 1.761 0.011 0.798 1.000 0.833 CB 0.958 13 residues pruned to eliminate duplicates 6 1.841 1.210 0.594 0.100 0.800 0.600 O 0.890 ? Z: 9 3.735 1.588 0.303 0.214 0.750 0.375 N 1.192 Z: 9 8.924 1.975 0.005 0.892 1.000 0.875 CB 1.142 9 residues pruned to eliminate duplicates Z: 10 11.244 1.588 0.844 0.824 0.889 0.667 CB 1.088 4 residues pruned to eliminate duplicates Z: 6 4.147 1.269 0.567 0.586 0.800 0.800 N 1.074 6 residues pruned to eliminate duplicates Z: 13 15.682 1.820 0.606 0.829 1.000 0.833 CB 1.165 13 residues pruned to eliminate duplicates Z: 16 13.086 1.648 0.420 0.724 1.000 0.800 CB 1.180 13 residues pruned to eliminate duplicates Z: 10 9.265 1.417 0.885 0.859 0.889 0.778 CB 0.957 Z: 7 6.464 1.693 0.521 0.639 0.833 0.333 CB 1.080 7 residues pruned to eliminate duplicates Z: 23 23.084 1.956 0.778 0.643 0.909 0.682 CB 1.361 25 residues pruned to eliminate duplicates Z: 6 6.293 1.626 0.819 0.552 0.800 0.800 N 1.131 Z: 15 6.879 1.747 0.317 0.769 0.857 0.643 CB 0.735 15 residues pruned to eliminate duplicates Z: 9 2.763 1.519 0.725 0.403 0.750 0.375 CB 0.551 Z: 11 10.422 1.644 0.816 0.880 1.000 0.900 CB 0.800 11 residues pruned to eliminate duplicates Z: 8 5.892 1.693 0.179 0.478 0.857 0.571 N 1.331 8 residues pruned to eliminate duplicates Z: 8 7.258 1.600 0.488 0.519 0.857 0.571 CB 1.319 Z: 7 4.890 1.440 0.602 0.678 0.833 0.833 CB 0.881 10 residues pruned to eliminate duplicates Z: 7 7.267 1.877 0.340 0.685 0.833 0.833 CB 1.194 7 residues pruned to eliminate duplicates Z: 33 17.360 1.911 0.468 0.389 0.844 0.562 CB 1.459 32 residues pruned to eliminate duplicates Z: 9 2.498 1.346 0.655 0.298 0.500 0.375 CB 0.993 9 residues pruned to eliminate duplicates Z: 8 4.656 1.770 0.467 0.412 0.857 0.571 CB 0.867 6 residues pruned to eliminate duplicates Z: 7 6.709 1.784 0.568 0.617 0.833 0.833 CB 1.052 7 residues pruned to eliminate duplicates Z: 11 7.983 1.665 0.427 0.441 0.900 0.700 CB 1.255 Z: 14 13.298 1.884 0.294 0.825 0.923 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 21 11.482 1.755 0.551 0.392 0.850 0.550 CB 1.245 21 residues pruned to eliminate duplicates Z: 13 4.789 1.586 0.282 0.245 0.833 0.417 CB 1.095 6 1.566 1.280 0.177 0.443 0.600 0.400 C 0.821 ? Z: 7 2.759 1.569 0.274 0.236 0.667 0.667 CB 1.148 6 1.174 1.555 -0.075 0.375 0.600 0.400 CB 0.696 ? Z: 6 3.542 1.731 0.282 0.538 1.000 0.600 CB 0.688 Z: 10 3.869 1.512 0.535 0.457 0.778 0.333 CB 0.747 7 1.607 1.264 0.510 0.230 0.833 0.167 CB 0.565 ? Z: 9 2.961 1.522 0.337 0.352 0.750 0.625 CB 0.805 7 1.971 1.436 -0.045 0.250 0.667 0.500 O 1.173 ? Z: 8 5.309 1.426 0.495 0.616 0.857 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 13 10.728 1.848 0.203 0.832 0.917 0.667 CB 1.141 13 residues pruned to eliminate duplicates Z: 8 4.927 1.477 0.729 0.347 0.857 0.429 CB 1.005 8 residues pruned to eliminate duplicates Z: 8 3.826 1.729 0.056 0.375 0.857 0.429 CB 1.056 7 residues pruned to eliminate duplicates Z: 7 2.681 1.462 0.352 0.206 0.667 0.167 N 1.176 Z: 19 12.885 1.605 0.636 0.633 1.000 0.722 CB 1.021 31 residues pruned to eliminate duplicates Z: 7 3.388 1.402 0.457 0.359 0.667 0.667 N 1.183 Z: 14 15.661 1.743 0.757 0.854 0.846 0.538 CB 1.237 14 residues pruned to eliminate duplicates 6 0.976 1.116 0.342 0.482 0.800 0.800 N 0.371 ? Z: 17 9.964 1.793 0.419 0.353 0.875 0.375 CB 1.311 13 residues pruned to eliminate duplicates Z: 6 11.348 1.631 1.085 0.856 1.000 0.600 CA 1.100 Z: 9 10.255 1.602 0.635 0.830 1.000 0.750 N 1.041 8 residues pruned to eliminate duplicates Z: 13 6.554 1.628 0.661 0.352 0.833 0.500 CB 0.986 13 residues pruned to eliminate duplicates Z: 15 14.501 1.915 0.630 0.504 0.929 0.643 CB 1.332 15 residues pruned to eliminate duplicates Z: 21 7.365 1.667 0.430 0.271 0.850 0.450 CB 1.053 20 residues pruned to eliminate duplicates Z: 6 5.103 1.513 0.623 0.619 0.800 0.400 N 1.037 Z: 14 20.465 1.894 0.421 0.905 1.000 0.923 CA 1.500 14 residues pruned to eliminate duplicates Z: 9 2.735 1.656 -0.002 0.310 0.625 0.375 CB 1.156 Z: 25 17.355 1.869 0.529 0.552 1.000 0.750 CB 1.178 33 residues pruned to eliminate duplicates Z: 7 4.073 1.669 0.122 0.527 0.833 0.833 N 1.038 Z: 13 12.727 1.802 0.324 0.799 1.000 0.917 CB 1.185 13 residues pruned to eliminate duplicates 7 1.711 1.273 -0.023 0.391 0.833 0.333 CB 0.756 ? Z: 12 6.463 1.763 1.073 0.512 0.818 0.636 CB 0.644 6 residues pruned to eliminate duplicates Z: 8 10.092 1.910 0.276 0.631 0.857 0.571 CB 1.614 8 residues pruned to eliminate duplicates Z: 9 2.540 1.270 0.481 0.328 0.625 0.500 CB 0.922 7 residues pruned to eliminate duplicates Z: 13 9.112 1.827 0.341 0.738 1.000 0.667 CB 0.867 13 residues pruned to eliminate duplicates Z: 9 15.192 1.745 0.994 0.834 1.000 0.875 CB 1.157 9 residues pruned to eliminate duplicates Z: 7 2.502 1.499 0.266 0.247 0.667 0.333 N 1.081 Z: 9 6.323 1.584 0.561 0.502 0.875 0.750 CB 1.031 9 residues pruned to eliminate duplicates Z: 7 4.132 1.777 -0.245 0.504 1.000 0.667 CB 1.252 Z: 14 5.825 1.645 0.199 0.429 0.769 0.385 CB 1.146 Z: 21 8.505 1.788 0.339 0.242 0.800 0.350 CB 1.339 21 residues pruned to eliminate duplicates Z: 13 3.708 1.627 0.156 0.358 0.750 0.417 CB 0.885 Z: 6 3.210 1.627 0.041 0.672 0.800 0.600 CB 0.904 Z: 6 5.616 1.539 0.235 0.849 1.000 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 7 6.479 1.468 0.752 0.487 0.833 0.500 CB 1.250 Z: 16 12.897 1.889 0.552 0.841 0.933 0.667 CB 0.907 16 residues pruned to eliminate duplicates Z: 6 4.004 1.107 1.340 0.835 1.000 1.000 CB 0.518 Z: 10 3.341 1.549 0.589 0.210 0.667 0.444 CB 0.956 9 residues pruned to eliminate duplicates Z: 13 10.576 1.551 0.893 0.884 0.917 0.917 CB 0.820 13 residues pruned to eliminate duplicates Z: 7 3.729 1.523 0.007 0.512 1.000 0.833 CB 0.981 Z: 6 2.199 1.464 0.367 0.339 0.600 0.600 CB 0.976 Z: 20 9.438 1.659 0.335 0.628 0.895 0.684 CB 0.968 20 residues pruned to eliminate duplicates Z: 7 7.609 1.644 1.053 0.726 0.833 0.833 CB 0.901 Z: 6 3.501 1.379 0.694 0.559 1.000 0.800 N 0.633 Z: 6 3.971 1.503 0.310 0.572 1.000 0.400 CB 0.841 Z: 8 9.739 1.468 1.132 0.564 1.000 0.714 O 1.105 7 residues pruned to eliminate duplicates Z: 11 5.495 1.655 0.395 0.446 0.800 0.400 CB 0.994 9 residues pruned to eliminate duplicates 9 1.440 1.554 0.082 0.191 0.500 0.375 CB 0.876 ? 9 1.723 1.398 0.356 0.163 0.625 0.375 CB 0.775 ? Z: 8 3.473 1.236 0.528 0.432 0.857 0.571 CB 0.870 8 residues pruned to eliminate duplicates Z: 6 6.571 1.780 0.508 0.492 1.000 0.400 CB 1.103 6 residues pruned to eliminate duplicates 8 1.819 1.355 0.610 0.209 0.571 0.429 CB 0.778 ? 8 1.513 1.255 0.535 0.401 0.857 0.429 CB 0.384 ? Z: 15 19.369 1.808 0.737 0.747 0.857 0.500 CB 1.542 15 residues pruned to eliminate duplicates Z: 10 13.737 1.593 0.662 0.866 0.889 0.222 CB 1.424 10 residues pruned to eliminate duplicates Z: 7 2.366 1.452 0.395 0.266 0.667 0.333 CB 0.934 Z: 45 22.284 1.967 0.473 0.534 0.909 0.568 CB 1.234 45 residues pruned to eliminate duplicates Z: 19 13.698 1.602 0.706 0.634 1.000 0.778 CB 1.042 19 residues pruned to eliminate duplicates Z: 9 2.789 1.289 0.386 0.155 0.875 0.500 CB 0.963 5 residues pruned to eliminate duplicates Z: 6 2.743 1.415 0.231 0.543 1.000 0.800 CB 0.675 Z: 8 4.411 1.590 0.543 0.832 1.000 0.571 CB 0.510 Z: 14 7.548 1.667 0.540 0.565 0.769 0.615 CB 0.996 14 residues pruned to eliminate duplicates Z: 12 20.051 1.843 0.749 0.881 0.909 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 19 9.976 1.816 0.330 0.407 0.889 0.444 CB 1.207 19 residues pruned to eliminate duplicates Z: 10 2.824 1.586 -0.196 0.267 1.000 0.778 CB 0.962 Z: 6 6.147 1.817 0.086 0.750 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 11 5.932 1.509 0.522 0.392 0.800 0.500 CB 1.145 Z: 11 5.754 1.403 0.506 0.414 0.800 0.600 C 1.178 Z: 9 4.409 1.653 0.251 0.478 0.875 0.625 CB 0.881 6 residues pruned to eliminate duplicates Z: 18 6.263 1.476 0.548 0.517 0.765 0.529 CB 0.855 18 residues pruned to eliminate duplicates Z: 13 6.485 1.313 0.469 0.769 0.833 0.583 CB 0.917 8 residues pruned to eliminate duplicates Z: 16 16.187 1.909 0.508 0.846 0.933 0.867 CB 1.156 25 residues pruned to eliminate duplicates Z: 6 2.388 1.205 0.575 0.297 1.000 0.800 CB 0.706 Z: 10 5.183 1.507 0.633 0.345 0.889 0.444 CB 0.934 7 1.920 1.529 -0.237 0.392 0.833 0.667 CB 0.904 ? Z: 22 17.872 1.930 0.465 0.645 0.857 0.667 CB 1.407 22 residues pruned to eliminate duplicates Z: 9 6.289 1.675 0.393 0.658 1.000 0.500 CB 0.823 9 residues pruned to eliminate duplicates Z: 14 6.873 1.594 0.315 0.474 0.923 0.538 CB 1.012 5 residues pruned to eliminate duplicates Z: 10 10.701 1.698 0.855 0.592 0.889 0.778 CA 1.167 10 residues pruned to eliminate duplicates Z: 9 7.423 1.661 0.055 0.698 1.000 0.625 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 2.436 1.613 0.213 0.237 0.800 0.600 CB 0.944 Z: 8 8.606 1.842 0.156 0.758 1.000 0.429 CB 1.214 8 residues pruned to eliminate duplicates Z: 13 10.957 1.814 0.202 0.861 1.000 0.750 CB 1.066 13 residues pruned to eliminate duplicates Z: 10 4.624 1.428 0.239 0.378 0.889 0.333 CB 1.117 6 residues pruned to eliminate duplicates Z: 7 2.140 1.321 0.401 0.229 0.833 0.333 CB 0.777 Z: 6 4.767 1.710 0.534 0.433 1.000 0.800 CB 0.871 Z: 8 3.390 1.169 0.972 0.314 0.857 0.714 CB 0.796 Z: 13 12.695 1.777 0.346 0.806 0.833 0.583 CB 1.407 13 residues pruned to eliminate duplicates 6 1.913 1.695 0.141 0.335 0.600 0.600 CB 0.883 ? Z: 20 18.459 1.917 0.655 0.636 0.895 0.684 CB 1.314 20 residues pruned to eliminate duplicates Z: 15 10.617 1.586 0.447 0.653 0.929 0.786 CB 1.155 9 residues pruned to eliminate duplicates Z: 7 8.286 1.455 0.703 0.804 1.000 0.500 CB 1.047 9 residues pruned to eliminate duplicates Z: 10 4.585 1.640 0.169 0.701 0.889 0.778 CB 0.747 10 residues pruned to eliminate duplicates Z: 7 4.855 1.499 0.739 0.269 0.833 0.333 CA 1.187 Z: 6 5.837 1.489 0.681 0.666 0.800 0.800 CB 1.119 Z: 7 2.505 1.440 0.244 0.271 1.000 0.667 CB 0.740 Z: 13 17.172 1.862 0.779 0.788 0.917 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 9 2.439 1.494 0.217 0.325 0.500 0.375 CB 1.149 8 1.560 1.225 0.093 0.213 0.714 0.429 CB 0.865 ? Z: 8 6.296 1.515 0.717 0.346 0.857 0.571 N 1.261 Z: 10 3.266 1.521 0.068 0.326 0.778 0.556 CB 1.043 7 residues pruned to eliminate duplicates Z: 23 9.683 1.663 0.330 0.526 0.864 0.591 CB 1.054 20 residues pruned to eliminate duplicates Z: 8 10.557 1.661 0.455 0.850 1.000 0.714 CB 1.223 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 10.969 1.657 0.387 0.854 0.933 0.733 CB 0.975 16 residues pruned to eliminate duplicates Z: 21 13.905 1.794 0.560 0.605 0.900 0.500 CB 1.117 22 residues pruned to eliminate duplicates Z: 18 19.080 1.759 0.651 0.882 0.941 0.824 CB 1.225 18 residues pruned to eliminate duplicates Z: 9 9.126 1.806 0.524 0.665 0.875 0.750 CB 1.149 Z: 17 18.221 1.814 0.774 0.723 0.875 0.688 CB 1.323 26 residues pruned to eliminate duplicates Z: 10 10.651 1.880 0.667 0.659 0.889 0.556 CB 1.100 10 residues pruned to eliminate duplicates Z: 13 22.691 1.965 0.734 0.870 1.000 0.750 CB 1.404 13 residues pruned to eliminate duplicates Z: 10 10.273 1.768 0.621 0.584 0.778 0.444 N 1.418 10 residues pruned to eliminate duplicates Z: 11 18.429 1.851 0.702 0.784 1.000 0.600 CB 1.440 11 residues pruned to eliminate duplicates Z: 14 18.080 1.769 0.813 0.659 0.923 0.538 CB 1.461 14 residues pruned to eliminate duplicates Z: 13 16.389 1.893 0.600 0.808 1.000 0.583 CB 1.194 13 residues pruned to eliminate duplicates Z: 14 15.787 1.911 0.540 0.818 0.923 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 12 18.713 1.934 0.637 0.888 1.000 1.000 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 18.001 1.810 0.861 0.688 0.923 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 12 18.589 1.855 0.873 0.770 0.909 0.455 CB 1.398 12 residues pruned to eliminate duplicates Z: 6 5.220 1.339 0.879 0.623 1.000 0.800 CB 0.826 Z: 13 9.861 1.821 0.440 0.553 0.833 0.417 CB 1.237 12 residues pruned to eliminate duplicates Z: 7 7.301 1.489 0.805 0.571 0.833 0.500 CA 1.243 8 residues pruned to eliminate duplicates Z: 6 6.132 1.749 0.198 0.409 1.000 0.400 N 1.440 Z: 7 4.906 1.415 0.515 0.435 1.000 0.167 N 0.999 Z: 10 3.921 1.306 0.480 0.682 0.667 0.444 CB 0.859 8 residues pruned to eliminate duplicates 7 1.681 1.265 0.198 0.556 0.667 0.167 CB 0.643 ? Z: 7 11.965 1.883 0.680 0.725 1.000 0.333 CB 1.260 7 residues pruned to eliminate duplicates Z: 8 13.315 1.753 0.660 0.789 1.000 0.857 CB 1.342 8 residues pruned to eliminate duplicates Z: 10 8.477 1.833 0.561 0.416 0.778 0.667 CA 1.387 9 residues pruned to eliminate duplicates Z: 6 14.963 2.010 0.814 0.756 1.000 0.800 CB 1.461 8 residues pruned to eliminate duplicates Z: 6 8.168 1.979 0.375 0.699 0.800 0.600 CB 1.398 6 residues pruned to eliminate duplicates Z: 15 12.512 1.931 0.299 0.471 1.000 0.714 CB 1.373 24 residues pruned to eliminate duplicates Z: 7 9.492 2.013 0.771 0.344 1.000 0.667 CA 1.288 8 residues pruned to eliminate duplicates Z: 12 12.006 1.816 0.541 0.772 0.909 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 12 13.764 1.792 0.620 0.694 1.000 0.636 CB 1.197 10 residues pruned to eliminate duplicates Z: 12 14.866 1.836 0.688 0.819 0.909 0.727 CB 1.206 14 residues pruned to eliminate duplicates Z: 12 14.280 1.794 0.619 0.811 0.909 0.455 CB 1.244 12 residues pruned to eliminate duplicates Z: 13 15.245 1.777 0.673 0.696 0.917 0.500 CB 1.350 11 residues pruned to eliminate duplicates Z: 11 12.821 1.759 0.896 0.819 0.800 0.500 CB 1.152 11 residues pruned to eliminate duplicates Z: 8 3.870 1.591 0.607 0.364 0.714 0.143 CB 0.927 8 residues pruned to eliminate duplicates Z: 14 15.620 1.717 0.693 0.653 0.923 0.462 CB 1.400 14 residues pruned to eliminate duplicates Z: 7 8.868 1.750 0.735 0.525 1.000 0.333 CB 1.163 7 residues pruned to eliminate duplicates Z: 13 9.153 1.705 0.486 0.480 0.917 0.417 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 7.202 1.793 0.321 0.652 1.000 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 12 9.457 1.695 0.595 0.521 0.818 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 11 9.912 1.617 0.661 0.622 0.900 0.700 CB 1.155 9 residues pruned to eliminate duplicates Z: 8 8.409 1.550 0.689 0.746 0.857 0.571 N 1.137 11 residues pruned to eliminate duplicates Z: 9 8.112 1.454 0.596 0.663 0.875 0.500 N 1.214 9 residues pruned to eliminate duplicates Z: 9 5.393 1.731 0.562 0.474 0.750 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 6 6.562 1.702 0.208 0.534 1.000 1.000 CA 1.379 5 residues pruned to eliminate duplicates Z: 7 8.811 1.571 0.678 0.685 1.000 0.500 CB 1.151 7 residues pruned to eliminate duplicates Z: 6 3.248 1.808 0.208 0.266 0.800 0.400 CB 1.086 6 residues pruned to eliminate duplicates Z: 11 4.919 1.596 0.333 0.462 0.800 0.500 CB 0.951 11 residues pruned to eliminate duplicates Z: 10 9.601 1.626 0.446 0.532 1.000 0.778 CB 1.318 16 residues pruned to eliminate duplicates Z: 8 8.202 1.346 0.563 0.870 1.000 1.000 N 1.076 8 residues pruned to eliminate duplicates Z: 8 4.789 1.434 0.463 0.528 0.857 0.429 CB 0.979 8 residues pruned to eliminate duplicates Z: 6 2.311 1.407 0.313 0.566 0.600 0.400 CB 0.875 Z: 9 4.943 1.439 0.254 0.632 1.000 0.750 CB 0.855 6 residues pruned to eliminate duplicates Z: 11 11.396 1.822 0.080 0.905 1.000 0.800 CB 1.303 11 residues pruned to eliminate duplicates Z: 11 7.073 1.629 0.111 0.648 1.000 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 12 9.082 1.709 0.591 0.524 0.818 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 19 13.923 1.777 0.507 0.721 0.944 0.778 CB 1.063 19 residues pruned to eliminate duplicates Z: 16 9.373 1.790 0.257 0.746 0.867 0.667 CB 0.996 16 residues pruned to eliminate duplicates Z: 15 11.214 1.822 0.337 0.796 0.929 0.786 CB 1.022 15 residues pruned to eliminate duplicates Z: 16 11.897 1.793 0.518 0.739 0.867 0.867 CB 1.051 16 residues pruned to eliminate duplicates Z: 15 12.058 1.781 0.593 0.752 0.929 0.714 CB 0.977 15 residues pruned to eliminate duplicates Z: 15 11.177 1.819 0.423 0.722 0.929 0.643 CB 1.017 15 residues pruned to eliminate duplicates Z: 15 9.961 1.836 0.418 0.763 0.857 0.714 CB 0.944 15 residues pruned to eliminate duplicates Z: 12 11.513 1.809 0.707 0.650 0.909 0.364 CB 1.075 12 residues pruned to eliminate duplicates Z: 25 15.615 1.714 0.574 0.506 0.958 0.542 CB 1.226 14 residues pruned to eliminate duplicates Z: 15 13.171 1.760 0.534 0.798 1.000 0.714 CB 1.004 15 residues pruned to eliminate duplicates Z: 11 10.614 1.609 0.486 0.712 1.000 0.700 CB 1.158 8 residues pruned to eliminate duplicates Z: 10 9.714 1.586 0.525 0.791 0.889 0.778 CB 1.167 10 residues pruned to eliminate duplicates Z: 11 10.054 1.590 0.576 0.715 0.900 0.700 CB 1.161 11 residues pruned to eliminate duplicates Z: 12 8.523 1.600 0.500 0.615 0.818 0.636 CB 1.173 12 residues pruned to eliminate duplicates Z: 9 5.423 1.589 0.570 0.553 0.750 0.500 N 0.973 9 residues pruned to eliminate duplicates Z: 11 8.557 1.632 0.370 0.593 0.900 0.500 CB 1.230 11 residues pruned to eliminate duplicates Z: 11 10.621 1.614 0.722 0.705 0.800 0.300 CB 1.254 11 residues pruned to eliminate duplicates Z: 14 14.289 1.578 0.594 0.796 1.000 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 12 7.261 1.575 0.430 0.701 0.727 0.364 CB 1.113 12 residues pruned to eliminate duplicates Z: 7 5.971 1.380 0.481 0.659 1.000 0.833 CB 1.030 7 residues pruned to eliminate duplicates Z: 7 5.046 1.478 0.338 0.737 1.000 0.500 CB 0.842 7 residues pruned to eliminate duplicates Z: 9 3.925 1.387 0.508 0.485 0.625 0.250 CB 1.079 9 residues pruned to eliminate duplicates Z: 6 3.787 1.426 0.881 0.303 0.800 0.200 CB 0.984 Z: 8 6.290 1.563 0.639 0.585 0.857 0.429 CB 0.999 6 residues pruned to eliminate duplicates Z: 7 2.571 1.532 0.132 0.375 0.833 0.500 CB 0.831 7 residues pruned to eliminate duplicates Z: 7 2.679 1.599 0.362 0.268 0.667 0.667 CB 0.980 Z: 6 3.448 1.229 0.569 0.460 1.000 0.800 O 0.833 4 residues pruned to eliminate duplicates Z: 18 20.221 1.877 0.506 0.768 1.000 0.706 CB 1.368 49 residues pruned to eliminate duplicates Z: 17 21.441 1.974 0.516 0.737 1.000 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 30 17.159 1.946 0.478 0.489 0.966 0.655 CB 1.161 30 residues pruned to eliminate duplicates Z: 35 17.237 1.905 0.445 0.454 0.941 0.500 CB 1.196 35 residues pruned to eliminate duplicates Z: 29 19.773 1.993 0.396 0.531 0.964 0.679 CB 1.352 29 residues pruned to eliminate duplicates Z: 22 18.459 2.047 0.526 0.533 0.952 0.524 CB 1.311 22 residues pruned to eliminate duplicates Z: 31 19.336 1.947 0.447 0.528 0.967 0.633 CB 1.260 31 residues pruned to eliminate duplicates Z: 27 17.906 2.014 0.445 0.565 0.923 0.692 CB 1.227 27 residues pruned to eliminate duplicates Z: 18 19.388 2.088 0.669 0.579 0.941 0.706 CB 1.329 18 residues pruned to eliminate duplicates Z: 24 18.865 1.995 0.571 0.516 0.957 0.435 CB 1.292 24 residues pruned to eliminate duplicates Z: 27 20.552 2.000 0.527 0.504 1.000 0.538 CB 1.314 27 residues pruned to eliminate duplicates Z: 24 20.017 2.034 0.704 0.538 0.913 0.696 CB 1.270 24 residues pruned to eliminate duplicates Z: 22 17.112 2.035 0.456 0.525 0.952 0.476 CB 1.292 22 residues pruned to eliminate duplicates Z: 30 16.244 1.959 0.464 0.439 0.862 0.552 CB 1.300 30 residues pruned to eliminate duplicates Z: 32 19.611 1.935 0.606 0.529 0.903 0.387 CB 1.219 30 residues pruned to eliminate duplicates Z: 7 5.913 1.748 0.223 0.608 1.000 0.833 CB 1.018 7 residues pruned to eliminate duplicates Z: 27 20.042 2.005 0.571 0.619 0.923 0.538 CB 1.209 27 residues pruned to eliminate duplicates Z: 29 17.586 1.989 0.599 0.557 0.821 0.464 CB 1.203 29 residues pruned to eliminate duplicates Z: 27 15.811 1.962 0.489 0.517 0.846 0.577 CB 1.234 27 residues pruned to eliminate duplicates Z: 29 18.352 1.909 0.562 0.579 0.964 0.571 CB 1.117 29 residues pruned to eliminate duplicates Z: 20 4.315 1.769 0.461 0.240 0.632 0.316 CB 0.819 20 residues pruned to eliminate duplicates Z: 24 16.297 1.973 0.396 0.426 0.870 0.435 CB 1.532 24 residues pruned to eliminate duplicates Z: 18 18.331 2.058 0.365 0.451 1.000 0.647 CB 1.664 18 residues pruned to eliminate duplicates Z: 31 12.655 1.898 0.488 0.358 0.800 0.567 CB 1.192 31 residues pruned to eliminate duplicates Z: 48 25.462 2.028 0.542 0.495 0.872 0.511 CB 1.369 48 residues pruned to eliminate duplicates Z: 31 12.125 1.863 0.227 0.343 0.867 0.367 CB 1.325 31 residues pruned to eliminate duplicates Z: 29 14.521 1.971 0.339 0.396 0.857 0.464 CB 1.354 29 residues pruned to eliminate duplicates Z: 25 18.702 1.967 0.462 0.442 0.958 0.583 CB 1.471 25 residues pruned to eliminate duplicates Z: 44 21.369 1.958 0.493 0.481 0.814 0.442 CB 1.397 44 residues pruned to eliminate duplicates Z: 24 11.065 1.862 0.310 0.336 0.826 0.522 CB 1.370 24 residues pruned to eliminate duplicates Z: 57 24.533 1.945 0.458 0.516 0.893 0.625 CB 1.274 57 residues pruned to eliminate duplicates Z: 20 13.217 2.004 0.388 0.440 0.842 0.579 CB 1.376 20 residues pruned to eliminate duplicates Z: 20 15.231 2.035 0.416 0.436 0.895 0.579 CB 1.448 20 residues pruned to eliminate duplicates Z: 21 11.504 1.911 0.237 0.390 0.900 0.600 CB 1.359 21 residues pruned to eliminate duplicates Z: 21 15.710 1.955 0.531 0.435 0.850 0.500 CB 1.477 21 residues pruned to eliminate duplicates Z: 21 13.486 2.028 0.308 0.406 0.850 0.400 CB 1.476 21 residues pruned to eliminate duplicates Z: 21 12.835 1.987 0.228 0.431 0.850 0.550 CB 1.487 21 residues pruned to eliminate duplicates Z: 28 14.976 1.933 0.423 0.390 0.815 0.444 CB 1.444 28 residues pruned to eliminate duplicates Z: 28 17.950 1.934 0.402 0.459 0.963 0.519 CB 1.380 28 residues pruned to eliminate duplicates Z: 25 14.695 1.985 0.335 0.417 0.833 0.417 CB 1.481 25 residues pruned to eliminate duplicates Z: 38 19.524 1.937 0.482 0.487 0.892 0.622 CB 1.270 38 residues pruned to eliminate duplicates Z: 28 17.387 1.897 0.571 0.412 0.852 0.556 CB 1.447 28 residues pruned to eliminate duplicates Z: 10 17.156 1.801 0.887 0.741 1.000 0.556 CB 1.356 11 residues pruned to eliminate duplicates Z: 6 5.664 1.782 0.707 0.566 0.600 0.200 CB 1.302 6 residues pruned to eliminate duplicates Z: 36 13.337 1.840 0.432 0.408 0.886 0.486 CB 1.064 36 residues pruned to eliminate duplicates Z: 33 17.944 1.878 0.492 0.407 0.938 0.562 CB 1.331 33 residues pruned to eliminate duplicates Z: 13 7.589 1.722 0.363 0.379 0.833 0.500 CB 1.275 11 residues pruned to eliminate duplicates Z: 7 6.134 1.571 0.549 0.692 1.000 0.500 CB 0.863 7 residues pruned to eliminate duplicates Z: 17 7.305 1.687 0.214 0.479 1.000 0.562 CB 0.910 13 residues pruned to eliminate duplicates Z: 9 11.746 1.724 0.400 0.740 1.000 0.500 CB 1.387 9 residues pruned to eliminate duplicates Z: 10 4.719 1.706 0.167 0.521 0.889 0.889 CB 0.870 10 residues pruned to eliminate duplicates Z: 24 8.248 1.725 0.276 0.406 0.913 0.435 CB 0.945 24 residues pruned to eliminate duplicates Z: 11 6.053 1.716 0.485 0.521 0.900 0.500 CB 0.818 11 residues pruned to eliminate duplicates Z: 30 7.757 1.739 0.354 0.390 0.897 0.379 CB 0.767 53 residues pruned to eliminate duplicates Z: 23 9.455 1.790 0.107 0.588 1.000 0.500 CB 0.935 29 residues pruned to eliminate duplicates Z: 17 4.446 1.649 0.188 0.285 0.812 0.500 CB 0.889 10 residues pruned to eliminate duplicates Z: 6 4.728 1.386 0.945 0.406 0.800 0.400 CA 1.082 6 residues pruned to eliminate duplicates Z: 9 4.207 1.758 0.524 0.165 0.750 0.375 CB 1.113 9 residues pruned to eliminate duplicates Z: 16 7.261 1.796 0.452 0.181 0.867 0.467 CB 1.217 12 residues pruned to eliminate duplicates Z: 7 2.865 1.368 0.496 0.330 0.833 0.500 CA 0.826 7 residues pruned to eliminate duplicates Z: 16 5.618 1.732 0.426 0.231 0.867 0.533 CB 0.928 16 residues pruned to eliminate duplicates Z: 17 7.811 1.803 0.869 0.145 0.812 0.500 CB 1.107 17 residues pruned to eliminate duplicates Z: 12 5.423 1.836 0.426 0.130 0.909 0.455 CB 1.090 12 residues pruned to eliminate duplicates Z: 16 6.560 1.772 0.370 0.259 0.800 0.267 CB 1.150 16 residues pruned to eliminate duplicates Z: 13 5.181 1.803 0.411 0.154 0.750 0.250 CB 1.199 13 residues pruned to eliminate duplicates Z: 18 6.783 1.761 0.412 0.203 0.882 0.353 CB 1.067 18 residues pruned to eliminate duplicates Z: 22 6.347 1.643 0.682 0.185 0.810 0.190 CB 0.904 22 residues pruned to eliminate duplicates Z: 19 8.518 1.804 0.657 0.209 0.833 0.389 CB 1.137 19 residues pruned to eliminate duplicates Z: 15 11.282 1.833 0.512 0.523 0.929 0.714 CB 1.145 14 residues pruned to eliminate duplicates Z: 11 12.976 1.728 0.624 0.758 0.900 0.700 N 1.291 12 residues pruned to eliminate duplicates Z: 9 10.170 1.686 0.848 0.835 1.000 0.500 CB 0.864 9 residues pruned to eliminate duplicates Z: 14 12.495 1.831 0.884 0.524 0.923 0.538 CB 1.063 14 residues pruned to eliminate duplicates Z: 14 11.135 1.815 0.844 0.492 0.846 0.308 CB 1.100 14 residues pruned to eliminate duplicates Z: 16 10.787 1.738 0.666 0.460 0.933 0.533 CB 1.074 16 residues pruned to eliminate duplicates Z: 16 10.337 1.880 0.654 0.453 0.867 0.400 CB 1.040 16 residues pruned to eliminate duplicates Z: 10 4.330 1.595 0.186 0.341 0.889 0.222 CB 1.021 Z: 11 10.335 1.601 0.549 0.649 1.000 0.800 CA 1.147 7 residues pruned to eliminate duplicates Z: 9 5.024 1.218 0.603 0.786 1.000 0.625 CB 0.707 9 residues pruned to eliminate duplicates Z: 16 12.140 1.758 0.408 0.424 0.933 0.533 N 1.469 16 residues pruned to eliminate duplicates Z: 8 9.500 1.734 0.115 0.790 1.000 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 15 9.130 1.701 0.511 0.432 0.786 0.500 CB 1.297 15 residues pruned to eliminate duplicates Z: 18 11.433 1.716 0.709 0.387 0.941 0.471 CB 1.132 16 residues pruned to eliminate duplicates Z: 7 14.018 1.907 0.849 0.669 1.000 0.833 CA 1.388 7 residues pruned to eliminate duplicates Z: 13 13.018 1.850 0.662 0.486 1.000 0.667 CB 1.240 13 residues pruned to eliminate duplicates Z: 10 9.945 1.875 0.727 0.336 0.778 0.444 CB 1.575 10 residues pruned to eliminate duplicates Z: 7 6.138 1.642 0.721 0.647 0.833 0.667 CB 0.928 7 residues pruned to eliminate duplicates Z: 15 7.922 1.672 0.418 0.448 0.857 0.500 CB 1.100 15 residues pruned to eliminate duplicates Z: 11 8.339 1.606 0.462 0.643 0.900 0.700 CB 1.092 11 residues pruned to eliminate duplicates Z: 10 8.018 1.665 0.461 0.616 0.889 0.778 CB 1.107 10 residues pruned to eliminate duplicates Z: 10 6.522 1.611 0.495 0.682 0.778 0.444 CB 0.982 10 residues pruned to eliminate duplicates Z: 11 6.304 1.614 0.323 0.661 0.900 0.400 CB 0.894 11 residues pruned to eliminate duplicates Z: 10 7.963 1.693 0.412 0.684 0.889 0.556 CB 1.055 10 residues pruned to eliminate duplicates Z: 8 8.511 1.595 0.491 0.765 1.000 0.714 CA 1.069 8 residues pruned to eliminate duplicates Z: 7 2.893 1.597 0.185 0.271 0.667 0.333 CB 1.214 7 residues pruned to eliminate duplicates Z: 13 6.914 1.647 0.236 0.555 0.833 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 15 10.892 1.581 0.455 0.513 1.000 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 11 4.158 1.546 0.167 0.459 0.700 0.200 N 1.085 11 residues pruned to eliminate duplicates Z: 15 6.976 1.595 0.335 0.309 0.857 0.357 CB 1.263 15 residues pruned to eliminate duplicates Z: 10 6.229 1.574 0.666 0.491 0.667 0.444 CB 1.198 10 residues pruned to eliminate duplicates Z: 19 9.776 1.596 0.585 0.565 0.833 0.500 CB 1.027 19 residues pruned to eliminate duplicates Z: 21 9.788 1.613 0.389 0.560 0.850 0.600 CB 1.084 33 residues pruned to eliminate duplicates Z: 15 10.643 1.605 0.525 0.710 0.929 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 10 12.055 1.686 0.924 0.793 0.889 0.667 CB 1.078 10 residues pruned to eliminate duplicates Z: 12 11.137 1.625 0.720 0.682 0.909 0.636 N 1.118 12 residues pruned to eliminate duplicates Z: 7 6.061 1.626 0.936 0.698 0.833 0.667 CB 0.787 7 residues pruned to eliminate duplicates Z: 11 8.699 1.666 0.653 0.718 0.800 0.300 CB 1.026 11 residues pruned to eliminate duplicates Z: 10 5.609 1.681 0.511 0.395 0.889 0.556 CB 0.925 10 residues pruned to eliminate duplicates Z: 24 12.036 1.672 0.697 0.552 0.913 0.609 CB 0.920 24 residues pruned to eliminate duplicates Z: 16 10.382 1.670 0.588 0.586 0.933 0.600 CB 0.998 16 residues pruned to eliminate duplicates Z: 8 7.675 1.690 0.705 0.513 1.000 0.286 CB 0.994 8 residues pruned to eliminate duplicates Z: 9 4.662 1.680 0.366 0.437 0.875 0.500 CB 0.876 9 residues pruned to eliminate duplicates Z: 8 2.629 1.482 0.133 0.204 1.000 0.143 CB 0.841 8 residues pruned to eliminate duplicates Z: 15 6.018 1.645 0.319 0.328 0.929 0.429 CB 0.964 15 residues pruned to eliminate duplicates Z: 7 6.307 1.647 0.653 0.452 0.833 0.500 N 1.193 6 residues pruned to eliminate duplicates Z: 6 6.217 1.708 0.688 0.698 0.800 0.400 N 1.007 6 residues pruned to eliminate duplicates Z: 30 7.265 1.657 0.389 0.320 0.655 0.414 CB 1.091 29 residues pruned to eliminate duplicates Z: 7 8.040 1.593 0.749 0.664 1.000 0.500 N 1.012 7 residues pruned to eliminate duplicates Z: 8 9.093 1.752 0.655 0.478 0.857 0.286 CB 1.414 8 residues pruned to eliminate duplicates Z: 14 10.445 1.740 0.462 0.383 0.923 0.538 CB 1.397 16 residues pruned to eliminate duplicates Z: 6 2.399 1.433 0.482 0.308 0.800 0.600 CB 0.781 6 residues pruned to eliminate duplicates Z: 14 15.661 1.964 0.641 0.603 0.923 0.769 CB 1.324 14 residues pruned to eliminate duplicates Z: 9 7.119 1.724 0.536 0.618 0.875 0.750 CB 0.972 9 residues pruned to eliminate duplicates Z: 15 12.254 1.924 0.723 0.540 0.786 0.643 CB 1.210 15 residues pruned to eliminate duplicates Z: 16 11.010 1.859 0.441 0.566 0.867 0.533 CB 1.148 26 residues pruned to eliminate duplicates Z: 18 12.566 1.857 0.516 0.511 0.824 0.588 CB 1.301 18 residues pruned to eliminate duplicates Z: 7 3.736 1.419 0.444 0.551 0.667 0.333 N 1.063 7 residues pruned to eliminate duplicates Z: 21 13.145 1.698 0.368 0.495 0.900 0.500 CB 1.413 21 residues pruned to eliminate duplicates Z: 17 14.372 1.824 0.475 0.682 0.875 0.688 CB 1.291 17 residues pruned to eliminate duplicates Z: 6 3.307 1.475 0.574 0.574 0.600 0.600 CB 0.988 6 residues pruned to eliminate duplicates Z: 11 4.210 1.367 0.616 0.301 0.800 0.300 CB 0.940 11 residues pruned to eliminate duplicates Z: 20 7.579 1.697 0.518 0.370 0.737 0.263 CB 1.053 20 residues pruned to eliminate duplicates Z: 23 9.758 1.662 0.359 0.547 0.864 0.636 CB 1.019 24 residues pruned to eliminate duplicates Z: 10 8.814 1.596 0.389 0.817 0.889 0.889 CB 1.132 10 residues pruned to eliminate duplicates Z: 13 13.656 1.774 0.291 0.801 1.000 0.750 CB 1.323 13 residues pruned to eliminate duplicates Z: 20 13.505 1.769 0.390 0.632 0.947 0.632 CB 1.175 17 residues pruned to eliminate duplicates Z: 14 14.225 1.801 0.509 0.762 1.000 0.769 CB 1.150 14 residues pruned to eliminate duplicates Z: 15 11.316 1.824 0.435 0.606 0.857 0.643 CB 1.218 15 residues pruned to eliminate duplicates Z: 15 14.845 1.734 0.460 0.754 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 13 13.264 1.797 0.384 0.851 1.000 0.917 CB 1.139 13 residues pruned to eliminate duplicates Z: 23 11.491 1.695 0.512 0.561 0.909 0.545 CB 0.990 20 residues pruned to eliminate duplicates Z: 13 12.245 1.846 0.391 0.782 1.000 0.833 CB 1.074 13 residues pruned to eliminate duplicates Z: 12 13.669 1.831 0.432 0.750 1.000 0.727 CB 1.258 12 residues pruned to eliminate duplicates Z: 19 10.491 1.791 0.224 0.663 0.889 0.722 CB 1.090 19 residues pruned to eliminate duplicates Z: 18 9.573 1.780 0.274 0.511 0.941 0.588 CB 1.076 18 residues pruned to eliminate duplicates Z: 20 14.119 1.803 0.343 0.617 0.947 0.632 CB 1.264 23 residues pruned to eliminate duplicates Z: 6 2.306 1.706 0.393 0.374 0.800 0.400 CB 0.621 6 residues pruned to eliminate duplicates Z: 18 12.635 1.808 0.329 0.583 0.882 0.647 CB 1.335 18 residues pruned to eliminate duplicates Z: 19 12.404 1.801 0.405 0.567 0.944 0.500 CB 1.147 19 residues pruned to eliminate duplicates Z: 24 11.167 1.729 0.436 0.555 0.870 0.652 CB 1.022 24 residues pruned to eliminate duplicates Z: 31 12.446 1.756 0.337 0.469 0.867 0.500 CB 1.153 26 residues pruned to eliminate duplicates Z: 12 16.546 1.937 0.361 0.790 1.000 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 12 17.077 2.011 0.656 0.627 0.909 0.545 CB 1.509 12 residues pruned to eliminate duplicates Z: 7 10.460 1.725 1.094 0.800 1.000 0.500 CB 0.910 7 residues pruned to eliminate duplicates Z: 21 15.766 1.855 0.785 0.497 0.800 0.600 CB 1.336 25 residues pruned to eliminate duplicates Z: 11 14.753 1.970 0.843 0.847 0.900 0.600 CB 1.060 11 residues pruned to eliminate duplicates Z: 12 11.323 1.975 0.554 0.678 0.636 0.455 CB 1.485 12 residues pruned to eliminate duplicates Z: 11 16.314 2.039 0.868 0.735 0.800 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 18 15.362 1.805 0.691 0.497 0.882 0.529 CB 1.388 18 residues pruned to eliminate duplicates Z: 14 18.147 1.933 0.852 0.627 0.923 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 24 17.417 1.819 0.830 0.578 0.826 0.739 CB 1.225 24 residues pruned to eliminate duplicates Z: 14 17.514 1.899 0.706 0.693 0.923 0.692 CB 1.362 14 residues pruned to eliminate duplicates Z: 7 3.525 1.540 0.704 0.547 1.000 0.667 CB 0.524 6 residues pruned to eliminate duplicates Z: 16 13.178 1.621 0.671 0.799 1.000 0.867 CB 0.968 16 residues pruned to eliminate duplicates Z: 15 11.861 1.606 0.815 0.769 1.000 0.857 CB 0.857 15 residues pruned to eliminate duplicates Z: 10 3.930 1.660 0.560 0.598 0.778 0.667 CB 0.593 10 residues pruned to eliminate duplicates Z: 7 5.517 1.515 0.747 0.687 0.833 0.833 CB 0.860 7 residues pruned to eliminate duplicates Z: 6 4.818 1.686 0.848 0.672 1.000 0.800 CB 0.590 6 residues pruned to eliminate duplicates Z: 13 8.824 1.514 0.637 0.683 1.000 0.667 CB 0.868 13 residues pruned to eliminate duplicates Z: 17 11.661 1.648 0.534 0.628 1.000 0.750 CB 1.022 17 residues pruned to eliminate duplicates Z: 17 10.132 1.628 0.623 0.639 0.938 0.688 CB 0.898 17 residues pruned to eliminate duplicates Z: 30 10.718 1.568 0.433 0.466 0.862 0.483 CB 1.063 30 residues pruned to eliminate duplicates Z: 17 11.062 1.627 0.508 0.662 0.938 0.688 CB 1.035 17 residues pruned to eliminate duplicates Z: 17 11.117 1.634 0.617 0.636 0.938 0.625 CB 0.988 17 residues pruned to eliminate duplicates Z: 17 10.268 1.587 0.610 0.621 0.875 0.562 CB 1.024 17 residues pruned to eliminate duplicates Z: 17 12.162 1.607 0.825 0.637 1.000 0.812 CB 0.912 17 residues pruned to eliminate duplicates Z: 18 9.402 1.540 0.575 0.555 0.824 0.706 CB 1.083 18 residues pruned to eliminate duplicates Z: 27 12.698 1.630 0.493 0.488 0.923 0.615 CB 1.121 27 residues pruned to eliminate duplicates Z: 30 12.567 1.554 0.509 0.476 0.931 0.517 CB 1.096 30 residues pruned to eliminate duplicates Z: 24 10.194 1.642 0.495 0.490 0.826 0.478 CB 1.059 24 residues pruned to eliminate duplicates Z: 23 12.665 1.612 0.636 0.496 0.909 0.455 CB 1.132 23 residues pruned to eliminate duplicates Z: 23 11.890 1.598 0.599 0.591 0.864 0.636 CB 1.053 23 residues pruned to eliminate duplicates Z: 13 5.830 1.492 0.584 0.303 0.833 0.500 N 1.064 9 residues pruned to eliminate duplicates Z: 7 3.181 1.453 0.252 0.440 0.833 0.500 CB 0.911 7 residues pruned to eliminate duplicates Z: 7 4.160 1.412 0.366 0.490 1.000 0.667 N 0.889 7 residues pruned to eliminate duplicates Z: 8 4.492 1.498 0.061 0.448 1.000 0.857 CB 1.126 8 residues pruned to eliminate duplicates Z: 10 4.998 1.664 0.305 0.323 0.778 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 8 5.956 1.786 0.755 0.253 0.714 0.429 CB 1.336 8 residues pruned to eliminate duplicates Z: 9 6.272 1.794 0.628 0.326 0.750 0.250 CB 1.225 9 residues pruned to eliminate duplicates Z: 7 5.021 1.859 0.387 0.342 0.667 0.500 O 1.416 7 residues pruned to eliminate duplicates Z: 8 6.521 1.794 0.576 0.359 0.714 0.143 CB 1.420 8 residues pruned to eliminate duplicates Z: 7 8.674 1.909 0.774 0.423 0.833 0.333 CB 1.359 8 residues pruned to eliminate duplicates Z: 6 3.050 1.455 0.323 0.292 0.800 0.600 CB 1.119 6 residues pruned to eliminate duplicates 7 1.402 1.339 0.019 0.189 0.667 0.167 CB 0.913 ? Z: 23 12.483 1.741 0.235 0.494 0.955 0.500 CB 1.304 23 residues pruned to eliminate duplicates Z: 14 13.667 1.788 0.442 0.633 0.923 0.615 CA 1.407 14 residues pruned to eliminate duplicates Z: 13 11.712 1.788 0.302 0.665 0.917 0.833 N 1.360 13 residues pruned to eliminate duplicates Z: 18 20.280 1.898 0.359 0.719 1.000 0.765 CB 1.565 20 residues pruned to eliminate duplicates Z: 12 20.602 1.918 0.526 0.851 1.000 0.727 N 1.571 13 residues pruned to eliminate duplicates Z: 13 13.433 1.814 0.462 0.774 0.833 0.583 N 1.378 13 residues pruned to eliminate duplicates Z: 12 17.815 1.874 0.776 0.861 0.818 0.727 N 1.450 12 residues pruned to eliminate duplicates Z: 13 18.981 1.807 0.668 0.824 1.000 0.750 N 1.372 12 residues pruned to eliminate duplicates Z: 12 21.325 1.947 0.693 0.916 0.909 0.909 N 1.515 13 residues pruned to eliminate duplicates Z: 12 19.416 1.928 0.640 0.884 0.909 0.818 N 1.471 12 residues pruned to eliminate duplicates Z: 18 20.372 1.896 0.436 0.732 1.000 0.824 CB 1.473 17 residues pruned to eliminate duplicates Z: 16 18.935 1.872 0.661 0.729 0.933 0.733 N 1.371 16 residues pruned to eliminate duplicates Z: 22 21.630 1.845 0.650 0.615 1.000 0.714 CB 1.391 34 residues pruned to eliminate duplicates Z: 8 6.003 1.555 1.059 0.515 0.714 0.429 CB 0.977 8 residues pruned to eliminate duplicates Z: 11 7.061 1.690 0.547 0.198 0.900 0.500 CB 1.359 11 residues pruned to eliminate duplicates Z: 6 5.138 1.453 0.469 0.363 1.000 0.400 CA 1.247 5 residues pruned to eliminate duplicates Z: 6 3.278 1.491 0.327 0.287 1.000 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 14 11.067 1.945 0.268 0.691 1.000 0.846 CB 1.044 14 residues pruned to eliminate duplicates Z: 15 11.709 1.887 0.255 0.671 1.000 0.786 CB 1.128 15 residues pruned to eliminate duplicates Z: 18 11.277 1.967 0.347 0.676 0.882 0.647 CB 0.995 18 residues pruned to eliminate duplicates Z: 12 15.793 2.033 0.432 0.795 1.000 0.909 CB 1.263 12 residues pruned to eliminate duplicates Z: 15 12.781 1.936 0.422 0.652 0.929 0.714 CB 1.160 15 residues pruned to eliminate duplicates Z: 16 8.762 1.909 0.483 0.405 0.867 0.467 CB 1.019 16 residues pruned to eliminate duplicates Z: 12 10.625 1.959 0.330 0.644 0.818 0.455 CB 1.314 12 residues pruned to eliminate duplicates Z: 17 15.000 1.977 0.477 0.722 0.938 0.688 CB 1.120 17 residues pruned to eliminate duplicates Z: 16 10.835 1.947 0.270 0.639 0.867 0.533 CB 1.146 16 residues pruned to eliminate duplicates Z: 17 10.992 1.915 0.216 0.676 0.938 0.625 CB 1.071 17 residues pruned to eliminate duplicates Z: 10 5.465 1.925 0.261 0.407 0.778 0.111 CB 1.063 10 residues pruned to eliminate duplicates Z: 18 10.801 1.935 0.222 0.712 0.882 0.647 CB 1.036 18 residues pruned to eliminate duplicates Z: 20 12.715 1.914 0.444 0.651 0.947 0.632 CB 0.968 20 residues pruned to eliminate duplicates Z: 26 9.763 1.686 0.563 0.398 0.880 0.520 CB 0.938 15 residues pruned to eliminate duplicates Z: 8 4.453 1.821 0.657 0.496 0.857 0.429 CB 0.653 8 residues pruned to eliminate duplicates Z: 20 9.984 1.894 0.347 0.538 0.895 0.526 CB 0.967 20 residues pruned to eliminate duplicates Z: 10 4.126 1.665 0.427 0.335 0.889 0.667 CB 0.780 10 residues pruned to eliminate duplicates Z: 13 7.218 1.624 0.602 0.469 1.000 0.750 CB 0.827 15 residues pruned to eliminate duplicates Z: 6 6.150 1.499 0.721 0.440 1.000 0.600 CB 1.134 6 residues pruned to eliminate duplicates Z: 6 2.973 1.626 0.043 0.434 0.800 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 27 7.900 1.584 0.278 0.520 0.885 0.577 CB 0.848 29 residues pruned to eliminate duplicates Z: 16 9.761 1.705 0.325 0.766 0.867 0.467 CB 1.016 16 residues pruned to eliminate duplicates Z: 29 15.625 1.788 0.318 0.593 0.964 0.607 CB 1.189 27 residues pruned to eliminate duplicates Z: 14 12.061 1.812 0.100 0.910 1.000 0.923 CB 1.190 14 residues pruned to eliminate duplicates Z: 30 18.332 1.873 0.312 0.645 1.000 0.655 CB 1.210 30 residues pruned to eliminate duplicates Z: 13 11.741 1.853 0.147 0.869 1.000 0.833 CB 1.165 13 residues pruned to eliminate duplicates Z: 9 10.182 1.775 0.445 0.712 0.875 0.625 CB 1.323 9 residues pruned to eliminate duplicates Z: 14 15.254 1.864 0.556 0.834 0.923 0.692 CB 1.184 14 residues pruned to eliminate duplicates Z: 15 13.705 1.806 0.446 0.921 1.000 0.857 CB 0.987 15 residues pruned to eliminate duplicates Z: 14 10.944 1.743 0.434 0.892 0.923 0.923 CB 0.945 14 residues pruned to eliminate duplicates Z: 14 11.650 1.737 0.463 0.783 1.000 0.615 CB 0.991 14 residues pruned to eliminate duplicates Z: 10 10.157 1.932 0.551 0.780 0.889 0.667 CB 0.993 10 residues pruned to eliminate duplicates Z: 14 10.157 1.750 0.196 0.746 0.923 0.692 CB 1.170 14 residues pruned to eliminate duplicates Z: 16 13.476 1.814 0.525 0.831 0.933 0.800 CB 1.013 16 residues pruned to eliminate duplicates Z: 9 3.407 1.766 0.519 0.341 0.500 0.500 CB 1.068 9 residues pruned to eliminate duplicates Z: 14 14.473 1.799 0.462 0.866 1.000 0.923 CB 1.117 14 residues pruned to eliminate duplicates Z: 12 10.131 1.667 0.598 0.521 0.818 0.364 CB 1.373 12 residues pruned to eliminate duplicates Z: 26 19.917 1.829 0.711 0.579 0.920 0.560 CB 1.283 30 residues pruned to eliminate duplicates Z: 8 16.420 1.885 0.779 0.732 0.857 0.857 CA 1.752 8 residues pruned to eliminate duplicates Z: 21 14.927 1.812 0.491 0.579 0.850 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 15 8.509 1.647 0.539 0.378 0.857 0.571 CB 1.191 15 residues pruned to eliminate duplicates Z: 22 10.268 1.717 0.430 0.405 0.857 0.524 CB 1.176 13 residues pruned to eliminate duplicates Z: 10 10.912 1.671 0.402 0.582 1.000 0.556 CB 1.436 10 residues pruned to eliminate duplicates Z: 14 8.262 1.813 0.545 0.419 0.769 0.538 CB 1.157 14 residues pruned to eliminate duplicates Z: 17 6.716 1.657 0.219 0.344 0.812 0.375 CB 1.213 17 residues pruned to eliminate duplicates Z: 12 7.032 1.654 0.417 0.436 0.909 0.182 CB 1.063 12 residues pruned to eliminate duplicates Z: 20 12.924 1.636 0.640 0.509 0.947 0.474 CB 1.156 20 residues pruned to eliminate duplicates Z: 12 5.944 1.592 0.237 0.468 0.818 0.455 CB 1.150 12 residues pruned to eliminate duplicates Z: 22 13.864 1.775 0.452 0.629 0.857 0.571 CB 1.214 22 residues pruned to eliminate duplicates Z: 20 8.971 1.574 0.341 0.550 0.842 0.474 N 1.103 20 residues pruned to eliminate duplicates Z: 17 8.353 1.710 0.825 0.476 0.625 0.375 CB 1.097 17 residues pruned to eliminate duplicates Z: 7 6.528 1.970 0.478 0.619 0.667 0.667 CB 1.227 7 residues pruned to eliminate duplicates Z: 6 8.006 1.872 0.426 0.824 0.800 0.600 N 1.267 6 residues pruned to eliminate duplicates Z: 10 4.816 1.503 0.651 0.464 0.778 0.444 N 0.863 10 residues pruned to eliminate duplicates Z: 9 6.984 1.819 0.251 0.532 0.750 0.500 CB 1.402 9 residues pruned to eliminate duplicates Z: 12 8.925 1.890 0.364 0.612 0.727 0.455 CB 1.291 12 residues pruned to eliminate duplicates Z: 12 10.501 1.848 0.527 0.811 0.727 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 18 9.447 1.768 0.487 0.666 0.647 0.471 CB 1.155 18 residues pruned to eliminate duplicates Z: 30 15.275 1.942 0.474 0.488 0.828 0.483 CB 1.212 30 residues pruned to eliminate duplicates Z: 11 7.888 1.832 0.544 0.636 0.800 0.100 CB 0.971 11 residues pruned to eliminate duplicates Z: 12 9.428 1.870 0.422 0.695 0.818 0.364 CB 1.093 12 residues pruned to eliminate duplicates Z: 22 16.798 1.984 0.362 0.447 1.000 0.571 CB 1.433 22 residues pruned to eliminate duplicates Z: 26 12.912 1.990 0.179 0.424 0.920 0.360 CB 1.294 26 residues pruned to eliminate duplicates Z: 28 16.179 2.008 0.350 0.450 0.926 0.519 CB 1.306 28 residues pruned to eliminate duplicates Z: 28 15.380 1.987 0.341 0.374 0.926 0.556 CB 1.372 28 residues pruned to eliminate duplicates Z: 24 13.325 1.979 0.403 0.370 0.870 0.435 CB 1.324 24 residues pruned to eliminate duplicates Z: 26 13.917 1.995 0.341 0.375 0.920 0.440 CB 1.293 26 residues pruned to eliminate duplicates Z: 29 16.659 1.958 0.405 0.495 0.893 0.500 CB 1.288 29 residues pruned to eliminate duplicates Z: 32 19.022 1.937 0.522 0.446 0.903 0.548 CB 1.355 32 residues pruned to eliminate duplicates Z: 36 22.566 1.903 0.504 0.492 0.943 0.514 CB 1.424 36 residues pruned to eliminate duplicates Z: 30 18.096 1.965 0.468 0.495 0.931 0.552 CB 1.257 30 residues pruned to eliminate duplicates Z: 33 17.897 1.942 0.431 0.467 0.875 0.469 CB 1.346 33 residues pruned to eliminate duplicates Z: 27 14.215 1.932 0.509 0.446 0.885 0.423 CB 1.142 27 residues pruned to eliminate duplicates Z: 24 12.208 2.002 0.329 0.367 0.870 0.565 CB 1.269 24 residues pruned to eliminate duplicates Z: 31 16.593 1.975 0.380 0.447 0.900 0.533 CB 1.304 31 residues pruned to eliminate duplicates Z: 33 17.617 1.970 0.331 0.512 0.812 0.500 CB 1.445 33 residues pruned to eliminate duplicates Z: 24 14.963 2.007 0.464 0.476 0.870 0.565 CB 1.251 24 residues pruned to eliminate duplicates Z: 31 17.443 1.839 0.494 0.436 0.933 0.600 CB 1.327 31 residues pruned to eliminate duplicates Z: 24 16.658 1.991 0.522 0.442 0.913 0.522 CB 1.332 24 residues pruned to eliminate duplicates Z: 39 22.599 1.955 0.532 0.467 0.921 0.526 CB 1.374 60 residues pruned to eliminate duplicates Z: 6 8.148 1.541 0.685 0.671 1.000 0.400 CA 1.199 6 residues pruned to eliminate duplicates Z: 17 11.697 1.872 0.643 0.411 0.875 0.625 CB 1.192 17 residues pruned to eliminate duplicates Z: 43 19.827 1.820 0.391 0.561 1.000 0.714 CB 1.139 43 residues pruned to eliminate duplicates Z: 20 11.832 1.834 0.589 0.297 0.842 0.474 CB 1.388 36 residues pruned to eliminate duplicates Z: 21 9.505 1.810 0.471 0.346 0.850 0.550 CB 1.110 21 residues pruned to eliminate duplicates Z: 25 12.931 1.885 0.398 0.451 0.875 0.500 CB 1.204 25 residues pruned to eliminate duplicates Z: 13 14.955 1.859 0.570 0.585 1.000 0.583 CB 1.363 13 residues pruned to eliminate duplicates Z: 14 16.910 1.872 0.779 0.565 0.923 0.692 CB 1.433 14 residues pruned to eliminate duplicates Z: 13 13.497 1.878 0.457 0.593 1.000 0.583 CB 1.303 13 residues pruned to eliminate duplicates Z: 20 13.969 1.741 0.560 0.518 0.895 0.579 CB 1.295 20 residues pruned to eliminate duplicates Z: 19 12.208 1.809 0.359 0.543 0.944 0.556 CB 1.189 19 residues pruned to eliminate duplicates Z: 27 15.585 1.822 0.586 0.449 0.923 0.615 CB 1.208 27 residues pruned to eliminate duplicates Z: 16 14.806 1.818 0.432 0.540 1.000 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 22 10.927 1.692 0.617 0.318 0.810 0.476 CB 1.316 22 residues pruned to eliminate duplicates Z: 19 16.066 1.821 0.483 0.632 1.000 0.667 CB 1.239 19 residues pruned to eliminate duplicates Z: 16 15.066 1.787 0.563 0.533 0.933 0.667 CB 1.445 16 residues pruned to eliminate duplicates Z: 18 15.202 1.773 0.480 0.588 0.941 0.824 CB 1.372 18 residues pruned to eliminate duplicates Z: 20 12.952 1.713 0.544 0.483 0.842 0.632 CB 1.357 20 residues pruned to eliminate duplicates Z: 8 5.998 1.664 0.504 0.415 1.000 0.714 CB 0.990 8 residues pruned to eliminate duplicates Z: 8 6.150 1.678 0.411 0.782 0.857 0.429 N 0.893 8 residues pruned to eliminate duplicates Z: 25 18.702 1.835 0.613 0.586 0.958 0.500 CB 1.239 25 residues pruned to eliminate duplicates Z: 27 20.997 1.759 0.718 0.619 0.962 0.808 CB 1.267 27 residues pruned to eliminate duplicates Z: 26 20.067 1.803 0.772 0.614 0.880 0.720 CB 1.282 26 residues pruned to eliminate duplicates Z: 25 21.120 1.829 0.648 0.623 1.000 0.750 CB 1.273 25 residues pruned to eliminate duplicates Z: 31 18.144 1.715 0.611 0.613 1.000 0.767 CB 1.077 25 residues pruned to eliminate duplicates Z: 14 14.179 1.759 0.747 0.808 1.000 0.692 CB 0.978 14 residues pruned to eliminate duplicates Z: 27 19.829 1.744 0.690 0.604 0.923 0.731 CB 1.294 27 residues pruned to eliminate duplicates Z: 38 19.653 1.810 0.601 0.541 0.919 0.595 CB 1.165 38 residues pruned to eliminate duplicates Z: 19 7.831 1.686 0.598 0.297 0.833 0.278 CB 1.032 35 residues pruned to eliminate duplicates Z: 16 4.501 1.544 0.650 0.303 0.733 0.400 CB 0.774 16 residues pruned to eliminate duplicates Z: 11 4.741 1.761 0.354 0.368 0.700 0.400 CB 1.035 11 residues pruned to eliminate duplicates Z: 16 4.955 1.696 0.213 0.294 0.667 0.400 CB 1.175 16 residues pruned to eliminate duplicates Z: 15 4.804 1.784 0.330 0.424 0.571 0.357 CB 1.024 15 residues pruned to eliminate duplicates Z: 12 5.259 1.675 0.184 0.447 0.818 0.545 CB 1.032 12 residues pruned to eliminate duplicates Z: 17 6.725 1.788 0.343 0.289 0.750 0.438 CB 1.184 17 residues pruned to eliminate duplicates Z: 15 7.362 1.752 0.436 0.303 0.857 0.429 CB 1.136 15 residues pruned to eliminate duplicates Z: 14 6.156 1.748 0.430 0.365 0.692 0.462 CB 1.141 14 residues pruned to eliminate duplicates Z: 7 3.760 1.729 0.161 0.261 0.833 0.500 CB 1.205 7 residues pruned to eliminate duplicates Z: 17 10.702 1.815 0.397 0.482 0.812 0.500 CB 1.323 17 residues pruned to eliminate duplicates Z: 7 6.205 2.081 0.055 0.535 0.667 0.500 N 1.673 7 residues pruned to eliminate duplicates Z: 14 6.555 1.888 0.189 0.367 0.692 0.462 CB 1.349 25 residues pruned to eliminate duplicates Z: 9 9.417 1.873 0.643 0.513 0.875 0.625 CB 1.221 Z: 6 4.651 1.755 0.408 0.601 0.800 0.200 CB 0.956 6 residues pruned to eliminate duplicates Z: 9 11.552 1.973 0.725 0.568 0.875 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 8 4.952 1.325 0.556 0.617 0.857 0.286 CB 0.949 8 residues pruned to eliminate duplicates Z: 18 6.623 1.798 0.189 0.253 0.824 0.412 CB 1.210 18 residues pruned to eliminate duplicates Z: 15 8.044 1.775 0.202 0.427 0.857 0.571 CB 1.269 15 residues pruned to eliminate duplicates Z: 21 10.625 1.675 0.632 0.414 0.850 0.550 CB 1.119 25 residues pruned to eliminate duplicates Z: 8 5.732 1.686 0.297 0.648 0.857 0.429 CB 1.007 Z: 9 4.068 1.692 0.286 0.504 0.750 0.250 CB 0.878 12 residues pruned to eliminate duplicates Z: 6 3.954 1.581 0.231 0.739 1.000 0.400 CB 0.733 6 residues pruned to eliminate duplicates Z: 9 2.960 1.656 0.454 0.600 0.750 0.375 CB 0.527 9 residues pruned to eliminate duplicates Z: 11 3.915 1.688 0.356 0.421 0.800 0.400 CB 0.734 11 residues pruned to eliminate duplicates Z: 6 3.808 1.589 0.335 0.738 0.800 0.400 CB 0.810 6 residues pruned to eliminate duplicates Z: 9 8.636 1.499 0.539 0.650 1.000 0.500 CB 1.151 7 residues pruned to eliminate duplicates Z: 7 4.464 1.423 0.147 0.765 1.000 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 7 5.875 1.886 0.669 0.147 0.833 0.333 CB 1.412 7 residues pruned to eliminate duplicates Z: 7 8.554 1.975 0.627 0.415 0.833 0.167 CB 1.426 7 residues pruned to eliminate duplicates Z: 8 7.634 1.501 0.495 0.672 0.857 0.714 CB 1.279 8 residues pruned to eliminate duplicates Z: 8 9.090 1.908 0.878 0.410 0.857 0.429 CB 1.229 8 residues pruned to eliminate duplicates Z: 7 7.787 1.808 0.680 0.472 0.833 0.333 N 1.293 7 residues pruned to eliminate duplicates Z: 13 5.449 1.631 0.341 0.426 0.667 0.333 CB 1.165 12 residues pruned to eliminate duplicates Z: 6 2.506 1.431 0.663 0.139 0.800 0.400 CA 0.921 6 residues pruned to eliminate duplicates Z: 17 12.045 1.913 0.544 0.380 0.875 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 23 18.865 1.885 0.518 0.599 0.955 0.591 CB 1.339 23 residues pruned to eliminate duplicates Z: 27 22.210 1.904 0.868 0.611 0.962 0.423 CB 1.146 27 residues pruned to eliminate duplicates Z: 23 18.387 1.933 0.642 0.658 0.864 0.591 CB 1.235 23 residues pruned to eliminate duplicates Z: 23 13.081 1.874 0.470 0.519 0.818 0.455 CB 1.213 32 residues pruned to eliminate duplicates Z: 19 17.356 1.853 0.780 0.712 0.778 0.444 CB 1.316 19 residues pruned to eliminate duplicates Z: 28 24.284 1.928 0.733 0.577 0.963 0.519 CB 1.348 28 residues pruned to eliminate duplicates Z: 18 10.983 1.871 0.433 0.489 0.882 0.706 CB 1.138 18 residues pruned to eliminate duplicates Z: 23 17.848 1.793 0.571 0.650 0.909 0.727 CB 1.292 23 residues pruned to eliminate duplicates Z: 22 22.524 1.916 0.760 0.630 1.000 0.619 CB 1.289 22 residues pruned to eliminate duplicates Z: 12 14.975 1.983 0.583 0.678 0.909 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 27 17.652 1.856 0.557 0.465 0.923 0.500 CB 1.345 27 residues pruned to eliminate duplicates Z: 29 17.830 1.838 0.542 0.514 0.857 0.607 CB 1.369 29 residues pruned to eliminate duplicates Z: 13 8.686 1.596 0.568 0.496 0.833 0.500 N 1.207 13 residues pruned to eliminate duplicates Z: 13 9.739 1.815 0.465 0.333 0.917 0.417 CB 1.385 13 residues pruned to eliminate duplicates Z: 23 15.528 1.856 0.507 0.570 0.864 0.455 CB 1.281 23 residues pruned to eliminate duplicates Z: 11 13.467 1.860 0.590 0.632 0.900 0.500 N 1.413 11 residues pruned to eliminate duplicates Z: 25 12.735 1.715 0.668 0.399 0.792 0.458 CB 1.277 25 residues pruned to eliminate duplicates Z: 11 11.792 1.868 0.485 0.521 0.900 0.500 N 1.462 11 residues pruned to eliminate duplicates Z: 11 13.204 1.866 0.477 0.594 1.000 0.500 CB 1.384 11 residues pruned to eliminate duplicates Z: 11 13.350 1.835 0.507 0.663 1.000 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 15 13.053 1.762 0.549 0.542 0.929 0.429 O 1.321 15 residues pruned to eliminate duplicates Z: 6 2.012 1.537 -0.107 0.233 0.800 0.200 O 1.118 Z: 6 4.287 1.409 0.511 0.366 1.000 0.200 CB 1.040 Z: 6 3.020 1.463 0.154 0.354 1.000 0.600 N 0.937 4 residues pruned to eliminate duplicates Z: 6 2.132 1.417 0.152 0.267 0.800 0.600 N 0.951 6 residues pruned to eliminate duplicates Z: 12 4.921 1.495 0.264 0.390 0.909 0.545 N 0.971 20 residues pruned to eliminate duplicates Z: 6 3.183 1.581 0.001 0.433 0.800 0.400 N 1.206 6 residues pruned to eliminate duplicates Z: 13 3.378 1.514 0.388 0.329 0.667 0.167 CB 0.839 19 residues pruned to eliminate duplicates Z: 7 7.290 1.715 0.348 0.723 1.000 0.500 CB 1.052 8 residues pruned to eliminate duplicates Z: 6 3.852 1.848 0.401 0.562 0.800 0.600 CB 0.783 6 residues pruned to eliminate duplicates Z: 17 19.554 1.915 0.811 0.604 1.000 0.812 CB 1.276 19 residues pruned to eliminate duplicates Z: 8 13.241 1.871 0.940 0.575 1.000 0.857 CA 1.283 7 residues pruned to eliminate duplicates Z: 8 10.734 1.984 0.702 0.434 1.000 0.857 CA 1.286 8 residues pruned to eliminate duplicates Z: 27 13.881 1.724 0.547 0.464 0.923 0.654 CB 1.148 27 residues pruned to eliminate duplicates Z: 26 23.672 1.860 0.887 0.580 0.960 0.520 CB 1.301 26 residues pruned to eliminate duplicates Z: 14 23.075 2.040 1.081 0.660 1.000 0.846 CB 1.300 14 residues pruned to eliminate duplicates Z: 13 23.667 2.091 1.044 0.647 0.917 0.833 CB 1.521 13 residues pruned to eliminate duplicates Z: 14 22.509 1.994 1.046 0.635 0.923 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 16 20.353 1.883 0.840 0.608 1.000 0.533 CB 1.369 16 residues pruned to eliminate duplicates Z: 27 25.344 1.945 0.998 0.609 0.923 0.615 CB 1.250 27 residues pruned to eliminate duplicates Z: 21 18.050 1.750 0.854 0.532 0.850 0.550 CB 1.418 21 residues pruned to eliminate duplicates Z: 6 3.233 1.525 0.416 0.357 1.000 0.600 CA 0.781 6 residues pruned to eliminate duplicates Z: 15 8.293 1.739 0.576 0.536 0.857 0.571 CB 0.911 15 residues pruned to eliminate duplicates Z: 19 13.554 1.864 0.542 0.547 0.889 0.611 CB 1.195 19 residues pruned to eliminate duplicates Z: 20 22.784 1.913 0.574 0.706 1.000 0.842 CB 1.439 20 residues pruned to eliminate duplicates Z: 28 19.125 1.910 0.708 0.543 0.926 0.593 CB 1.168 28 residues pruned to eliminate duplicates Z: 6 3.513 1.545 0.158 0.502 1.000 0.800 CB 0.877 6 residues pruned to eliminate duplicates Z: 29 16.580 1.802 0.632 0.470 0.929 0.536 CB 1.183 29 residues pruned to eliminate duplicates Z: 18 10.749 1.775 0.381 0.560 0.941 0.588 CB 1.066 18 residues pruned to eliminate duplicates Z: 21 9.621 1.850 0.325 0.424 0.850 0.350 CB 1.118 21 residues pruned to eliminate duplicates Z: 15 13.944 1.836 0.378 0.678 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 24 15.457 1.926 0.226 0.589 1.000 0.826 CB 1.254 24 residues pruned to eliminate duplicates Z: 24 16.819 1.902 0.246 0.643 1.000 0.783 CB 1.294 24 residues pruned to eliminate duplicates Z: 19 17.240 1.887 0.408 0.688 1.000 0.833 CB 1.287 19 residues pruned to eliminate duplicates Z: 31 21.799 1.955 0.474 0.528 0.967 0.633 CB 1.390 31 residues pruned to eliminate duplicates Z: 30 10.169 1.852 0.187 0.435 0.759 0.552 CB 1.210 30 residues pruned to eliminate duplicates Z: 7 9.961 1.860 0.360 0.785 0.833 0.667 CB 1.501 7 residues pruned to eliminate duplicates Z: 34 16.962 1.860 0.292 0.572 0.939 0.697 CB 1.221 34 residues pruned to eliminate duplicates Z: 39 18.012 1.826 0.398 0.546 0.947 0.658 CB 1.155 39 residues pruned to eliminate duplicates Z: 26 15.720 1.905 0.305 0.521 0.960 0.600 CB 1.290 26 residues pruned to eliminate duplicates Z: 25 14.790 1.895 0.313 0.588 0.875 0.583 CB 1.274 25 residues pruned to eliminate duplicates Z: 24 16.521 1.910 0.348 0.586 0.957 0.609 CB 1.288 24 residues pruned to eliminate duplicates Z: 18 14.004 1.899 0.299 0.707 0.941 0.647 CB 1.212 18 residues pruned to eliminate duplicates Z: 9 2.813 1.857 -0.101 0.244 0.750 0.250 CB 1.068 7 residues pruned to eliminate duplicates Z: 16 12.036 1.928 0.146 0.758 0.867 0.733 CB 1.290 16 residues pruned to eliminate duplicates Z: 6 7.688 1.973 0.637 0.436 0.800 0.400 CB 1.422 6 residues pruned to eliminate duplicates Z: 20 13.168 1.956 0.214 0.631 0.842 0.526 CB 1.336 35 residues pruned to eliminate duplicates Z: 35 19.720 1.918 0.324 0.613 0.941 0.676 CB 1.272 35 residues pruned to eliminate duplicates Z: 8 5.109 1.690 0.227 0.370 0.714 0.714 CB 1.498 8 residues pruned to eliminate duplicates Z: 8 6.328 1.829 0.368 0.450 0.714 0.714 CB 1.409 8 residues pruned to eliminate duplicates Z: 7 6.042 1.905 0.206 0.423 0.833 0.667 CB 1.397 7 residues pruned to eliminate duplicates Z: 11 6.660 1.615 0.370 0.413 0.800 0.700 CB 1.304 11 residues pruned to eliminate duplicates Z: 15 8.208 1.857 0.259 0.317 0.714 0.429 O 1.608 15 residues pruned to eliminate duplicates Z: 37 18.364 1.875 0.287 0.526 0.889 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 8 4.089 1.794 0.241 0.276 0.714 0.286 N 1.253 8 residues pruned to eliminate duplicates Z: 13 7.089 1.721 0.309 0.337 0.833 0.417 CB 1.302 13 residues pruned to eliminate duplicates Z: 10 4.222 1.742 0.088 0.236 0.778 0.333 N 1.297 10 residues pruned to eliminate duplicates Z: 9 6.045 1.692 0.375 0.469 0.875 0.375 CB 1.083 9 residues pruned to eliminate duplicates Z: 8 9.490 1.965 0.273 0.622 1.000 0.571 CB 1.278 Z: 6 6.755 1.703 0.145 0.651 1.000 0.800 CA 1.345 6 residues pruned to eliminate duplicates Z: 8 6.626 1.919 0.235 0.554 1.000 0.429 CB 1.003 8 residues pruned to eliminate duplicates Z: 38 15.369 1.841 0.669 0.429 0.838 0.405 CB 1.056 38 residues pruned to eliminate duplicates Z: 20 13.275 1.914 0.407 0.512 1.000 0.579 CB 1.118 7 residues pruned to eliminate duplicates Z: 6 4.832 1.644 0.680 0.400 1.000 0.600 CA 0.869 6 residues pruned to eliminate duplicates Z: 22 9.576 1.846 0.517 0.484 0.714 0.476 CB 1.062 21 residues pruned to eliminate duplicates Z: 6 4.206 1.474 0.521 0.291 1.000 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 21 8.619 1.850 0.178 0.388 0.850 0.500 CB 1.171 46 residues pruned to eliminate duplicates Z: 15 8.536 1.873 0.408 0.273 0.929 0.286 CB 1.205 Z: 17 14.945 1.738 0.373 0.739 0.875 0.688 CB 1.445 17 residues pruned to eliminate duplicates Z: 21 17.361 1.957 0.406 0.602 1.000 0.750 CB 1.280 26 residues pruned to eliminate duplicates Z: 14 15.958 1.925 0.246 0.857 1.000 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 24 14.106 1.857 0.452 0.506 0.957 0.652 CB 1.134 24 residues pruned to eliminate duplicates Z: 15 16.108 1.929 0.445 0.652 1.000 0.714 CB 1.340 15 residues pruned to eliminate duplicates Z: 16 13.367 1.863 0.405 0.664 0.867 0.667 CB 1.307 16 residues pruned to eliminate duplicates Z: 22 14.123 1.881 0.475 0.579 0.905 0.619 CB 1.138 23 residues pruned to eliminate duplicates Z: 14 17.867 1.876 0.592 0.852 1.000 0.769 CB 1.228 14 residues pruned to eliminate duplicates Z: 15 14.924 1.810 0.492 0.660 0.929 0.571 N 1.371 15 residues pruned to eliminate duplicates Z: 18 15.879 1.844 0.494 0.682 0.882 0.647 CB 1.340 18 residues pruned to eliminate duplicates Z: 19 14.819 1.896 0.433 0.647 0.944 0.667 CB 1.187 19 residues pruned to eliminate duplicates Z: 29 18.085 1.847 0.447 0.586 1.000 0.643 CB 1.177 34 residues pruned to eliminate duplicates Z: 15 14.040 1.907 0.361 0.835 0.857 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 20 14.964 1.879 0.505 0.670 0.895 0.684 CB 1.160 20 residues pruned to eliminate duplicates Z: 16 6.531 1.712 0.408 0.547 0.733 0.333 CB 0.911 16 residues pruned to eliminate duplicates 743 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 10 D: 8 E: 17 F: 6 G: 9 H: 18 I: 10 J: 14 K: 9 L: 8 M: 59 N: 30 O: 10 P: 18 Q: 50 R: 19 S: 45 T: 31 U: 6 V: 23 W: 31 X: 30 Y: 95 Z: 12 Z: 44 Z: 7 Z: 29 Z: 14 Z: 67 CC for partial structure against native data = 27.50 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.453, Connect. = 0.661 for dens.mod. cycle 1 = 0.302, Contrast = 0.529, Connect. = 0.688 for dens.mod. cycle 2 = 0.302, Contrast = 0.625, Connect. = 0.723 for dens.mod. cycle 3 = 0.302, Contrast = 0.641, Connect. = 0.728 for dens.mod. cycle 4 = 0.302, Contrast = 0.655, Connect. = 0.731 for dens.mod. cycle 5 = 0.302, Contrast = 0.661, Connect. = 0.734 for dens.mod. cycle 6 = 0.302, Contrast = 0.666, Connect. = 0.736 for dens.mod. cycle 7 = 0.302, Contrast = 0.668, Connect. = 0.738 for dens.mod. cycle 8 = 0.302, Contrast = 0.670, Connect. = 0.739 for dens.mod. cycle 9 = 0.302, Contrast = 0.671, Connect. = 0.740 for dens.mod. cycle 10 TimeTaking 123.27