++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:56:23 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: ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.ins Phases from ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.phi Native data from ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.hkl Listing output to ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.lst Phases output to ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.phs Poly-Ala trace output to ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 52578 Reflections read from file ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.phi 52578 Reflections read from file ./1vkm-2.6-parrot-hancs/1vkm-2.6-parrot-hancs.hkl 52578 Unique data, highest resolution = 2.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000174h^2 -0.000077k^2 +0.000183l^2 +0.000000kl +0.000000hl +0.000000hk 6 Reflections with d > 2.800 and 0 in range 2.800 > d > 2.600 added Density sharpening factor set to 0.00 Fourier grid = 128 x 256 x 41 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.738 = 0.300, Contrast = 0.356, Connect. = 0.660 for dens.mod. cycle 1 = 0.300, Contrast = 0.405, Connect. = 0.671 for dens.mod. cycle 2 = 0.300, Contrast = 0.474, Connect. = 0.697 for dens.mod. cycle 3 = 0.300, Contrast = 0.499, Connect. = 0.706 for dens.mod. cycle 4 = 0.300, Contrast = 0.514, Connect. = 0.713 for dens.mod. cycle 5 = 0.300, Contrast = 0.525, Connect. = 0.717 for dens.mod. cycle 6 = 0.300, Contrast = 0.533, Connect. = 0.721 for dens.mod. cycle 7 = 0.300, Contrast = 0.539, Connect. = 0.723 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.726 for dens.mod. cycle 9 = 0.300, Contrast = 0.547, Connect. = 0.727 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4164 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1241 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.259 1.641 0.929 0.876 0.818 0.636 CB 1.291 B: 13 20.657 1.815 0.798 0.918 0.917 0.750 CB 1.406 C: 13 22.904 1.793 0.817 0.927 1.000 0.917 CB 1.423 13 residues pruned to eliminate duplicates D: 17 17.268 1.607 0.911 0.754 0.875 0.562 N 1.281 E: 23 22.176 1.790 0.701 0.651 1.000 0.591 CB 1.349 F: 13 18.165 1.828 0.728 0.865 0.917 0.750 CB 1.327 13 residues pruned to eliminate duplicates G: 13 11.694 1.786 0.520 0.828 1.000 0.750 CB 0.937 H: 16 18.177 1.822 0.517 0.902 1.000 0.867 CB 1.211 I: 12 22.281 1.894 0.652 0.914 1.000 0.909 CB 1.518 J: 13 27.287 1.869 0.839 0.924 1.000 0.750 CB 1.609 K: 12 14.261 1.806 0.569 0.791 1.000 0.455 CB 1.176 L: 12 22.282 1.843 0.811 0.872 1.000 0.727 CA 1.467 13 residues pruned to eliminate duplicates M: 12 26.298 1.877 0.930 0.864 1.000 0.727 CB 1.605 N: 13 27.266 1.898 1.013 0.894 1.000 0.917 CA 1.478 O: 22 16.870 1.620 0.542 0.931 1.000 0.762 CB 1.030 P: 17 7.669 1.723 0.383 0.314 0.812 0.562 CB 1.216 Q: 13 21.518 1.767 0.949 0.850 1.000 0.667 CA 1.337 R: 11 26.023 1.813 1.178 0.841 1.000 0.600 N 1.555 S: 12 16.024 1.789 0.786 0.875 1.000 0.818 CB 1.100 12 residues pruned to eliminate duplicates T: 13 25.704 1.902 0.952 0.880 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates U: 13 15.743 1.704 0.959 0.789 0.833 0.667 CB 1.268 12 residues pruned to eliminate duplicates V: 13 24.158 1.888 0.839 0.866 1.000 0.917 CA 1.471 13 residues pruned to eliminate duplicates W: 10 11.296 1.694 0.405 0.888 1.000 1.000 CA 1.140 X: 13 22.107 1.844 0.676 0.927 1.000 0.917 CB 1.447 13 residues pruned to eliminate duplicates Y: 26 22.843 1.823 1.059 0.544 0.920 0.560 CB 1.268 13 residues pruned to eliminate duplicates Z: 13 21.009 1.704 0.728 0.896 1.000 0.833 CA 1.476 13 residues pruned to eliminate duplicates Z: 16 18.724 1.739 0.691 0.832 1.000 0.800 CB 1.234 Z: 11 15.641 1.705 0.680 0.867 1.000 1.000 CA 1.263 Z: 14 22.821 1.749 0.986 0.897 1.000 0.846 CA 1.304 14 residues pruned to eliminate duplicates Z: 11 14.581 1.717 0.435 0.865 1.000 0.900 CB 1.371 Z: 14 15.720 1.743 0.528 0.895 1.000 0.923 CB 1.174 14 residues pruned to eliminate duplicates Z: 6 7.261 1.714 0.657 0.591 0.800 0.800 CB 1.310 Z: 11 16.382 1.824 0.395 0.910 1.000 0.900 CB 1.443 Z: 15 19.459 1.656 0.655 0.836 1.000 0.714 CA 1.420 15 residues pruned to eliminate duplicates Z: 11 15.917 1.690 0.655 0.910 1.000 1.000 CB 1.276 Z: 25 22.210 1.859 0.851 0.579 0.917 0.625 CB 1.332 26 residues pruned to eliminate duplicates Z: 16 19.701 1.792 0.629 0.928 1.000 1.000 CB 1.220 16 residues pruned to eliminate duplicates Z: 11 14.883 1.823 0.460 0.838 0.900 0.700 CB 1.468 11 residues pruned to eliminate duplicates Z: 13 21.591 1.917 0.768 0.883 0.917 0.833 CA 1.451 13 residues pruned to eliminate duplicates Z: 12 17.852 1.606 1.070 0.820 1.000 0.727 CA 1.226 12 residues pruned to eliminate duplicates Z: 21 15.032 1.611 0.386 0.919 1.000 0.900 CB 1.061 21 residues pruned to eliminate duplicates Z: 28 23.393 1.768 0.893 0.549 0.963 0.741 CB 1.332 11 residues pruned to eliminate duplicates Z: 17 13.470 1.596 0.455 0.919 1.000 0.938 CB 1.022 17 residues pruned to eliminate duplicates Z: 12 26.380 1.933 1.037 0.881 1.000 0.818 CA 1.464 12 residues pruned to eliminate duplicates Z: 12 26.075 1.892 0.998 0.928 1.000 1.000 CB 1.456 12 residues pruned to eliminate duplicates Z: 13 14.704 1.678 0.523 0.852 0.917 0.917 CB 1.340 11 residues pruned to eliminate duplicates Z: 10 3.993 1.699 0.097 0.283 0.889 0.333 CB 1.026 7 residues pruned to eliminate duplicates Z: 12 22.487 1.793 1.080 0.917 1.000 0.909 CA 1.282 11 residues pruned to eliminate duplicates Z: 28 16.649 1.708 0.983 0.473 0.778 0.630 CB 1.251 28 residues pruned to eliminate duplicates Z: 15 19.297 1.721 0.633 0.914 1.000 0.786 CB 1.298 Z: 12 28.723 1.907 1.078 0.913 1.000 0.909 N 1.547 12 residues pruned to eliminate duplicates Z: 20 6.137 1.761 0.212 0.307 0.789 0.368 CB 1.035 Z: 13 24.490 1.848 0.888 0.923 1.000 0.917 CA 1.424 13 residues pruned to eliminate duplicates Z: 13 25.090 1.843 1.127 0.883 1.000 0.667 CA 1.335 13 residues pruned to eliminate duplicates Z: 13 18.649 1.655 0.861 0.876 1.000 0.750 CA 1.271 13 residues pruned to eliminate duplicates Z: 14 9.147 1.637 0.248 0.829 0.846 0.692 CB 1.105 Z: 12 25.290 1.866 0.885 0.909 1.000 0.818 CA 1.539 12 residues pruned to eliminate duplicates Z: 13 20.860 1.835 0.696 0.921 0.917 0.750 CB 1.485 13 residues pruned to eliminate duplicates Z: 16 16.659 1.781 0.523 0.898 0.867 0.733 CB 1.309 Z: 14 17.258 1.861 0.462 0.924 1.000 0.923 CB 1.236 15 residues pruned to eliminate duplicates Z: 7 5.461 1.624 0.235 0.611 0.833 0.667 CA 1.201 Z: 12 17.775 1.763 0.483 0.920 1.000 0.909 CB 1.444 11 residues pruned to eliminate duplicates Z: 12 15.648 1.722 0.712 0.848 1.000 0.727 CB 1.188 11 residues pruned to eliminate duplicates Z: 12 16.869 1.762 0.917 0.863 0.909 0.455 CB 1.215 11 residues pruned to eliminate duplicates Z: 12 18.214 1.779 0.571 0.910 1.000 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 17 18.572 1.593 0.778 0.882 1.000 0.625 CB 1.186 15 residues pruned to eliminate duplicates Z: 12 14.899 1.747 0.479 0.873 0.909 0.818 CB 1.394 Z: 14 14.551 1.640 0.433 0.885 0.923 0.923 CB 1.343 13 residues pruned to eliminate duplicates Z: 15 14.111 1.621 0.474 0.933 1.000 1.000 CB 1.102 14 residues pruned to eliminate duplicates Z: 13 22.872 1.881 0.956 0.849 0.917 0.750 CA 1.451 13 residues pruned to eliminate duplicates Z: 11 11.630 1.567 0.372 0.872 1.000 1.000 CB 1.247 Z: 18 8.755 1.692 0.374 0.524 0.882 0.588 CB 1.011 Z: 13 19.501 1.657 0.788 0.866 1.000 0.833 CA 1.391 13 residues pruned to eliminate duplicates Z: 12 21.138 1.877 0.974 0.914 0.909 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 15 7.217 1.620 0.696 0.393 0.857 0.643 CB 0.917 Z: 36 16.265 1.672 0.802 0.452 0.829 0.600 CB 1.156 13 residues pruned to eliminate duplicates Z: 14 21.746 1.682 0.941 0.858 1.000 0.923 CA 1.361 14 residues pruned to eliminate duplicates Z: 12 17.193 1.733 1.059 0.728 0.818 0.636 CB 1.447 13 residues pruned to eliminate duplicates Z: 16 12.977 1.650 0.516 0.745 1.000 0.867 CB 1.076 10 residues pruned to eliminate duplicates Z: 19 16.944 1.694 0.480 0.906 1.000 0.889 CB 1.134 Z: 14 25.558 1.805 0.845 0.889 1.000 0.769 CB 1.532 13 residues pruned to eliminate duplicates Z: 12 20.716 1.798 1.179 0.891 1.000 0.636 CB 1.146 13 residues pruned to eliminate duplicates Z: 15 19.356 1.624 0.778 0.868 1.000 0.857 CA 1.310 15 residues pruned to eliminate duplicates Z: 16 15.102 1.691 0.608 0.833 0.867 0.800 CB 1.241 16 residues pruned to eliminate duplicates Z: 11 20.350 1.808 0.651 0.919 1.000 0.900 CB 1.519 11 residues pruned to eliminate duplicates Z: 13 14.454 1.675 0.837 0.905 0.917 0.750 CB 1.053 Z: 13 21.158 1.759 0.875 0.914 1.000 0.833 CA 1.309 13 residues pruned to eliminate duplicates Z: 26 24.070 1.673 0.768 0.909 1.000 0.680 CB 1.155 Z: 27 22.178 1.654 0.875 0.893 0.962 0.654 CB 1.047 26 residues pruned to eliminate duplicates Z: 16 19.896 1.828 0.709 0.929 1.000 0.933 CB 1.150 16 residues pruned to eliminate duplicates Z: 16 17.982 1.729 0.574 0.927 1.000 0.867 CB 1.195 18 residues pruned to eliminate duplicates Z: 12 21.608 1.861 0.832 0.892 0.909 0.818 CB 1.510 12 residues pruned to eliminate duplicates Z: 26 24.886 1.703 0.843 0.951 1.000 0.960 CB 1.093 27 residues pruned to eliminate duplicates Z: 13 7.636 1.662 0.390 0.402 0.917 0.583 CB 1.154 Z: 39 20.242 1.749 0.754 0.530 0.921 0.605 CB 1.129 28 residues pruned to eliminate duplicates Z: 15 14.945 1.786 0.506 0.883 0.929 0.929 CB 1.157 15 residues pruned to eliminate duplicates Z: 14 22.406 1.730 1.158 0.907 0.923 0.692 N 1.281 14 residues pruned to eliminate duplicates Z: 6 5.294 1.655 0.480 0.529 0.800 0.600 CB 1.174 Z: 18 17.214 1.722 0.656 0.925 0.941 0.765 CB 1.091 18 residues pruned to eliminate duplicates Z: 11 13.852 1.672 0.655 0.836 1.000 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 29 15.103 1.766 0.714 0.493 0.821 0.679 CB 1.156 35 residues pruned to eliminate duplicates Z: 57 27.178 1.819 0.588 0.541 0.929 0.714 CB 1.301 57 residues pruned to eliminate duplicates Z: 13 15.175 1.653 0.706 0.907 1.000 0.750 CB 1.104 13 residues pruned to eliminate duplicates Z: 11 11.534 1.640 0.733 0.849 0.800 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 7 6.131 1.666 0.299 0.517 1.000 0.500 N 1.138 Z: 8 9.166 1.743 0.444 0.854 1.000 0.714 CB 1.017 8 residues pruned to eliminate duplicates Z: 15 19.630 1.718 0.698 0.868 1.000 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 23 17.087 1.753 0.688 0.469 0.955 0.545 CB 1.332 29 residues pruned to eliminate duplicates Z: 16 17.316 1.726 0.558 0.902 0.933 0.733 CB 1.271 16 residues pruned to eliminate duplicates Z: 15 13.875 1.657 0.852 0.908 1.000 0.857 CB 0.858 15 residues pruned to eliminate duplicates Z: 11 19.120 1.822 0.633 0.850 1.000 0.800 CB 1.505 12 residues pruned to eliminate duplicates Z: 16 13.518 1.619 0.703 0.914 0.933 0.800 CB 0.960 Z: 13 14.428 1.660 0.705 0.882 1.000 0.750 CB 1.064 Z: 12 14.122 1.710 0.505 0.847 0.909 0.818 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 12.543 1.623 0.515 0.836 1.000 0.750 CB 1.102 12 residues pruned to eliminate duplicates Z: 13 14.349 1.597 0.614 0.910 1.000 0.917 CA 1.139 13 residues pruned to eliminate duplicates Z: 7 3.683 1.588 0.243 0.271 0.833 0.500 CA 1.186 Z: 13 18.988 1.736 0.830 0.889 1.000 0.833 CA 1.243 13 residues pruned to eliminate duplicates Z: 22 10.928 1.494 0.357 0.876 0.905 0.762 CB 0.945 Z: 14 15.717 1.652 0.635 0.888 1.000 0.769 CB 1.163 14 residues pruned to eliminate duplicates Z: 13 23.844 1.805 1.038 0.870 1.000 0.667 CA 1.365 13 residues pruned to eliminate duplicates Z: 13 19.113 1.781 0.562 0.872 1.000 0.833 CB 1.445 13 residues pruned to eliminate duplicates Z: 10 6.549 1.576 0.266 0.528 1.000 0.667 CB 1.065 Z: 7 3.872 1.652 0.298 0.467 0.833 0.667 CB 0.915 Z: 10 10.415 1.818 0.996 0.613 0.778 0.556 CB 1.105 10 residues pruned to eliminate duplicates Z: 8 7.193 1.757 0.257 0.583 0.857 0.857 CB 1.327 Z: 11 18.653 1.827 0.535 0.910 1.000 1.000 CB 1.492 11 residues pruned to eliminate duplicates Z: 41 21.442 1.763 0.669 0.537 0.925 0.575 CB 1.201 67 residues pruned to eliminate duplicates Z: 16 12.258 1.606 0.385 0.912 1.000 0.867 CB 1.008 16 residues pruned to eliminate duplicates Z: 10 6.643 1.469 0.929 0.551 0.778 0.444 CB 0.956 Z: 37 16.034 1.752 0.665 0.462 0.861 0.583 CB 1.106 37 residues pruned to eliminate duplicates Z: 16 14.016 1.787 0.382 0.850 0.933 0.933 CB 1.163 16 residues pruned to eliminate duplicates Z: 10 6.499 1.606 0.230 0.806 0.889 0.778 CB 0.945 Z: 10 2.119 1.313 0.200 0.170 0.667 0.222 N 1.004 10 residues pruned to eliminate duplicates Z: 15 20.072 1.830 0.756 0.951 1.000 0.929 CB 1.151 15 residues pruned to eliminate duplicates Z: 11 13.247 1.745 0.541 0.857 0.900 0.600 CB 1.276 11 residues pruned to eliminate duplicates Z: 12 18.048 1.757 0.526 0.869 1.000 0.636 CB 1.482 12 residues pruned to eliminate duplicates Z: 20 18.284 1.819 0.960 0.615 1.000 0.474 CB 1.055 8 residues pruned to eliminate duplicates Z: 12 24.007 1.878 0.791 0.877 1.000 0.909 CB 1.563 11 residues pruned to eliminate duplicates Z: 8 4.632 1.501 0.660 0.650 1.000 0.571 CB 0.612 Z: 27 13.958 1.733 0.527 0.511 0.885 0.462 CB 1.157 7 residues pruned to eliminate duplicates Z: 10 11.508 1.801 0.899 0.671 1.000 0.333 CB 0.957 10 residues pruned to eliminate duplicates Z: 16 20.127 1.765 0.598 0.913 1.000 0.800 CB 1.304 16 residues pruned to eliminate duplicates Z: 15 10.374 1.628 0.305 0.847 1.000 0.857 CB 0.969 15 residues pruned to eliminate duplicates Z: 13 15.742 1.714 0.662 0.863 0.917 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 13 17.168 1.869 0.697 0.821 1.000 0.500 CB 1.183 13 residues pruned to eliminate duplicates Z: 16 19.401 1.786 0.446 0.928 1.000 1.000 CB 1.358 16 residues pruned to eliminate duplicates Z: 14 14.644 1.724 0.621 0.778 0.923 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 14 5.985 1.588 0.569 0.505 0.923 0.615 CB 0.718 Z: 10 6.506 1.607 0.116 0.810 1.000 0.889 CB 0.923 9 residues pruned to eliminate duplicates Z: 12 5.025 1.404 0.517 0.355 0.818 0.545 N 1.017 Z: 19 22.212 1.667 0.873 0.912 0.944 0.722 CB 1.257 19 residues pruned to eliminate duplicates Z: 8 9.039 1.576 0.463 0.779 0.857 0.714 O 1.352 Z: 21 19.079 1.656 0.606 0.924 1.000 0.850 CB 1.127 21 residues pruned to eliminate duplicates Z: 16 19.039 1.703 0.627 0.928 1.000 0.933 CB 1.242 16 residues pruned to eliminate duplicates Z: 14 18.313 1.731 1.198 0.911 1.000 0.538 CB 0.946 9 residues pruned to eliminate duplicates Z: 11 13.787 1.648 0.779 0.840 0.900 0.800 CA 1.233 11 residues pruned to eliminate duplicates Z: 12 18.805 1.758 0.918 0.864 1.000 0.909 CA 1.233 12 residues pruned to eliminate duplicates Z: 15 10.645 1.671 0.208 0.917 1.000 0.929 CB 0.995 15 residues pruned to eliminate duplicates Z: 14 15.986 1.632 0.834 0.814 1.000 0.692 CA 1.127 Z: 8 9.873 1.665 0.359 0.729 1.000 0.857 CA 1.342 8 residues pruned to eliminate duplicates Z: 10 14.586 1.728 0.706 0.846 0.889 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 7 8.222 1.537 0.958 0.779 1.000 1.000 CA 0.871 7 residues pruned to eliminate duplicates Z: 12 16.831 1.704 0.441 0.896 1.000 0.818 N 1.480 12 residues pruned to eliminate duplicates Z: 26 15.570 1.632 0.595 0.915 0.960 0.880 CB 0.881 Z: 21 4.892 1.527 0.426 0.178 0.850 0.450 CB 0.871 18 residues pruned to eliminate duplicates Z: 13 11.395 1.604 0.570 0.855 0.917 0.750 N 1.052 Z: 13 15.596 1.631 0.491 0.905 1.000 0.833 CB 1.318 11 residues pruned to eliminate duplicates Z: 24 11.166 1.727 0.498 0.367 0.870 0.652 CB 1.194 12 residues pruned to eliminate duplicates Z: 7 14.457 1.737 0.881 0.844 1.000 0.667 CB 1.343 7 residues pruned to eliminate duplicates Z: 12 19.914 1.733 0.948 0.923 1.000 0.818 CB 1.250 13 residues pruned to eliminate duplicates Z: 10 8.870 1.672 0.258 0.881 0.889 0.889 CA 1.145 10 residues pruned to eliminate duplicates Z: 6 2.903 1.224 0.501 0.292 1.000 0.600 N 0.892 Z: 33 16.297 1.645 0.879 0.468 0.875 0.562 CB 1.101 33 residues pruned to eliminate duplicates Z: 8 5.922 1.632 0.507 0.391 0.714 0.429 CB 1.431 6 residues pruned to eliminate duplicates Z: 9 4.337 1.640 0.812 0.880 0.875 0.875 CB 0.427 Z: 10 7.704 1.616 0.297 0.570 0.889 0.667 CB 1.288 Z: 14 17.431 1.708 1.031 0.817 0.846 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 7 2.279 1.576 0.125 0.567 1.000 0.833 CB 0.492 7 residues pruned to eliminate duplicates Z: 12 9.144 1.614 0.700 0.807 0.818 0.727 CB 0.940 12 residues pruned to eliminate duplicates Z: 15 18.822 1.774 0.806 0.908 1.000 0.714 CB 1.115 15 residues pruned to eliminate duplicates Z: 24 19.889 1.762 0.760 0.621 0.957 0.739 CB 1.247 12 residues pruned to eliminate duplicates Z: 22 17.924 1.610 0.647 0.914 1.000 0.857 CB 1.043 22 residues pruned to eliminate duplicates Z: 10 11.019 1.657 0.464 0.877 1.000 0.667 CA 1.099 10 residues pruned to eliminate duplicates Z: 13 16.439 1.622 0.763 0.799 1.000 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 25 19.552 1.734 0.800 0.723 0.958 0.500 CB 1.090 31 residues pruned to eliminate duplicates Z: 19 13.769 1.678 1.083 0.565 0.778 0.444 CB 1.121 19 residues pruned to eliminate duplicates Z: 12 17.934 1.721 0.633 0.922 1.000 0.909 CB 1.353 Z: 10 12.417 1.684 0.490 0.911 1.000 1.000 CB 1.169 10 residues pruned to eliminate duplicates Z: 8 7.652 1.631 0.649 0.913 1.000 1.000 CB 0.761 Z: 11 6.263 1.325 0.335 0.747 0.900 0.700 N 0.998 8 residues pruned to eliminate duplicates Z: 12 5.666 1.485 0.816 0.393 0.727 0.273 CB 0.975 Z: 11 8.558 1.609 0.680 0.405 0.900 0.600 CB 1.230 11 residues pruned to eliminate duplicates Z: 11 13.342 1.676 0.808 0.596 0.900 0.800 CB 1.412 Z: 9 7.755 1.577 0.715 0.385 0.875 0.375 CA 1.309 8 residues pruned to eliminate duplicates Z: 12 11.590 1.688 0.554 0.899 1.000 0.909 CB 0.952 13 residues pruned to eliminate duplicates Z: 12 14.894 1.756 0.530 0.886 1.000 0.727 CB 1.206 Z: 14 12.758 1.709 0.724 0.822 1.000 0.615 CB 0.908 14 residues pruned to eliminate duplicates Z: 12 19.511 1.721 0.784 0.895 1.000 0.818 CA 1.374 12 residues pruned to eliminate duplicates Z: 12 17.176 1.670 1.010 0.919 0.909 0.364 CB 1.195 12 residues pruned to eliminate duplicates Z: 7 4.623 1.514 0.030 0.698 0.833 0.500 CB 1.211 15 residues pruned to eliminate duplicates Z: 14 12.228 1.592 0.581 0.875 0.923 0.769 CB 1.062 14 residues pruned to eliminate duplicates Z: 11 8.447 1.653 0.453 0.579 0.900 0.500 CB 1.145 10 residues pruned to eliminate duplicates Z: 12 3.221 1.535 0.416 0.277 0.636 0.364 N 0.903 Z: 12 12.316 1.620 0.477 0.931 1.000 0.909 CB 1.084 Z: 7 12.373 1.777 0.690 0.689 1.000 1.000 CB 1.415 8 residues pruned to eliminate duplicates Z: 19 20.940 1.904 0.889 0.611 0.944 0.667 CB 1.308 14 residues pruned to eliminate duplicates Z: 8 7.732 1.499 0.345 0.740 1.000 0.857 CB 1.168 8 residues pruned to eliminate duplicates Z: 7 3.737 1.649 0.585 0.630 0.833 0.500 CB 0.620 7 residues pruned to eliminate duplicates Z: 26 17.674 1.655 0.431 0.903 1.000 0.880 CB 1.063 26 residues pruned to eliminate duplicates Z: 15 17.589 1.731 0.704 0.894 1.000 0.786 CB 1.143 15 residues pruned to eliminate duplicates Z: 7 6.088 1.694 0.305 0.816 0.833 0.500 CB 1.025 7 residues pruned to eliminate duplicates Z: 6 7.396 1.651 0.778 0.625 0.800 0.800 CA 1.252 6 residues pruned to eliminate duplicates Z: 18 5.096 1.646 0.312 0.228 0.824 0.588 CB 0.954 12 residues pruned to eliminate duplicates Z: 11 19.896 1.798 0.877 0.914 1.000 0.900 CA 1.318 11 residues pruned to eliminate duplicates Z: 16 7.363 1.695 0.261 0.454 0.867 0.600 CB 1.076 16 residues pruned to eliminate duplicates Z: 13 10.213 1.608 0.621 0.794 0.917 0.500 CB 0.954 13 residues pruned to eliminate duplicates Z: 35 15.818 1.740 0.588 0.478 0.882 0.471 CB 1.138 35 residues pruned to eliminate duplicates Z: 25 23.050 1.703 0.623 0.923 1.000 0.917 CB 1.196 25 residues pruned to eliminate duplicates Z: 14 17.604 1.737 0.408 0.927 1.000 1.000 CB 1.400 14 residues pruned to eliminate duplicates Z: 11 4.002 1.541 0.597 0.315 0.800 0.500 CB 0.789 Z: 8 3.536 1.532 0.204 0.339 0.857 0.429 CB 1.008 Z: 6 3.258 1.742 0.507 0.821 1.000 0.800 CB 0.420 Z: 12 24.435 1.866 0.860 0.927 1.000 0.818 CB 1.487 12 residues pruned to eliminate duplicates Z: 8 5.203 1.609 0.195 0.611 0.857 0.857 CB 1.074 Z: 12 13.597 1.659 0.645 0.762 0.909 0.455 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 15.284 1.684 0.651 0.858 0.909 0.455 CB 1.343 12 residues pruned to eliminate duplicates Z: 24 18.218 1.566 0.626 0.920 0.957 0.913 CB 1.098 22 residues pruned to eliminate duplicates Z: 24 17.595 1.677 0.723 0.935 0.957 0.913 CB 0.925 26 residues pruned to eliminate duplicates Z: 10 6.622 1.548 0.642 0.456 0.778 0.444 CB 1.168 15 residues pruned to eliminate duplicates Z: 13 22.796 1.830 0.868 0.904 0.917 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 15.607 1.814 0.441 0.910 1.000 1.000 CB 1.094 16 residues pruned to eliminate duplicates Z: 25 17.318 1.509 0.704 0.911 0.958 0.625 CB 1.017 24 residues pruned to eliminate duplicates Z: 12 14.238 1.687 0.465 0.920 1.000 1.000 CB 1.223 12 residues pruned to eliminate duplicates Z: 11 13.341 1.712 0.398 0.901 1.000 0.900 CB 1.259 11 residues pruned to eliminate duplicates Z: 12 22.071 1.889 0.702 0.869 1.000 0.727 CB 1.511 12 residues pruned to eliminate duplicates Z: 13 8.280 1.675 0.581 0.508 0.750 0.583 CB 1.194 Z: 13 18.260 1.761 0.708 0.894 0.917 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 15 13.894 1.609 0.452 0.893 1.000 0.929 CB 1.141 14 residues pruned to eliminate duplicates Z: 11 6.467 1.649 0.199 0.608 0.800 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 26 22.730 1.675 0.653 0.887 1.000 0.800 CB 1.183 26 residues pruned to eliminate duplicates Z: 6 3.931 1.289 0.707 0.545 0.800 0.600 CB 0.956 Z: 12 14.204 1.583 0.598 0.870 1.000 0.909 CB 1.235 Z: 27 20.077 1.613 0.583 0.907 0.962 0.923 CB 1.139 27 residues pruned to eliminate duplicates Z: 10 9.559 1.554 0.213 0.877 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 22 13.214 1.661 0.585 0.915 1.000 0.905 CB 0.774 22 residues pruned to eliminate duplicates Z: 10 16.168 1.738 0.683 0.846 1.000 0.889 CB 1.369 10 residues pruned to eliminate duplicates Z: 12 11.648 1.578 0.452 0.863 0.909 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 6 4.711 1.501 0.499 0.298 1.000 0.600 CB 1.174 Z: 11 15.076 1.765 0.537 0.832 1.000 0.900 CA 1.319 11 residues pruned to eliminate duplicates Z: 12 19.703 1.831 0.736 0.881 1.000 0.818 CB 1.354 12 residues pruned to eliminate duplicates Z: 12 5.350 1.389 0.581 0.386 0.818 0.545 CB 1.013 Z: 9 10.207 1.572 0.449 0.903 1.000 0.875 CB 1.129 9 residues pruned to eliminate duplicates Z: 11 12.626 1.669 0.333 0.879 1.000 1.000 CA 1.301 11 residues pruned to eliminate duplicates Z: 7 3.783 1.452 0.384 0.457 1.000 0.833 CA 0.803 Z: 11 9.861 1.474 0.486 0.894 1.000 0.800 CB 1.021 Z: 6 4.870 1.237 0.594 0.585 1.000 0.800 O 1.018 Z: 22 17.835 1.691 0.828 0.947 1.000 0.714 CB 0.870 22 residues pruned to eliminate duplicates Z: 25 10.641 1.750 0.550 0.303 0.875 0.542 CB 1.140 25 residues pruned to eliminate duplicates Z: 26 24.206 1.675 0.763 0.931 0.960 0.960 CB 1.193 26 residues pruned to eliminate duplicates Z: 24 14.080 1.697 0.719 0.502 0.913 0.522 CB 1.099 16 residues pruned to eliminate duplicates Z: 14 13.881 1.758 0.809 0.607 0.923 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 12 17.537 1.755 0.493 0.913 1.000 1.000 CB 1.428 12 residues pruned to eliminate duplicates Z: 11 13.070 1.707 0.853 0.535 0.900 0.700 CB 1.403 11 residues pruned to eliminate duplicates Z: 10 9.788 1.518 0.782 0.598 0.889 0.778 CB 1.236 Z: 13 13.768 1.614 0.595 0.871 0.917 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 10 4.661 1.674 0.651 0.436 0.778 0.556 CB 0.772 Z: 17 14.481 1.534 1.130 0.888 0.938 0.500 CB 0.851 17 residues pruned to eliminate duplicates Z: 15 10.613 1.624 0.475 0.794 0.857 0.429 CB 1.068 11 residues pruned to eliminate duplicates Z: 9 8.725 1.487 0.767 0.914 1.000 0.875 CB 0.830 Z: 13 4.644 1.639 0.282 0.214 0.833 0.667 CB 1.072 13 residues pruned to eliminate duplicates Z: 16 13.033 1.598 0.481 0.883 1.000 0.867 CB 1.028 12 residues pruned to eliminate duplicates Z: 19 17.857 1.657 0.875 0.900 1.000 0.944 CB 0.968 18 residues pruned to eliminate duplicates Z: 25 19.909 1.533 0.805 0.918 1.000 0.625 CB 1.036 25 residues pruned to eliminate duplicates Z: 26 17.168 1.528 0.422 0.931 1.000 1.000 CB 1.104 26 residues pruned to eliminate duplicates Z: 14 6.996 1.649 0.516 0.255 0.846 0.462 CB 1.215 14 residues pruned to eliminate duplicates Z: 29 15.100 1.734 0.588 0.460 0.857 0.571 CB 1.259 29 residues pruned to eliminate duplicates Z: 14 16.624 1.775 0.540 0.896 1.000 0.923 CB 1.208 14 residues pruned to eliminate duplicates Z: 31 18.178 1.729 0.659 0.536 0.933 0.633 CB 1.196 11 residues pruned to eliminate duplicates Z: 7 3.470 1.715 0.539 0.897 1.000 1.000 CB 0.384 Z: 14 14.734 1.715 0.394 0.861 1.000 0.846 CB 1.256 14 residues pruned to eliminate duplicates Z: 11 14.326 1.749 0.533 0.846 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 21 17.185 1.828 0.858 0.569 0.900 0.600 CB 1.176 28 residues pruned to eliminate duplicates Z: 14 13.158 1.565 0.460 0.915 1.000 0.923 CB 1.129 14 residues pruned to eliminate duplicates Z: 7 5.774 1.511 0.332 0.608 1.000 0.500 CB 1.058 Z: 15 12.305 1.661 0.447 0.870 0.929 0.857 CB 1.075 15 residues pruned to eliminate duplicates Z: 9 3.937 1.477 0.518 0.255 0.875 0.500 CB 0.940 9 residues pruned to eliminate duplicates Z: 14 16.608 1.700 0.496 0.913 1.000 0.846 CB 1.283 14 residues pruned to eliminate duplicates Z: 16 12.667 1.564 0.471 0.890 1.000 0.800 CB 1.022 16 residues pruned to eliminate duplicates Z: 7 9.894 1.681 0.458 0.719 1.000 0.667 CA 1.352 Z: 12 15.438 1.695 0.427 0.905 1.000 0.909 CA 1.371 12 residues pruned to eliminate duplicates Z: 9 11.939 1.734 0.385 0.881 1.000 1.000 CB 1.273 9 residues pruned to eliminate duplicates Z: 12 22.613 1.762 0.947 0.879 1.000 0.818 CB 1.442 12 residues pruned to eliminate duplicates Z: 25 18.424 1.514 0.694 0.882 0.958 0.833 CB 1.108 25 residues pruned to eliminate duplicates Z: 24 9.746 1.714 0.650 0.225 0.870 0.565 CB 1.139 24 residues pruned to eliminate duplicates Z: 6 4.493 1.596 0.315 0.459 0.800 0.600 CB 1.248 6 residues pruned to eliminate duplicates Z: 9 2.292 1.454 -0.056 0.386 0.750 0.500 CB 0.889 Z: 6 2.733 1.501 0.340 0.415 0.600 0.200 CB 1.106 Z: 20 17.396 1.631 0.860 0.908 0.947 0.737 CB 0.987 19 residues pruned to eliminate duplicates Z: 16 20.598 1.725 0.788 0.869 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 23 15.592 1.558 0.773 0.899 0.955 0.636 CB 0.901 8 residues pruned to eliminate duplicates Z: 26 15.385 1.492 0.583 0.860 0.880 0.480 CB 1.088 26 residues pruned to eliminate duplicates Z: 10 3.243 1.508 0.389 0.234 0.667 0.333 CB 1.054 Z: 21 11.791 1.684 0.411 0.522 0.850 0.700 CB 1.277 21 residues pruned to eliminate duplicates Z: 7 8.120 1.681 0.458 0.631 0.833 0.667 CA 1.435 7 residues pruned to eliminate duplicates Z: 7 3.724 1.585 0.099 0.437 0.833 0.667 CB 1.118 Z: 12 4.820 1.630 0.425 0.471 0.818 0.364 CB 0.788 41 residues pruned to eliminate duplicates Z: 6 4.343 1.508 0.637 0.495 0.600 0.600 CA 1.318 Z: 27 22.621 1.823 0.679 0.619 0.962 0.538 CB 1.347 26 residues pruned to eliminate duplicates Z: 8 4.403 1.418 0.327 0.857 0.857 0.857 CB 0.760 Z: 13 13.713 1.570 0.763 0.843 0.917 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 14 19.748 1.606 0.970 0.844 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 13 12.615 1.672 0.676 0.754 0.917 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 12 14.869 1.596 0.657 0.879 1.000 0.818 CB 1.230 12 residues pruned to eliminate duplicates Z: 11 2.618 1.333 0.703 0.220 0.800 0.400 N 0.633 6 1.309 1.146 0.928 0.300 0.600 0.600 CB 0.552 ? Z: 11 9.455 1.596 0.213 0.886 1.000 0.800 CA 1.114 11 residues pruned to eliminate duplicates Z: 14 17.732 1.504 1.008 0.827 0.923 0.615 CA 1.330 Z: 16 18.338 1.719 0.508 0.899 1.000 0.867 CB 1.306 16 residues pruned to eliminate duplicates Z: 25 13.484 1.528 0.492 0.884 0.917 0.792 CB 0.952 25 residues pruned to eliminate duplicates Z: 17 5.896 1.504 0.589 0.517 0.875 0.562 CB 0.693 Z: 6 4.934 1.575 0.617 0.335 0.800 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 9 4.978 1.587 0.614 0.445 0.750 0.375 N 0.969 7 residues pruned to eliminate duplicates Z: 25 17.231 1.630 0.557 0.903 1.000 0.792 CB 0.988 25 residues pruned to eliminate duplicates Z: 16 17.851 1.755 0.516 0.895 1.000 0.667 CB 1.242 16 residues pruned to eliminate duplicates Z: 9 2.526 1.476 0.655 0.282 0.500 0.375 CB 0.936 Z: 7 5.350 1.652 0.132 0.613 0.833 0.500 CB 1.259 7 residues pruned to eliminate duplicates Z: 15 11.150 1.556 0.429 0.880 0.929 0.714 CB 1.046 15 residues pruned to eliminate duplicates Z: 9 5.809 1.596 0.117 0.545 0.875 0.500 CB 1.261 Z: 21 17.253 1.621 0.719 0.926 0.950 0.650 CB 1.022 21 residues pruned to eliminate duplicates Z: 9 3.712 1.563 0.290 0.283 0.875 0.500 CB 0.950 Z: 8 2.577 1.570 -0.226 0.374 0.857 0.571 CB 1.071 Z: 26 21.139 1.685 0.616 0.926 1.000 0.840 CB 1.089 26 residues pruned to eliminate duplicates Z: 6 6.506 1.554 1.009 0.466 0.800 0.800 O 1.205 6 residues pruned to eliminate duplicates Z: 15 10.364 1.622 0.637 0.613 0.857 0.643 CB 1.093 9 residues pruned to eliminate duplicates Z: 13 5.440 1.611 0.724 0.503 0.833 0.750 CB 0.677 5 residues pruned to eliminate duplicates Z: 15 17.464 1.764 0.394 0.922 1.000 1.000 CB 1.335 15 residues pruned to eliminate duplicates Z: 12 9.531 1.583 0.146 0.800 1.000 0.455 N 1.218 12 residues pruned to eliminate duplicates Z: 26 22.989 1.706 0.646 0.941 1.000 0.920 CB 1.136 26 residues pruned to eliminate duplicates Z: 43 20.952 1.783 0.802 0.451 0.881 0.571 CB 1.201 43 residues pruned to eliminate duplicates Z: 21 9.629 1.409 0.653 0.565 0.900 0.550 CB 0.964 Z: 13 15.051 1.732 0.606 0.815 1.000 0.583 CB 1.188 13 residues pruned to eliminate duplicates Z: 10 20.390 1.855 0.777 0.844 1.000 0.889 CA 1.534 10 residues pruned to eliminate duplicates Z: 15 17.525 1.730 0.564 0.933 1.000 1.000 CB 1.208 15 residues pruned to eliminate duplicates Z: 6 3.445 1.428 1.010 0.444 0.600 0.600 N 0.947 Z: 11 9.171 1.576 0.479 0.841 1.000 0.800 CB 0.928 Z: 12 11.167 1.592 0.448 0.885 1.000 0.818 CB 1.055 12 residues pruned to eliminate duplicates Z: 19 6.644 1.565 0.327 0.447 0.778 0.500 CB 1.023 19 residues pruned to eliminate duplicates Z: 6 4.581 1.403 0.490 0.495 1.000 0.800 CB 0.985 5 residues pruned to eliminate duplicates Z: 10 12.039 1.734 0.688 0.886 0.889 0.667 N 1.112 12 residues pruned to eliminate duplicates Z: 15 9.894 1.706 1.120 0.864 0.857 0.643 CB 0.625 Z: 8 7.846 1.668 0.619 0.580 0.857 0.571 CB 1.186 8 residues pruned to eliminate duplicates Z: 10 9.123 1.470 0.451 0.916 1.000 1.000 CB 1.007 9 residues pruned to eliminate duplicates Z: 6 3.099 1.529 0.198 0.579 0.800 0.600 CB 0.877 3 residues pruned to eliminate duplicates Z: 11 2.854 1.301 0.414 0.251 0.700 0.200 N 0.932 Z: 16 9.416 1.772 0.743 0.335 0.867 0.467 CB 1.088 26 residues pruned to eliminate duplicates Z: 12 19.819 1.697 0.977 0.862 1.000 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 15 18.229 1.726 0.626 0.918 1.000 0.786 CB 1.224 15 residues pruned to eliminate duplicates Z: 21 12.560 1.551 0.432 0.915 1.000 0.850 CB 0.893 15 residues pruned to eliminate duplicates Z: 34 18.573 1.745 0.850 0.526 0.879 0.606 CB 1.111 25 residues pruned to eliminate duplicates Z: 12 6.326 1.453 0.490 0.448 0.909 0.636 CB 1.022 12 residues pruned to eliminate duplicates Z: 57 23.638 1.808 0.745 0.467 0.857 0.554 CB 1.208 55 residues pruned to eliminate duplicates Z: 8 2.750 1.503 0.174 0.377 0.714 0.571 CB 0.941 Z: 16 7.762 1.567 0.305 0.527 0.867 0.533 CB 1.101 14 residues pruned to eliminate duplicates Z: 7 5.607 1.458 0.659 0.573 1.000 0.500 CB 0.882 Z: 21 15.529 1.756 0.906 0.566 0.800 0.550 CB 1.216 21 residues pruned to eliminate duplicates Z: 11 7.171 1.610 0.750 0.568 0.800 0.700 CB 0.942 9 residues pruned to eliminate duplicates Z: 6 4.140 1.617 0.345 0.299 1.000 0.400 CB 1.066 4 residues pruned to eliminate duplicates Z: 11 17.468 1.820 0.434 0.886 1.000 0.800 CB 1.528 11 residues pruned to eliminate duplicates Z: 12 11.129 1.550 0.405 0.831 1.000 0.909 CB 1.157 12 residues pruned to eliminate duplicates Z: 14 23.297 1.595 1.175 0.887 1.000 0.692 CA 1.343 17 residues pruned to eliminate duplicates Z: 9 7.094 1.715 0.627 0.407 0.750 0.375 CA 1.322 9 residues pruned to eliminate duplicates 6 1.426 1.439 0.708 0.366 0.600 0.400 CB 0.499 ? Z: 6 4.891 1.376 0.724 0.741 0.800 0.600 CA 0.928 6 residues pruned to eliminate duplicates Z: 8 8.113 1.704 0.884 0.497 0.714 0.571 CB 1.341 8 residues pruned to eliminate duplicates Z: 20 12.993 1.742 0.538 0.546 0.895 0.526 CB 1.188 20 residues pruned to eliminate duplicates Z: 10 10.245 1.637 0.963 0.882 1.000 0.889 CB 0.769 Z: 6 3.941 1.888 0.006 0.530 0.800 0.400 N 1.125 Z: 22 21.917 1.875 0.733 0.650 0.952 0.667 CB 1.344 22 residues pruned to eliminate duplicates Z: 7 5.056 1.560 0.184 0.501 1.000 0.667 O 1.117 Z: 15 16.910 1.715 0.529 0.861 1.000 0.643 CB 1.267 15 residues pruned to eliminate duplicates Z: 7 7.084 1.438 0.692 0.674 1.000 0.667 CB 1.012 Z: 11 14.760 1.704 0.366 0.917 1.000 0.900 CA 1.415 11 residues pruned to eliminate duplicates Z: 16 17.059 1.753 0.760 0.546 1.000 0.667 CB 1.365 16 residues pruned to eliminate duplicates Z: 27 18.103 1.638 0.688 0.889 0.885 0.885 CB 1.045 27 residues pruned to eliminate duplicates Z: 10 10.581 1.618 0.421 0.863 1.000 0.889 CB 1.125 11 residues pruned to eliminate duplicates Z: 25 18.456 1.520 0.644 0.918 0.958 0.917 CB 1.110 25 residues pruned to eliminate duplicates Z: 11 8.338 1.464 0.190 0.854 1.000 0.900 CB 1.118 6 residues pruned to eliminate duplicates Z: 14 18.347 1.877 0.692 0.930 1.000 1.000 CB 1.120 14 residues pruned to eliminate duplicates Z: 21 13.384 1.586 0.902 0.516 0.850 0.650 CA 1.148 21 residues pruned to eliminate duplicates Z: 9 8.584 1.544 0.303 0.869 1.000 0.875 CB 1.103 10 residues pruned to eliminate duplicates Z: 10 8.057 1.484 0.615 0.889 0.889 0.778 CB 0.908 Z: 11 13.169 1.727 0.397 0.791 1.000 0.900 CB 1.338 11 residues pruned to eliminate duplicates Z: 14 13.097 1.642 0.493 0.924 1.000 0.692 CB 1.040 14 residues pruned to eliminate duplicates Z: 8 5.058 1.698 0.269 0.588 0.857 0.571 CB 0.952 8 residues pruned to eliminate duplicates Z: 7 3.212 1.485 0.107 0.427 1.000 0.833 CB 0.861 6 residues pruned to eliminate duplicates Z: 25 20.546 1.655 0.837 0.900 0.958 0.833 CB 1.028 25 residues pruned to eliminate duplicates Z: 12 10.840 1.535 0.398 0.665 1.000 0.818 CB 1.308 Z: 9 8.296 1.743 0.472 0.674 0.875 0.750 CB 1.112 9 residues pruned to eliminate duplicates Z: 12 4.992 1.664 0.212 0.443 0.909 0.455 CB 0.870 12 residues pruned to eliminate duplicates Z: 22 14.760 1.665 0.466 0.933 1.000 0.952 CB 0.921 22 residues pruned to eliminate duplicates 6 1.723 1.205 0.461 0.447 0.600 0.600 CB 0.770 ? Z: 7 3.494 1.423 0.704 0.524 0.667 0.667 O 0.862 Z: 9 7.201 1.623 0.787 0.365 1.000 0.375 CB 1.015 9 residues pruned to eliminate duplicates Z: 19 16.353 1.692 0.828 0.596 0.889 0.667 CB 1.279 19 residues pruned to eliminate duplicates Z: 19 13.788 1.743 0.643 0.594 0.889 0.611 CB 1.167 19 residues pruned to eliminate duplicates Z: 16 5.718 1.557 0.677 0.330 0.733 0.533 CB 0.928 16 residues pruned to eliminate duplicates Z: 32 15.187 1.716 0.857 0.539 0.839 0.613 CB 0.982 26 residues pruned to eliminate duplicates Z: 14 16.291 1.755 0.358 0.916 1.000 1.000 CB 1.339 14 residues pruned to eliminate duplicates Z: 8 5.830 1.615 0.603 0.654 0.857 0.714 CB 0.860 Z: 20 24.202 1.873 0.949 0.613 0.947 0.579 CB 1.443 20 residues pruned to eliminate duplicates Z: 7 6.873 1.652 0.684 0.845 1.000 0.833 CB 0.750 6 residues pruned to eliminate duplicates Z: 19 12.851 1.640 0.560 0.682 0.944 0.778 CB 1.061 12 residues pruned to eliminate duplicates Z: 9 8.841 1.447 0.592 0.682 1.000 0.500 O 1.148 Z: 15 6.928 1.505 0.710 0.504 0.857 0.500 CB 0.836 Z: 15 10.196 1.671 0.550 0.904 1.000 0.714 CB 0.749 Z: 13 8.502 1.663 0.450 0.611 0.833 0.667 CB 1.099 13 residues pruned to eliminate duplicates Z: 16 10.841 1.563 0.426 0.838 0.933 0.800 CB 1.006 15 residues pruned to eliminate duplicates Z: 9 5.765 1.341 0.815 0.855 0.875 0.750 CB 0.706 Z: 21 10.347 1.532 0.287 0.678 0.950 0.750 CB 1.049 16 residues pruned to eliminate duplicates Z: 10 9.232 1.569 0.315 0.902 1.000 0.667 CB 1.064 10 residues pruned to eliminate duplicates Z: 7 3.272 1.551 0.171 0.631 1.000 1.000 CB 0.650 7 residues pruned to eliminate duplicates Z: 28 23.332 1.614 0.790 0.861 0.963 0.852 CB 1.186 28 residues pruned to eliminate duplicates Z: 26 16.620 1.766 0.769 0.486 0.840 0.560 CB 1.285 27 residues pruned to eliminate duplicates Z: 18 16.574 1.721 0.449 0.923 1.000 0.824 CB 1.133 18 residues pruned to eliminate duplicates Z: 7 2.695 1.355 0.704 0.248 0.667 0.333 N 0.955 Z: 18 18.294 1.672 0.967 0.935 1.000 0.765 CB 0.940 18 residues pruned to eliminate duplicates Z: 33 14.285 1.562 0.549 0.598 0.875 0.500 CB 1.086 13 residues pruned to eliminate duplicates Z: 6 4.437 1.242 0.393 0.823 1.000 0.600 CA 0.866 Z: 11 12.886 1.669 0.788 0.847 0.900 0.800 CB 1.126 11 residues pruned to eliminate duplicates Z: 10 8.346 1.721 0.380 0.804 0.778 0.667 CB 1.156 10 residues pruned to eliminate duplicates Z: 11 14.763 1.551 0.693 0.883 1.000 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 4.541 1.553 0.188 0.525 0.875 0.500 CB 0.970 8 residues pruned to eliminate duplicates Z: 6 7.101 1.629 0.564 0.600 0.800 0.600 N 1.417 6 residues pruned to eliminate duplicates Z: 11 11.799 1.643 0.548 0.595 1.000 0.800 N 1.340 8 residues pruned to eliminate duplicates Z: 7 2.117 1.598 0.257 0.684 0.667 0.667 CB 0.545 Z: 9 4.059 1.505 0.151 0.424 0.875 0.750 CB 1.024 9 residues pruned to eliminate duplicates Z: 13 3.636 1.458 0.139 0.324 0.750 0.417 CB 1.023 10 residues pruned to eliminate duplicates Z: 27 15.474 1.788 0.612 0.472 0.846 0.538 CB 1.280 27 residues pruned to eliminate duplicates Z: 11 12.062 1.608 0.805 0.598 0.900 0.700 CB 1.329 11 residues pruned to eliminate duplicates Z: 19 14.003 1.628 0.798 0.757 1.000 0.667 CB 0.897 24 residues pruned to eliminate duplicates Z: 22 15.125 1.541 0.551 0.887 0.905 0.857 CB 1.100 22 residues pruned to eliminate duplicates Z: 17 15.261 1.598 0.612 0.888 0.938 0.562 CB 1.138 17 residues pruned to eliminate duplicates Z: 7 2.868 1.433 0.729 0.809 0.833 0.833 CB 0.433 Z: 20 14.077 1.744 0.601 0.558 0.895 0.684 CB 1.222 20 residues pruned to eliminate duplicates Z: 16 6.669 1.257 0.586 0.797 0.867 0.600 CB 0.768 8 residues pruned to eliminate duplicates Z: 9 9.246 1.534 0.649 0.829 1.000 0.875 CB 0.972 6 residues pruned to eliminate duplicates Z: 13 25.685 1.890 0.842 0.904 1.000 0.917 CA 1.516 13 residues pruned to eliminate duplicates Z: 14 10.921 1.611 0.328 0.859 0.923 0.846 CB 1.129 14 residues pruned to eliminate duplicates 6 1.990 1.285 0.256 0.595 0.800 0.600 CB 0.629 ? Z: 26 17.513 1.630 0.601 0.922 1.000 0.880 CB 0.943 26 residues pruned to eliminate duplicates Z: 9 6.438 1.513 0.579 0.579 1.000 0.625 CB 0.883 Z: 25 21.233 1.871 0.696 0.634 0.958 0.792 CB 1.256 25 residues pruned to eliminate duplicates Z: 9 3.396 1.491 0.404 0.302 0.750 0.250 N 0.953 Z: 7 4.860 1.555 0.728 0.686 0.833 0.667 CB 0.747 Z: 16 13.496 1.616 0.504 0.880 1.000 0.667 CB 1.039 16 residues pruned to eliminate duplicates Z: 10 7.013 1.515 0.456 0.491 0.889 0.333 CB 1.204 10 residues pruned to eliminate duplicates Z: 24 11.361 1.567 0.597 0.489 0.913 0.522 CB 1.048 24 residues pruned to eliminate duplicates Z: 23 15.613 1.707 0.825 0.640 0.864 0.682 CB 1.086 25 residues pruned to eliminate duplicates Z: 7 2.826 1.377 0.223 0.456 1.000 0.667 CB 0.716 Z: 10 7.662 1.405 0.274 0.844 1.000 0.889 CB 1.061 9 residues pruned to eliminate duplicates Z: 21 18.346 1.633 0.691 0.922 1.000 0.950 CB 1.045 21 residues pruned to eliminate duplicates Z: 23 14.211 1.657 0.506 0.901 0.955 0.864 CB 0.908 23 residues pruned to eliminate duplicates Z: 13 22.124 1.736 0.842 0.885 1.000 0.750 CA 1.443 13 residues pruned to eliminate duplicates Z: 12 7.749 1.537 0.342 0.860 0.909 0.636 CB 0.916 9 residues pruned to eliminate duplicates Z: 31 11.027 1.699 0.471 0.503 0.867 0.633 CB 0.927 43 residues pruned to eliminate duplicates Z: 18 18.426 1.679 0.994 0.908 0.941 0.765 CB 1.007 20 residues pruned to eliminate duplicates Z: 13 10.756 1.593 0.423 0.873 0.833 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 21 14.577 1.539 0.829 0.888 0.950 0.750 CB 0.878 21 residues pruned to eliminate duplicates Z: 8 4.160 1.437 0.695 0.588 0.571 0.571 CB 1.039 8 residues pruned to eliminate duplicates Z: 16 14.997 1.608 0.700 0.849 0.933 0.600 CB 1.125 16 residues pruned to eliminate duplicates Z: 12 12.450 1.465 0.727 0.820 1.000 0.727 CB 1.124 11 residues pruned to eliminate duplicates Z: 10 6.712 1.504 0.352 0.580 0.889 0.778 CB 1.146 10 residues pruned to eliminate duplicates Z: 7 7.563 1.622 0.489 0.711 0.833 0.833 CB 1.267 7 residues pruned to eliminate duplicates Z: 24 18.423 1.728 0.793 0.709 0.957 0.739 CB 1.072 25 residues pruned to eliminate duplicates Z: 29 17.486 1.678 0.657 0.655 0.893 0.607 CB 1.152 29 residues pruned to eliminate duplicates Z: 7 4.011 1.439 0.452 0.432 0.833 0.500 N 1.008 Z: 17 12.511 1.693 0.445 0.722 0.875 0.812 CB 1.196 17 residues pruned to eliminate duplicates Z: 13 23.634 1.753 1.046 0.862 1.000 0.667 CA 1.397 13 residues pruned to eliminate duplicates Z: 20 6.673 1.511 0.327 0.415 0.789 0.526 CB 1.058 20 residues pruned to eliminate duplicates Z: 6 3.482 1.514 0.334 0.336 0.800 0.600 CB 1.153 Z: 6 3.075 1.345 0.592 0.436 0.800 0.200 CB 0.858 Z: 15 12.568 1.742 0.304 0.842 0.929 0.929 CB 1.187 15 residues pruned to eliminate duplicates Z: 8 7.131 1.510 0.253 0.700 1.000 0.571 N 1.186 8 residues pruned to eliminate duplicates Z: 12 17.814 1.708 0.586 0.933 1.000 0.909 CA 1.384 12 residues pruned to eliminate duplicates Z: 20 13.723 1.744 0.532 0.505 0.895 0.684 CB 1.310 Z: 12 6.973 1.448 0.573 0.665 0.818 0.364 CB 0.968 Z: 8 8.928 1.734 0.024 0.880 1.000 1.000 CA 1.377 8 residues pruned to eliminate duplicates Z: 19 17.636 1.726 0.668 0.928 1.000 0.889 CB 1.011 19 residues pruned to eliminate duplicates Z: 7 6.840 1.524 0.343 0.772 1.000 1.000 CB 1.073 Z: 17 13.855 1.611 0.612 0.898 1.000 0.938 CB 0.954 17 residues pruned to eliminate duplicates Z: 11 6.743 1.341 0.485 0.637 0.900 0.500 CA 1.046 Z: 11 5.240 1.657 0.577 0.856 1.000 0.800 CB 0.468 8 residues pruned to eliminate duplicates Z: 15 17.416 1.739 0.744 0.870 0.929 0.429 CB 1.207 15 residues pruned to eliminate duplicates Z: 8 3.873 1.400 0.139 0.764 0.714 0.714 CB 1.016 Z: 7 3.854 1.427 0.077 0.773 1.000 0.833 CB 0.804 Z: 10 5.320 1.443 0.384 0.893 1.000 0.889 CB 0.637 10 residues pruned to eliminate duplicates Z: 7 5.390 1.286 0.639 0.642 0.833 0.333 CA 1.097 Z: 32 16.108 1.691 0.641 0.532 0.903 0.613 CB 1.119 32 residues pruned to eliminate duplicates Z: 7 7.884 1.454 0.828 0.885 1.000 0.500 CB 0.875 7 residues pruned to eliminate duplicates Z: 9 8.617 1.435 0.350 0.763 1.000 0.750 N 1.245 17 residues pruned to eliminate duplicates Z: 10 6.963 1.575 0.279 0.837 0.889 0.889 CB 0.970 10 residues pruned to eliminate duplicates Z: 13 11.530 1.598 0.819 0.622 0.833 0.417 CB 1.224 8 residues pruned to eliminate duplicates Z: 13 8.870 1.580 0.661 0.634 0.833 0.667 CB 1.032 13 residues pruned to eliminate duplicates Z: 26 16.503 1.755 0.809 0.525 0.920 0.600 CB 1.103 20 residues pruned to eliminate duplicates Z: 15 14.060 1.564 0.782 0.901 0.929 0.429 CB 1.036 15 residues pruned to eliminate duplicates 6 1.787 1.417 0.109 0.292 0.800 0.400 CB 0.804 ? Z: 8 6.365 1.534 0.379 0.601 1.000 0.857 CB 1.033 8 residues pruned to eliminate duplicates Z: 10 4.105 1.364 0.450 0.328 0.778 0.444 N 1.074 Z: 11 8.922 1.532 0.409 0.590 1.000 0.700 N 1.199 Z: 19 8.059 1.450 0.179 0.552 0.889 0.556 CB 1.188 13 residues pruned to eliminate duplicates Z: 10 12.769 1.593 0.540 0.889 1.000 0.778 CB 1.248 10 residues pruned to eliminate duplicates Z: 21 17.463 1.643 0.723 0.939 1.000 0.950 CB 0.959 21 residues pruned to eliminate duplicates Z: 25 17.999 1.660 0.712 0.926 1.000 0.917 CB 0.907 25 residues pruned to eliminate duplicates Z: 12 13.429 1.722 0.289 0.873 1.000 1.000 CB 1.328 12 residues pruned to eliminate duplicates Z: 10 7.291 1.445 0.474 0.824 0.889 0.667 CB 0.970 10 residues pruned to eliminate duplicates Z: 9 6.158 1.525 0.682 0.394 0.875 0.375 CA 1.085 Z: 19 18.317 1.659 0.849 0.934 1.000 0.833 CB 0.982 19 residues pruned to eliminate duplicates Z: 14 9.811 1.636 0.298 0.846 1.000 0.769 CB 0.952 14 residues pruned to eliminate duplicates Z: 13 10.441 1.667 0.439 0.917 1.000 0.917 CB 0.886 13 residues pruned to eliminate duplicates Z: 18 4.960 1.477 0.384 0.284 0.882 0.588 CB 0.850 18 residues pruned to eliminate duplicates Z: 9 3.085 1.316 0.290 0.437 0.750 0.625 CB 0.914 Z: 9 6.359 1.589 0.410 0.846 0.875 0.500 CB 0.852 9 residues pruned to eliminate duplicates Z: 14 21.539 1.705 1.073 0.866 1.000 0.769 CB 1.237 14 residues pruned to eliminate duplicates Z: 13 4.542 1.493 0.083 0.392 0.833 0.583 CB 1.090 7 residues pruned to eliminate duplicates Z: 21 13.007 1.638 0.511 0.622 0.900 0.600 CB 1.164 12 residues pruned to eliminate duplicates Z: 6 5.912 1.508 0.458 0.620 1.000 0.600 CB 1.074 Z: 11 8.696 1.610 0.413 0.891 1.000 1.000 CB 0.869 10 residues pruned to eliminate duplicates Z: 17 11.030 1.538 0.479 0.593 0.938 0.438 CB 1.183 17 residues pruned to eliminate duplicates Z: 6 2.074 1.391 0.466 0.299 1.000 0.400 CB 0.569 Z: 13 13.339 1.723 0.613 0.764 0.917 0.667 CB 1.196 12 residues pruned to eliminate duplicates Z: 23 13.166 1.755 0.656 0.486 0.909 0.545 CB 1.078 23 residues pruned to eliminate duplicates Z: 14 4.954 1.512 0.752 0.327 0.769 0.462 CB 0.815 7 residues pruned to eliminate duplicates Z: 10 4.935 1.564 0.551 0.795 0.889 0.889 CB 0.589 Z: 12 6.333 1.624 0.579 0.479 0.727 0.727 CB 1.046 12 residues pruned to eliminate duplicates Z: 19 7.836 1.613 0.609 0.517 0.833 0.556 CB 0.840 19 residues pruned to eliminate duplicates Z: 19 10.463 1.542 0.733 0.591 0.722 0.667 CB 1.171 19 residues pruned to eliminate duplicates Z: 15 12.935 1.842 0.592 0.513 0.929 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 14 15.468 1.613 0.808 0.899 1.000 0.923 CB 1.051 15 residues pruned to eliminate duplicates Z: 6 2.027 1.555 0.407 0.231 0.600 0.400 CB 0.944 Z: 14 7.792 1.352 0.491 0.905 1.000 0.769 CB 0.763 Z: 16 18.195 1.686 0.582 0.904 1.000 1.000 CB 1.255 16 residues pruned to eliminate duplicates Z: 13 25.438 1.911 1.143 0.717 1.000 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 8 4.973 1.197 0.246 0.816 1.000 0.714 CB 0.958 Z: 22 8.125 1.526 0.443 0.412 0.810 0.524 CB 1.090 22 residues pruned to eliminate duplicates Z: 27 16.260 1.624 0.766 0.611 0.846 0.615 CB 1.182 38 residues pruned to eliminate duplicates Z: 8 7.279 1.439 0.301 0.793 1.000 0.714 CA 1.136 8 residues pruned to eliminate duplicates Z: 11 12.993 1.656 0.762 0.842 0.800 0.700 CA 1.311 11 residues pruned to eliminate duplicates Z: 6 3.986 1.188 0.380 0.782 1.000 0.600 CB 0.848 6 residues pruned to eliminate duplicates Z: 14 16.920 1.598 0.818 0.905 1.000 0.846 CB 1.150 14 residues pruned to eliminate duplicates Z: 13 13.550 1.686 0.596 0.851 0.917 0.750 CB 1.174 13 residues pruned to eliminate duplicates Z: 19 17.587 1.747 0.698 0.607 0.944 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 21 7.575 1.581 0.664 0.579 0.800 0.400 CB 0.746 21 residues pruned to eliminate duplicates Z: 11 16.169 1.756 0.537 0.916 1.000 0.900 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 10.165 1.665 0.300 0.582 1.000 0.455 CB 1.309 12 residues pruned to eliminate duplicates Z: 13 14.978 1.660 0.721 0.926 1.000 0.917 CB 1.062 13 residues pruned to eliminate duplicates Z: 22 12.041 1.727 0.649 0.408 0.905 0.524 CB 1.123 22 residues pruned to eliminate duplicates Z: 12 3.671 1.499 0.306 0.235 0.818 0.455 CB 0.940 9 residues pruned to eliminate duplicates Z: 10 2.931 1.458 0.278 0.606 0.889 0.444 CB 0.533 Z: 8 5.695 1.374 0.619 0.849 1.000 0.714 CB 0.718 Z: 12 7.941 1.602 0.281 0.880 1.000 0.818 CB 0.845 12 residues pruned to eliminate duplicates Z: 6 4.321 1.626 0.380 0.878 1.000 1.000 CB 0.625 6 residues pruned to eliminate duplicates Z: 20 17.568 1.753 0.611 0.669 0.947 0.684 CB 1.289 12 residues pruned to eliminate duplicates Z: 10 4.262 1.515 0.317 0.416 1.000 0.333 CB 0.777 Z: 15 13.036 1.659 0.530 0.701 0.929 0.643 CB 1.231 15 residues pruned to eliminate duplicates Z: 8 8.872 1.508 0.679 0.907 1.000 1.000 CB 0.941 Z: 21 12.876 1.556 0.508 0.914 1.000 0.800 CB 0.868 21 residues pruned to eliminate duplicates 6 1.410 1.321 0.102 0.292 0.800 0.800 CB 0.684 ? Z: 35 9.938 1.677 0.454 0.251 0.853 0.588 CB 1.092 35 residues pruned to eliminate duplicates Z: 10 5.769 1.444 0.364 0.851 1.000 0.667 CB 0.723 10 residues pruned to eliminate duplicates 6 1.332 1.650 0.538 0.125 0.400 0.200 CB 0.940 ? Z: 9 11.651 1.606 1.321 0.777 1.000 0.875 CB 0.865 10 residues pruned to eliminate duplicates Z: 13 11.470 1.556 0.384 0.861 1.000 0.917 CB 1.130 13 residues pruned to eliminate duplicates Z: 12 19.707 1.814 0.644 0.915 1.000 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 18 16.539 1.666 0.649 0.915 1.000 0.824 CB 1.032 18 residues pruned to eliminate duplicates Z: 15 19.211 1.651 0.734 0.884 0.929 0.786 CB 1.395 15 residues pruned to eliminate duplicates Z: 9 3.695 1.659 0.599 0.859 1.000 1.000 CB 0.362 Z: 43 23.628 1.711 0.839 0.584 0.929 0.500 CB 1.151 45 residues pruned to eliminate duplicates Z: 24 16.743 1.603 0.655 0.897 0.957 0.565 CB 0.985 24 residues pruned to eliminate duplicates Z: 13 18.932 1.707 0.690 0.893 1.000 0.917 CB 1.360 13 residues pruned to eliminate duplicates Z: 22 16.944 1.700 0.799 0.542 0.905 0.667 N 1.282 21 residues pruned to eliminate duplicates Z: 13 15.964 1.764 0.852 0.923 1.000 0.833 CB 0.991 13 residues pruned to eliminate duplicates Z: 9 2.172 1.531 0.322 0.348 0.625 0.250 CB 0.716 Z: 11 6.345 1.576 0.428 0.452 0.900 0.500 CB 1.041 11 residues pruned to eliminate duplicates Z: 12 4.014 1.479 0.175 0.503 0.636 0.455 O 1.091 5 residues pruned to eliminate duplicates Z: 11 9.741 1.565 0.362 0.862 1.000 0.700 CB 1.061 11 residues pruned to eliminate duplicates Z: 8 5.282 1.739 0.236 0.889 1.000 1.000 CB 0.669 Z: 33 18.160 1.848 0.604 0.498 0.875 0.594 CB 1.241 33 residues pruned to eliminate duplicates Z: 9 8.217 1.337 0.471 0.784 1.000 0.750 CA 1.151 9 residues pruned to eliminate duplicates Z: 11 19.817 1.794 0.831 0.870 1.000 0.900 CB 1.392 11 residues pruned to eliminate duplicates Z: 9 5.941 1.482 0.341 0.702 0.875 0.250 CB 1.004 Z: 12 6.153 1.518 0.222 0.477 0.818 0.636 O 1.251 12 residues pruned to eliminate duplicates Z: 43 18.720 1.704 0.733 0.449 0.905 0.690 CB 1.139 50 residues pruned to eliminate duplicates Z: 7 3.053 1.380 0.485 0.552 1.000 0.667 CB 0.578 Z: 12 6.993 1.440 0.503 0.553 0.909 0.636 CB 1.017 12 residues pruned to eliminate duplicates Z: 15 14.428 1.754 0.491 0.759 1.000 0.786 CB 1.170 14 residues pruned to eliminate duplicates Z: 9 6.909 1.434 0.363 0.755 1.000 0.875 CB 0.996 8 residues pruned to eliminate duplicates Z: 11 2.517 1.399 0.647 0.218 0.700 0.400 CB 0.687 Z: 7 5.478 1.506 0.765 0.599 0.833 0.833 N 0.919 Z: 7 6.348 1.680 0.933 0.872 1.000 0.833 CB 0.582 6 residues pruned to eliminate duplicates Z: 9 3.850 1.408 0.434 0.784 0.875 0.750 CB 0.601 Z: 14 14.648 1.545 0.602 0.864 1.000 0.846 CB 1.203 12 residues pruned to eliminate duplicates Z: 15 9.449 1.605 0.592 0.824 0.714 0.429 CB 1.046 15 residues pruned to eliminate duplicates Z: 18 6.636 1.526 0.541 0.509 0.765 0.471 CB 0.887 15 residues pruned to eliminate duplicates Z: 11 4.020 1.268 0.382 0.487 0.900 0.500 CB 0.817 8 residues pruned to eliminate duplicates Z: 18 17.119 1.692 0.408 0.918 1.000 0.882 CB 1.229 18 residues pruned to eliminate duplicates Z: 13 12.401 1.744 0.548 0.856 1.000 0.750 CB 0.978 13 residues pruned to eliminate duplicates Z: 7 7.766 1.490 0.497 0.714 1.000 0.667 CB 1.170 18 residues pruned to eliminate duplicates Z: 11 10.144 1.535 0.390 0.794 1.000 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 6 4.114 1.515 0.777 0.546 0.800 0.800 CB 0.816 Z: 13 17.274 1.609 0.733 0.864 1.000 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 10 3.315 1.523 0.762 0.909 1.000 0.889 CB 0.292 Z: 13 12.281 1.721 0.541 0.753 1.000 0.833 CB 1.066 13 residues pruned to eliminate duplicates Z: 7 6.930 1.653 0.376 0.749 0.833 0.667 CB 1.195 7 residues pruned to eliminate duplicates Z: 7 3.483 1.377 1.054 0.396 0.667 0.500 N 0.842 Z: 13 20.512 1.726 0.783 0.906 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 41 18.056 1.612 0.714 0.603 0.875 0.450 CB 1.071 38 residues pruned to eliminate duplicates Z: 10 7.542 1.471 0.534 0.907 1.000 0.889 CB 0.792 8 residues pruned to eliminate duplicates Z: 12 5.597 1.342 0.550 0.765 0.818 0.455 CB 0.784 10 residues pruned to eliminate duplicates Z: 16 13.288 1.551 0.610 0.931 1.000 1.000 CB 0.961 16 residues pruned to eliminate duplicates Z: 6 4.586 1.644 0.250 0.379 1.000 0.600 CB 1.135 8 1.598 1.404 0.256 0.267 0.571 0.286 N 0.781 ? Z: 12 9.096 1.687 0.745 0.631 0.818 0.636 CB 1.007 12 residues pruned to eliminate duplicates Z: 10 7.299 1.479 0.444 0.885 1.000 0.333 CB 0.822 8 residues pruned to eliminate duplicates Z: 13 6.394 1.358 0.679 0.905 1.000 0.750 CB 0.576 10 residues pruned to eliminate duplicates Z: 24 16.302 1.669 0.865 0.768 0.913 0.522 CB 0.943 24 residues pruned to eliminate duplicates Z: 22 14.940 1.709 0.650 0.699 0.905 0.667 CB 1.066 22 residues pruned to eliminate duplicates Z: 7 2.513 1.669 0.273 0.335 0.667 0.333 CB 0.867 Z: 12 11.510 1.552 1.029 0.894 0.909 0.727 CB 0.869 18 residues pruned to eliminate duplicates Z: 6 4.098 1.349 0.424 0.757 1.000 0.600 CB 0.759 6 residues pruned to eliminate duplicates Z: 12 17.443 1.609 0.815 0.882 1.000 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 26 11.579 1.650 0.523 0.562 0.800 0.560 CB 1.085 26 residues pruned to eliminate duplicates Z: 8 3.089 1.463 0.304 0.401 0.571 0.286 CB 1.188 8 residues pruned to eliminate duplicates Z: 21 12.280 1.760 0.478 0.503 0.900 0.600 CB 1.169 21 residues pruned to eliminate duplicates Z: 22 12.299 1.655 0.740 0.557 0.857 0.524 CB 1.029 19 residues pruned to eliminate duplicates Z: 12 12.148 1.697 0.625 0.705 0.909 0.545 CB 1.213 12 residues pruned to eliminate duplicates Z: 15 10.484 1.641 0.525 0.909 1.000 0.929 CB 0.794 15 residues pruned to eliminate duplicates Z: 24 17.156 1.564 0.643 0.939 1.000 0.870 CB 0.967 25 residues pruned to eliminate duplicates Z: 34 15.337 1.644 0.460 0.614 0.848 0.636 CB 1.177 35 residues pruned to eliminate duplicates Z: 12 9.316 1.566 0.616 0.666 0.909 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 7 6.329 1.405 0.247 0.684 1.000 0.667 CA 1.246 7 residues pruned to eliminate duplicates Z: 6 6.538 1.718 0.091 0.613 1.000 0.800 CB 1.401 5 residues pruned to eliminate duplicates Z: 9 5.149 1.605 0.670 0.428 0.875 0.625 CB 0.837 Z: 6 2.512 1.534 -0.195 0.619 1.000 0.400 CB 0.813 Z: 8 7.233 1.589 0.603 0.908 1.000 0.857 CB 0.762 8 residues pruned to eliminate duplicates Z: 15 11.094 1.611 0.432 0.897 1.000 0.714 CB 0.920 15 residues pruned to eliminate duplicates Z: 15 15.579 1.509 0.663 0.912 1.000 1.000 CB 1.175 15 residues pruned to eliminate duplicates Z: 15 12.649 1.438 0.891 0.932 1.000 0.786 CB 0.868 15 residues pruned to eliminate duplicates Z: 10 8.748 1.489 0.485 0.879 1.000 0.778 CB 0.956 10 residues pruned to eliminate duplicates Z: 13 2.946 1.584 0.281 0.192 0.667 0.417 CB 0.908 13 residues pruned to eliminate duplicates Z: 8 7.833 1.632 0.546 0.803 1.000 0.571 CB 0.901 8 residues pruned to eliminate duplicates Z: 6 2.314 1.270 0.811 0.270 0.600 0.600 N 0.974 Z: 14 20.044 1.638 0.799 0.915 0.923 0.923 CA 1.444 12 residues pruned to eliminate duplicates Z: 13 6.437 1.563 0.555 0.393 0.750 0.417 CB 1.142 13 residues pruned to eliminate duplicates Z: 29 16.345 1.744 0.855 0.418 0.893 0.429 CB 1.164 25 residues pruned to eliminate duplicates Z: 8 6.023 1.571 1.047 0.809 0.857 0.714 CB 0.631 8 residues pruned to eliminate duplicates Z: 10 15.818 1.784 0.816 0.866 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 17 11.950 1.669 0.705 0.653 1.000 0.625 CB 0.911 11 residues pruned to eliminate duplicates Z: 6 4.127 1.550 0.378 0.645 0.800 0.800 CB 0.943 6 residues pruned to eliminate duplicates Z: 14 7.676 1.341 0.303 0.873 0.923 0.846 CB 0.961 14 residues pruned to eliminate duplicates Z: 14 22.702 1.650 0.978 0.887 1.000 0.923 CB 1.391 14 residues pruned to eliminate duplicates 6 1.040 1.470 0.837 0.816 0.800 0.400 CB 0.164 ? Z: 17 10.634 1.419 0.531 0.883 1.000 0.688 CB 0.885 17 residues pruned to eliminate duplicates Z: 12 17.432 1.833 0.515 0.882 1.000 0.909 CA 1.369 12 residues pruned to eliminate duplicates Z: 18 4.384 1.425 0.498 0.354 0.765 0.471 CB 0.763 17 residues pruned to eliminate duplicates Z: 7 5.077 1.314 0.748 0.839 1.000 0.833 CB 0.674 6 0.533 1.469 -0.459 0.276 0.600 0.200 CB 0.645 ? Z: 9 4.998 1.310 0.974 0.791 0.875 0.500 CB 0.605 9 residues pruned to eliminate duplicates Z: 10 4.881 1.313 0.425 0.845 1.000 0.889 CB 0.647 10 residues pruned to eliminate duplicates Z: 10 10.725 1.587 0.341 0.874 1.000 0.889 CB 1.223 11 residues pruned to eliminate duplicates Z: 7 5.241 1.394 0.566 0.440 1.000 0.333 CB 1.042 Z: 12 8.082 1.646 0.751 0.631 0.818 0.545 CB 0.913 8 residues pruned to eliminate duplicates Z: 7 4.923 1.513 0.409 0.260 1.000 0.500 CB 1.241 Z: 10 7.948 1.505 0.465 0.893 1.000 1.000 CB 0.862 10 residues pruned to eliminate duplicates Z: 19 16.151 1.708 0.788 0.525 0.889 0.556 CB 1.368 19 residues pruned to eliminate duplicates Z: 6 2.348 1.486 0.407 0.480 0.800 0.400 CB 0.640 Z: 9 10.559 1.638 0.412 0.838 1.000 0.875 CA 1.206 9 residues pruned to eliminate duplicates Z: 15 10.589 1.568 0.424 0.867 1.000 0.857 CB 0.927 15 residues pruned to eliminate duplicates Z: 7 3.071 1.401 0.561 0.326 0.667 0.500 CB 1.042 7 residues pruned to eliminate duplicates Z: 9 4.504 1.266 0.504 0.484 0.875 0.625 CB 0.971 Z: 10 5.459 1.554 0.840 0.369 0.778 0.444 CB 0.942 Z: 6 2.934 1.558 0.585 0.303 0.800 0.800 CB 0.827 6 1.485 1.240 -0.175 0.596 0.800 0.600 CB 0.741 ? Z: 20 14.299 1.779 0.647 0.543 0.895 0.632 CB 1.199 20 residues pruned to eliminate duplicates Z: 10 8.219 1.605 0.788 0.424 1.000 0.556 CB 1.034 12 residues pruned to eliminate duplicates Z: 27 15.588 1.602 0.373 0.900 1.000 0.846 CB 0.993 27 residues pruned to eliminate duplicates Z: 11 8.076 1.620 0.575 0.863 0.900 0.800 CB 0.816 11 residues pruned to eliminate duplicates Z: 10 3.044 1.461 0.286 0.413 0.667 0.444 CB 0.888 10 residues pruned to eliminate duplicates Z: 10 5.592 1.497 0.891 0.727 1.000 0.778 CB 0.537 Z: 12 15.300 1.700 0.681 0.896 1.000 0.909 CB 1.157 12 residues pruned to eliminate duplicates Z: 9 3.910 1.414 0.777 0.456 0.875 0.500 CB 0.658 Z: 8 10.491 1.709 0.502 0.764 1.000 0.857 CB 1.222 8 residues pruned to eliminate duplicates Z: 7 4.304 1.499 0.021 0.490 1.000 0.833 CB 1.159 7 residues pruned to eliminate duplicates Z: 13 14.841 1.536 0.885 0.863 0.917 0.750 CA 1.184 13 residues pruned to eliminate duplicates Z: 7 5.195 1.503 0.554 0.523 0.833 0.500 CB 1.065 7 residues pruned to eliminate duplicates Z: 11 11.462 1.557 0.777 0.744 0.900 0.700 CB 1.170 11 residues pruned to eliminate duplicates Z: 6 4.506 1.214 0.412 0.867 1.000 1.000 CB 0.860 6 residues pruned to eliminate duplicates Z: 11 2.129 1.420 0.537 0.302 0.800 0.300 CB 0.481 11 residues pruned to eliminate duplicates Z: 14 9.850 1.657 0.719 0.546 0.769 0.692 CA 1.192 14 residues pruned to eliminate duplicates Z: 14 10.604 1.702 0.859 0.873 0.923 0.769 CB 0.733 14 residues pruned to eliminate duplicates Z: 10 8.523 1.498 0.464 0.854 1.000 0.778 CB 0.957 10 residues pruned to eliminate duplicates Z: 9 6.406 1.588 0.902 0.856 0.875 0.750 CB 0.632 9 residues pruned to eliminate duplicates Z: 18 5.757 1.485 0.526 0.587 0.824 0.588 CB 0.688 10 residues pruned to eliminate duplicates Z: 6 4.217 1.507 0.478 0.834 1.000 0.800 CB 0.635 Z: 21 17.773 1.666 0.841 0.607 0.950 0.650 CB 1.231 19 residues pruned to eliminate duplicates Z: 12 15.917 1.730 0.605 0.903 0.909 0.818 N 1.355 12 residues pruned to eliminate duplicates Z: 7 4.026 1.294 0.562 0.457 1.000 0.667 CB 0.850 Z: 9 7.016 1.518 0.461 0.910 1.000 1.000 CB 0.793 9 residues pruned to eliminate duplicates Z: 19 13.639 1.661 0.542 0.901 0.944 0.889 CB 0.949 19 residues pruned to eliminate duplicates Z: 6 4.893 1.547 0.568 0.568 1.000 0.400 CB 0.844 Z: 18 14.389 1.674 0.618 0.644 0.941 0.588 CB 1.197 18 residues pruned to eliminate duplicates Z: 16 13.053 1.634 0.474 0.843 1.000 0.800 CB 1.042 16 residues pruned to eliminate duplicates Z: 25 14.883 1.721 0.517 0.590 0.875 0.750 CB 1.220 25 residues pruned to eliminate duplicates Z: 12 12.993 1.550 0.473 0.863 1.000 0.727 CB 1.259 12 residues pruned to eliminate duplicates Z: 14 8.949 1.640 0.309 0.914 1.000 0.923 CB 0.817 14 residues pruned to eliminate duplicates Z: 11 9.292 1.492 0.384 0.750 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 13 23.152 1.846 0.704 0.910 1.000 0.917 CB 1.507 13 residues pruned to eliminate duplicates Z: 19 12.155 1.767 0.547 0.616 0.833 0.611 CB 1.127 19 residues pruned to eliminate duplicates 6 1.682 1.304 0.414 0.383 1.000 0.600 CB 0.463 ? Z: 13 8.395 1.353 0.719 0.914 0.917 0.833 CB 0.804 13 residues pruned to eliminate duplicates Z: 8 3.758 1.447 0.428 0.315 0.857 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 9 2.495 1.393 0.323 0.231 0.750 0.500 CB 0.873 Z: 7 2.699 1.263 0.244 0.680 0.667 0.667 CB 0.891 Z: 6 4.313 1.386 0.237 0.707 0.800 0.600 CB 1.166 Z: 15 13.395 1.699 0.567 0.609 1.000 0.786 CB 1.213 15 residues pruned to eliminate duplicates Z: 17 9.091 1.417 0.396 0.911 1.000 0.688 CB 0.814 17 residues pruned to eliminate duplicates Z: 8 7.336 1.442 1.177 0.838 1.000 0.571 CB 0.660 Z: 6 3.665 1.561 0.443 0.853 1.000 1.000 CB 0.538 Z: 18 8.980 1.646 0.304 0.564 0.882 0.588 CB 1.081 18 residues pruned to eliminate duplicates Z: 9 5.428 1.564 0.699 0.614 0.875 0.625 CB 0.741 14 residues pruned to eliminate duplicates Z: 12 3.642 1.416 0.453 0.344 0.727 0.455 CB 0.870 Z: 13 4.838 1.468 0.483 0.534 0.750 0.583 CB 0.827 13 residues pruned to eliminate duplicates Z: 9 2.840 1.234 0.281 0.311 0.875 0.625 CB 0.895 Z: 11 12.291 1.605 0.380 0.924 1.000 0.900 CB 1.232 11 residues pruned to eliminate duplicates Z: 9 4.756 1.506 0.637 0.816 1.000 0.875 CB 0.518 Z: 11 2.200 1.246 0.265 0.297 0.700 0.500 CB 0.791 Z: 24 10.398 1.633 0.352 0.468 0.870 0.522 CB 1.167 24 residues pruned to eliminate duplicates Z: 8 4.054 1.345 0.542 0.617 0.857 0.429 CB 0.772 Z: 11 6.839 1.546 0.856 0.380 1.000 0.600 CB 0.856 11 residues pruned to eliminate duplicates Z: 16 11.410 1.593 0.617 0.546 0.933 0.467 CB 1.171 16 residues pruned to eliminate duplicates Z: 12 3.873 1.366 1.025 0.213 0.636 0.273 CB 0.931 1241 residues left after pruning, divided into chains as follows: A: 26 B: 13 C: 6 D: 42 E: 7 F: 11 G: 26 H: 15 I: 25 J: 40 K: 22 L: 21 M: 26 N: 14 O: 8 P: 7 Q: 16 R: 6 S: 9 T: 6 U: 11 V: 10 W: 14 X: 8 Y: 14 Z: 8 Z: 42 Z: 13 Z: 51 Z: 12 Z: 66 Z: 17 Z: 8 Z: 14 Z: 11 Z: 43 Z: 110 Z: 27 Z: 26 Z: 24 Z: 29 Z: 23 Z: 8 Z: 18 Z: 12 Z: 29 Z: 10 Z: 22 Z: 6 Z: 17 Z: 10 Z: 80 Z: 30 Z: 27 Z: 21 Z: 16 Z: 8 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.35 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.377, Connect. = 0.664 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.688 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.718 for dens.mod. cycle 3 = 0.300, Contrast = 0.535, Connect. = 0.721 for dens.mod. cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.725 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.727 for dens.mod. cycle 6 = 0.300, Contrast = 0.560, Connect. = 0.729 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.566, Connect. = 0.732 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.733 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4530 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1172 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 19.393 1.768 0.614 0.815 1.000 0.667 N 1.491 B: 16 9.386 1.738 0.562 0.426 0.800 0.667 CB 1.206 C: 14 19.408 1.775 0.470 0.876 1.000 0.846 CB 1.499 D: 12 19.024 1.916 0.613 0.871 0.909 0.636 N 1.489 12 residues pruned to eliminate duplicates E: 14 18.638 1.753 0.938 0.848 0.846 0.769 CB 1.334 F: 13 21.696 1.786 0.726 0.849 1.000 0.667 CB 1.506 G: 13 19.389 1.869 0.861 0.898 1.000 0.833 CB 1.151 13 residues pruned to eliminate duplicates H: 15 23.273 1.860 0.667 0.836 1.000 0.786 CB 1.502 I: 12 21.624 1.936 0.791 0.876 0.909 0.636 CB 1.504 J: 12 26.952 1.980 0.949 0.903 1.000 1.000 CB 1.501 13 residues pruned to eliminate duplicates K: 24 11.789 1.782 0.526 0.549 0.826 0.478 CB 1.043 L: 14 18.453 1.785 0.767 0.792 0.923 0.615 CB 1.360 M: 41 32.061 1.778 0.826 0.876 0.925 0.575 CB 1.227 15 residues pruned to eliminate duplicates N: 13 20.506 1.863 0.596 0.907 1.000 0.750 CB 1.415 14 residues pruned to eliminate duplicates O: 13 20.604 1.831 0.559 0.886 1.000 0.750 CB 1.504 P: 14 20.958 1.867 0.567 0.888 1.000 0.846 CB 1.431 14 residues pruned to eliminate duplicates Q: 14 20.135 1.784 0.567 0.912 1.000 0.769 N 1.415 14 residues pruned to eliminate duplicates R: 13 24.999 1.968 0.728 0.853 1.000 0.833 CA 1.569 13 residues pruned to eliminate duplicates S: 13 7.666 1.735 0.175 0.366 0.917 0.417 CB 1.368 T: 10 14.111 1.852 0.695 0.852 0.778 0.667 CB 1.425 10 residues pruned to eliminate duplicates U: 7 15.695 1.927 0.988 0.534 1.000 0.667 CB 1.618 V: 12 16.670 1.841 0.431 0.882 0.909 0.909 CB 1.518 12 residues pruned to eliminate duplicates W: 11 23.492 1.966 0.780 0.870 1.000 0.800 CB 1.549 11 residues pruned to eliminate duplicates X: 10 13.621 1.933 0.240 0.808 1.000 0.778 CB 1.448 9 residues pruned to eliminate duplicates Y: 10 16.396 1.826 0.825 0.808 0.889 0.778 CA 1.410 Z: 13 19.993 1.933 0.487 0.881 1.000 0.833 CB 1.453 12 residues pruned to eliminate duplicates Z: 13 25.046 1.948 0.851 0.869 0.917 0.667 CA 1.598 13 residues pruned to eliminate duplicates Z: 14 16.938 1.758 0.714 0.823 0.846 0.692 CB 1.393 14 residues pruned to eliminate duplicates Z: 15 17.493 1.709 0.632 0.832 1.000 0.786 CB 1.258 15 residues pruned to eliminate duplicates Z: 12 13.446 1.712 0.774 0.919 1.000 0.909 CB 0.941 12 residues pruned to eliminate duplicates Z: 14 21.996 1.862 0.693 0.883 1.000 0.846 CB 1.399 14 residues pruned to eliminate duplicates Z: 12 18.129 1.822 0.633 0.918 0.909 0.909 CB 1.425 12 residues pruned to eliminate duplicates Z: 11 16.732 1.567 1.137 0.796 0.900 0.500 CA 1.355 Z: 11 13.990 1.718 0.403 0.811 1.000 0.700 CB 1.400 Z: 13 16.590 1.884 0.417 0.890 1.000 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 14 12.770 1.620 0.605 0.930 1.000 0.615 CB 0.953 14 residues pruned to eliminate duplicates Z: 14 22.522 1.893 0.758 0.844 1.000 0.846 CB 1.397 14 residues pruned to eliminate duplicates Z: 22 28.516 1.796 0.884 0.943 1.000 0.810 CB 1.275 22 residues pruned to eliminate duplicates Z: 12 14.106 1.947 0.678 0.837 0.727 0.636 CB 1.339 12 residues pruned to eliminate duplicates Z: 11 13.636 1.728 0.718 0.814 1.000 0.800 CA 1.105 11 residues pruned to eliminate duplicates Z: 15 13.588 1.826 0.206 0.918 1.000 0.857 CB 1.162 Z: 19 16.071 1.880 0.604 0.560 0.944 0.667 CB 1.255 Z: 24 14.788 1.671 0.401 0.892 1.000 0.826 CB 0.946 Z: 11 12.286 1.871 0.339 0.783 0.900 0.700 CB 1.343 11 residues pruned to eliminate duplicates Z: 12 13.882 1.705 0.676 0.888 0.909 0.818 CB 1.161 Z: 13 6.274 1.692 0.164 0.469 0.833 0.583 CB 1.140 Z: 11 17.302 1.902 0.306 0.902 1.000 0.900 O 1.571 11 residues pruned to eliminate duplicates Z: 7 5.922 1.672 0.607 0.877 1.000 1.000 CB 0.653 Z: 26 22.863 1.741 0.753 0.883 1.000 0.720 CB 1.083 26 residues pruned to eliminate duplicates Z: 13 14.199 1.638 0.479 0.879 1.000 0.917 CB 1.227 Z: 7 3.113 1.625 0.244 0.494 1.000 0.667 CB 0.633 Z: 12 23.654 1.924 0.696 0.898 1.000 1.000 CB 1.564 12 residues pruned to eliminate duplicates Z: 8 10.701 1.872 0.690 0.577 1.000 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 10 20.186 1.873 0.671 0.848 1.000 0.889 CB 1.594 11 residues pruned to eliminate duplicates Z: 13 14.247 1.922 0.098 0.929 1.000 0.917 CB 1.365 13 residues pruned to eliminate duplicates Z: 15 14.593 1.784 0.378 0.922 0.929 0.786 CB 1.201 Z: 26 20.422 1.718 0.533 0.887 0.960 0.920 CB 1.165 26 residues pruned to eliminate duplicates Z: 23 17.488 1.848 0.458 0.712 0.909 0.682 CB 1.256 Z: 12 17.666 1.678 0.760 0.836 1.000 0.727 N 1.350 Z: 10 10.609 1.768 0.300 0.797 0.889 0.778 N 1.334 Z: 14 18.799 1.764 0.581 0.914 1.000 1.000 CB 1.322 14 residues pruned to eliminate duplicates Z: 12 21.296 1.817 0.912 0.871 0.909 0.818 N 1.483 12 residues pruned to eliminate duplicates Z: 12 14.109 1.678 0.587 0.875 1.000 0.909 CB 1.161 12 residues pruned to eliminate duplicates Z: 15 13.446 1.696 0.432 0.803 0.929 0.714 CB 1.223 Z: 25 14.648 1.656 0.782 0.637 0.833 0.417 CB 1.069 15 residues pruned to eliminate duplicates Z: 15 16.694 1.824 0.597 0.940 1.000 0.929 CB 1.063 14 residues pruned to eliminate duplicates Z: 11 17.833 1.730 1.055 0.852 0.900 0.700 CB 1.303 10 residues pruned to eliminate duplicates Z: 13 15.710 1.736 0.495 0.904 1.000 0.917 CA 1.245 13 residues pruned to eliminate duplicates Z: 13 11.857 1.827 0.310 0.823 1.000 0.833 CB 1.080 13 residues pruned to eliminate duplicates Z: 17 11.082 1.726 0.381 0.905 1.000 1.000 CB 0.827 17 residues pruned to eliminate duplicates Z: 13 10.805 1.804 0.357 0.852 0.917 0.500 CB 1.028 Z: 16 13.437 1.650 0.477 0.871 0.933 0.867 CB 1.112 10 residues pruned to eliminate duplicates Z: 11 11.240 1.722 0.430 0.787 0.900 0.600 CB 1.246 20 residues pruned to eliminate duplicates Z: 13 13.684 1.812 0.402 0.910 0.917 0.917 CB 1.204 13 residues pruned to eliminate duplicates Z: 27 14.439 1.718 0.600 0.470 0.923 0.577 CB 1.151 19 residues pruned to eliminate duplicates Z: 6 4.142 1.525 0.691 0.440 0.800 0.600 CB 0.956 Z: 12 17.986 1.822 0.714 0.847 0.909 0.818 CB 1.417 10 residues pruned to eliminate duplicates Z: 10 17.502 1.933 0.495 0.876 1.000 1.000 CB 1.467 11 residues pruned to eliminate duplicates Z: 15 18.492 1.691 0.653 0.858 0.929 0.786 CB 1.402 15 residues pruned to eliminate duplicates Z: 14 23.638 1.882 0.797 0.872 1.000 0.846 CB 1.413 14 residues pruned to eliminate duplicates Z: 27 19.882 1.892 0.568 0.594 0.962 0.769 CB 1.249 15 residues pruned to eliminate duplicates Z: 23 12.897 1.778 0.642 0.426 0.818 0.409 CB 1.244 27 residues pruned to eliminate duplicates Z: 13 20.064 1.762 0.691 0.862 1.000 1.000 CA 1.427 13 residues pruned to eliminate duplicates Z: 9 11.977 1.737 0.496 0.869 1.000 0.750 N 1.191 Z: 12 17.785 1.681 0.891 0.884 1.000 0.455 CB 1.219 11 residues pruned to eliminate duplicates Z: 14 21.796 1.849 0.690 0.872 1.000 1.000 CB 1.409 17 residues pruned to eliminate duplicates Z: 14 18.244 1.725 0.649 0.864 1.000 0.769 N 1.304 14 residues pruned to eliminate duplicates Z: 14 15.303 1.820 0.320 0.893 1.000 1.000 CB 1.268 14 residues pruned to eliminate duplicates Z: 9 13.354 1.569 0.855 0.856 0.875 0.750 N 1.368 9 residues pruned to eliminate duplicates Z: 9 9.060 1.913 -0.023 0.862 1.000 1.000 CB 1.259 9 residues pruned to eliminate duplicates Z: 26 12.948 1.682 0.519 0.652 0.880 0.600 CB 1.000 15 residues pruned to eliminate duplicates Z: 12 21.358 1.978 0.549 0.898 1.000 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 25 17.229 1.673 0.661 0.872 0.917 0.417 CB 1.006 25 residues pruned to eliminate duplicates Z: 6 2.820 1.856 0.059 0.309 0.600 0.400 N 1.322 Z: 6 4.027 1.612 0.884 0.416 0.800 0.600 CB 0.809 Z: 12 15.180 1.733 0.607 0.913 0.909 0.909 CB 1.280 12 residues pruned to eliminate duplicates Z: 11 24.072 1.850 0.810 0.878 1.000 0.700 N 1.651 22 residues pruned to eliminate duplicates Z: 15 8.727 1.636 0.337 0.828 0.929 0.786 CB 0.865 15 residues pruned to eliminate duplicates Z: 8 9.694 1.687 0.283 0.884 1.000 1.000 CB 1.223 Z: 14 21.736 1.752 0.842 0.852 1.000 0.846 N 1.381 14 residues pruned to eliminate duplicates Z: 12 11.082 1.752 0.828 0.643 1.000 0.636 CB 0.912 Z: 11 7.039 1.748 0.372 0.430 0.900 0.400 CB 1.109 8 residues pruned to eliminate duplicates Z: 7 2.765 1.566 0.478 0.593 0.667 0.500 CB 0.670 Z: 8 6.547 1.634 0.664 0.487 1.000 0.571 CB 0.922 Z: 11 9.861 1.799 0.556 0.457 1.000 0.600 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 3.085 1.697 0.663 0.415 0.400 0.400 N 1.337 Z: 16 18.898 1.784 0.406 0.878 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 7 3.055 1.478 0.108 0.386 0.833 0.500 N 1.031 Z: 16 20.120 1.816 0.746 0.905 1.000 0.800 CB 1.166 16 residues pruned to eliminate duplicates Z: 7 8.255 1.764 0.662 0.601 0.833 0.667 CB 1.252 Z: 12 18.023 1.728 0.667 0.891 1.000 0.818 N 1.356 Z: 28 12.605 1.684 0.677 0.409 0.889 0.296 CB 1.063 12 residues pruned to eliminate duplicates Z: 20 6.208 1.694 0.218 0.260 0.895 0.474 CB 1.015 5 residues pruned to eliminate duplicates Z: 22 20.545 1.745 0.694 0.921 1.000 0.810 CB 1.067 Z: 12 22.807 1.922 0.654 0.919 1.000 1.000 CB 1.524 12 residues pruned to eliminate duplicates Z: 13 16.193 1.807 0.633 0.932 1.000 0.917 CB 1.107 13 residues pruned to eliminate duplicates Z: 14 13.310 1.493 0.497 0.861 0.923 0.769 CB 1.315 13 residues pruned to eliminate duplicates Z: 19 18.617 1.707 0.681 0.878 1.000 0.833 CB 1.110 Z: 11 16.209 1.738 0.571 0.871 1.000 0.800 CA 1.369 13 residues pruned to eliminate duplicates Z: 33 18.151 1.723 0.464 0.655 0.938 0.656 CB 1.176 23 residues pruned to eliminate duplicates Z: 11 9.326 1.580 0.452 0.830 0.900 0.600 N 1.073 10 residues pruned to eliminate duplicates Z: 12 16.287 1.556 0.782 0.882 1.000 0.727 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 8.975 1.825 0.865 0.442 0.917 0.333 CB 0.882 13 residues pruned to eliminate duplicates Z: 11 9.495 1.697 0.003 0.844 1.000 0.900 CB 1.313 Z: 15 18.264 1.744 0.534 0.912 1.000 0.857 CB 1.292 15 residues pruned to eliminate duplicates Z: 13 24.192 1.789 0.907 0.919 1.000 0.750 N 1.443 14 residues pruned to eliminate duplicates Z: 9 5.450 1.280 0.728 0.755 1.000 0.750 CB 0.695 Z: 12 12.263 1.707 0.383 0.841 0.909 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 15 21.284 1.737 0.758 0.863 1.000 0.857 CB 1.367 15 residues pruned to eliminate duplicates Z: 11 24.602 1.975 0.899 0.921 1.000 0.900 CB 1.460 11 residues pruned to eliminate duplicates Z: 13 17.504 1.667 0.722 0.897 1.000 0.667 N 1.260 13 residues pruned to eliminate duplicates Z: 17 16.340 1.744 0.544 0.856 0.875 0.750 CB 1.278 17 residues pruned to eliminate duplicates Z: 17 16.652 1.759 0.562 0.747 0.938 0.688 CB 1.295 17 residues pruned to eliminate duplicates Z: 13 12.762 1.643 0.348 0.849 0.917 0.833 N 1.345 Z: 15 13.713 1.636 0.370 0.837 0.929 0.714 CA 1.317 14 residues pruned to eliminate duplicates Z: 10 9.158 1.779 0.584 0.627 0.889 0.556 CB 1.081 Z: 16 17.450 1.813 0.630 0.924 0.933 0.933 CB 1.147 16 residues pruned to eliminate duplicates Z: 7 10.388 1.833 0.558 0.818 0.833 0.667 CB 1.352 Z: 7 2.606 1.527 0.697 0.248 0.667 0.333 CB 0.824 Z: 8 6.514 1.580 0.609 0.645 0.857 0.714 CA 0.987 Z: 10 6.021 1.592 0.456 0.697 0.889 0.556 CB 0.814 Z: 7 6.712 1.831 0.125 0.781 0.833 0.833 CB 1.247 7 residues pruned to eliminate duplicates Z: 12 24.783 1.923 0.760 0.889 1.000 0.818 CB 1.589 12 residues pruned to eliminate duplicates Z: 13 16.178 1.740 0.397 0.919 1.000 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 15 17.172 1.853 0.706 0.923 1.000 0.929 CB 1.020 15 residues pruned to eliminate duplicates Z: 10 10.219 1.634 0.355 0.821 1.000 0.778 CB 1.165 8 residues pruned to eliminate duplicates Z: 12 17.512 1.773 0.806 0.810 0.909 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 13 13.860 1.800 0.312 0.920 1.000 0.833 CB 1.194 13 residues pruned to eliminate duplicates Z: 18 17.126 1.692 0.722 0.905 1.000 0.882 CB 1.015 18 residues pruned to eliminate duplicates Z: 12 15.217 1.689 0.657 0.892 1.000 0.818 CB 1.178 Z: 11 13.018 1.763 0.307 0.884 1.000 0.900 CB 1.292 11 residues pruned to eliminate duplicates Z: 13 13.061 1.602 0.516 0.870 1.000 0.750 CB 1.134 13 residues pruned to eliminate duplicates Z: 12 13.472 1.689 0.385 0.867 1.000 0.727 CB 1.270 12 residues pruned to eliminate duplicates Z: 13 16.419 1.652 0.540 0.859 1.000 0.750 CB 1.371 12 residues pruned to eliminate duplicates Z: 14 12.565 1.877 0.393 0.851 0.923 0.769 CB 1.069 14 residues pruned to eliminate duplicates Z: 8 7.103 1.612 0.506 0.558 0.857 0.429 O 1.219 5 residues pruned to eliminate duplicates Z: 10 18.150 1.844 0.475 0.861 1.000 0.778 N 1.635 10 residues pruned to eliminate duplicates Z: 25 12.237 1.797 0.367 0.549 0.875 0.667 CB 1.108 18 residues pruned to eliminate duplicates Z: 12 15.642 1.715 0.508 0.871 1.000 1.000 CB 1.330 12 residues pruned to eliminate duplicates Z: 11 10.877 1.862 0.929 0.705 1.000 0.600 CB 0.795 11 residues pruned to eliminate duplicates Z: 23 15.461 1.792 0.652 0.568 0.864 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 13 3.150 1.539 0.279 0.251 0.583 0.417 CB 1.055 Z: 12 18.869 1.845 0.726 0.866 1.000 0.818 CB 1.307 21 residues pruned to eliminate duplicates Z: 10 14.711 1.730 0.451 0.855 1.000 0.889 CB 1.441 10 residues pruned to eliminate duplicates Z: 10 10.392 1.836 0.089 0.911 1.000 0.889 CB 1.229 Z: 10 12.363 1.881 0.236 0.886 1.000 0.889 CB 1.279 10 residues pruned to eliminate duplicates Z: 16 19.607 1.808 0.751 0.887 0.933 0.533 CB 1.235 16 residues pruned to eliminate duplicates Z: 14 16.414 1.704 0.651 0.898 1.000 0.846 CB 1.157 16 residues pruned to eliminate duplicates Z: 22 9.419 1.681 0.636 0.373 0.857 0.429 CB 0.999 22 residues pruned to eliminate duplicates Z: 15 14.652 1.794 0.603 0.864 1.000 0.643 CB 0.998 15 residues pruned to eliminate duplicates Z: 22 23.760 1.976 0.785 0.631 0.905 0.619 CB 1.436 21 residues pruned to eliminate duplicates Z: 7 2.613 1.361 0.260 0.566 0.833 0.333 N 0.700 Z: 13 13.608 1.722 0.584 0.896 0.917 0.750 CB 1.126 13 residues pruned to eliminate duplicates Z: 9 4.053 1.611 0.372 0.508 0.750 0.625 CB 0.857 Z: 24 12.706 1.813 0.647 0.484 0.783 0.478 CB 1.153 17 residues pruned to eliminate duplicates Z: 12 18.083 1.839 0.613 0.878 1.000 0.727 N 1.334 11 residues pruned to eliminate duplicates Z: 11 6.509 1.643 0.581 0.508 0.900 0.300 CB 0.873 Z: 12 11.934 1.596 0.294 0.825 1.000 0.727 CB 1.314 11 residues pruned to eliminate duplicates Z: 13 15.070 1.758 0.572 0.786 0.917 0.583 CA 1.335 13 residues pruned to eliminate duplicates Z: 14 14.571 1.531 0.544 0.805 1.000 0.538 O 1.310 14 residues pruned to eliminate duplicates Z: 10 13.258 1.674 0.548 0.886 1.000 0.778 CB 1.230 Z: 13 17.213 1.761 0.848 0.901 0.917 0.667 CB 1.188 13 residues pruned to eliminate duplicates Z: 7 5.538 1.555 0.546 0.539 0.833 0.500 N 1.086 Z: 22 8.294 1.574 0.629 0.334 0.810 0.333 CB 1.045 25 residues pruned to eliminate duplicates Z: 10 22.124 1.947 1.030 0.902 1.000 0.778 CB 1.331 10 residues pruned to eliminate duplicates Z: 23 15.583 1.587 0.432 0.906 0.955 0.909 CB 1.088 Z: 13 7.122 1.821 0.704 0.874 0.917 0.667 CB 0.526 Z: 11 17.292 1.752 0.525 0.886 1.000 1.000 N 1.477 13 residues pruned to eliminate duplicates Z: 14 3.764 1.740 -0.082 0.186 0.846 0.615 CB 1.127 6 residues pruned to eliminate duplicates Z: 12 12.479 1.699 0.453 0.903 0.909 0.909 CB 1.195 12 residues pruned to eliminate duplicates Z: 9 4.202 1.664 0.293 0.344 0.750 0.625 CB 1.090 Z: 16 14.812 1.670 0.497 0.909 1.000 1.000 CB 1.086 15 residues pruned to eliminate duplicates Z: 8 6.747 1.529 0.263 0.819 1.000 0.571 CB 1.001 Z: 6 2.027 1.639 0.463 0.299 0.600 0.400 CB 0.789 Z: 27 21.088 1.725 0.674 0.831 0.923 0.731 CB 1.166 27 residues pruned to eliminate duplicates Z: 15 10.971 1.477 0.538 0.712 0.929 0.643 CB 1.146 11 residues pruned to eliminate duplicates Z: 29 11.098 1.760 0.296 0.463 0.857 0.607 CB 1.114 51 residues pruned to eliminate duplicates Z: 9 11.188 1.628 0.389 0.916 1.000 1.000 O 1.235 8 residues pruned to eliminate duplicates Z: 7 8.522 1.704 0.419 0.873 1.000 0.667 CB 1.048 Z: 12 11.015 1.716 0.461 0.893 0.909 0.909 CB 1.046 Z: 23 15.137 1.592 0.379 0.907 0.955 0.909 CB 1.095 23 residues pruned to eliminate duplicates Z: 14 15.051 1.766 0.336 0.894 1.000 0.846 CB 1.269 14 residues pruned to eliminate duplicates Z: 13 22.603 1.814 0.737 0.840 1.000 0.500 CB 1.545 13 residues pruned to eliminate duplicates Z: 10 12.395 1.792 0.413 0.895 1.000 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 16 21.115 1.943 0.835 0.749 0.867 0.667 CB 1.413 16 residues pruned to eliminate duplicates Z: 12 5.433 1.729 0.335 0.223 0.818 0.455 CB 1.200 13 residues pruned to eliminate duplicates Z: 7 3.924 1.636 0.404 0.841 0.833 0.833 CB 0.624 8 residues pruned to eliminate duplicates Z: 17 20.792 1.883 0.810 0.629 0.938 0.562 CB 1.442 21 residues pruned to eliminate duplicates Z: 6 4.460 1.832 0.195 0.869 1.000 1.000 CB 0.665 Z: 9 14.164 1.652 0.977 0.800 0.875 0.875 CB 1.347 7 residues pruned to eliminate duplicates Z: 12 9.627 1.707 0.770 0.507 0.818 0.273 CB 1.167 8 residues pruned to eliminate duplicates Z: 10 7.952 1.750 0.769 0.822 1.000 0.778 CB 0.648 10 residues pruned to eliminate duplicates Z: 6 6.179 1.750 0.174 0.770 1.000 0.800 CB 1.059 6 residues pruned to eliminate duplicates Z: 14 11.871 1.695 0.621 0.862 0.846 0.692 CB 1.040 8 residues pruned to eliminate duplicates Z: 20 18.557 1.810 0.896 0.603 0.947 0.526 CB 1.187 14 residues pruned to eliminate duplicates Z: 11 14.530 1.811 0.699 0.790 0.900 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 6 3.255 1.519 0.008 0.462 0.800 0.600 CB 1.235 Z: 6 3.733 1.493 0.455 0.349 0.800 0.400 CA 1.132 Z: 9 4.652 1.611 0.253 0.440 0.875 0.750 CB 0.990 3 residues pruned to eliminate duplicates Z: 11 15.905 1.744 0.772 0.884 0.900 0.900 CB 1.307 7 residues pruned to eliminate duplicates Z: 23 14.230 1.701 0.688 0.620 0.773 0.545 CB 1.221 23 residues pruned to eliminate duplicates Z: 14 7.027 1.791 0.617 0.157 0.846 0.538 CB 1.211 14 residues pruned to eliminate duplicates Z: 13 7.714 1.645 0.200 0.443 0.917 0.667 CB 1.305 14 residues pruned to eliminate duplicates Z: 8 8.624 1.796 0.457 0.889 1.000 1.000 CB 0.897 8 residues pruned to eliminate duplicates Z: 10 11.492 1.731 0.485 0.768 0.889 0.778 CB 1.322 10 residues pruned to eliminate duplicates Z: 13 8.665 1.532 0.635 0.525 0.917 0.333 CB 1.063 13 residues pruned to eliminate duplicates Z: 11 13.559 1.831 0.305 0.853 1.000 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 25 11.840 1.587 0.406 0.496 0.875 0.625 CB 1.243 Z: 11 2.347 1.590 -0.005 0.291 0.700 0.300 CB 0.847 11 residues pruned to eliminate duplicates Z: 11 6.457 1.670 0.426 0.306 0.900 0.300 CB 1.181 Z: 14 11.013 1.677 0.433 0.901 1.000 0.923 CB 0.907 Z: 26 23.292 1.742 0.678 0.919 1.000 0.640 CB 1.123 26 residues pruned to eliminate duplicates Z: 7 3.632 1.610 0.350 0.836 1.000 1.000 CB 0.511 7 residues pruned to eliminate duplicates Z: 10 11.547 1.583 0.664 0.864 0.889 0.778 CB 1.205 7 residues pruned to eliminate duplicates Z: 13 18.543 1.737 1.081 0.747 0.917 0.417 CB 1.295 13 residues pruned to eliminate duplicates Z: 10 9.819 1.933 0.576 0.605 0.889 0.667 CB 1.094 14 residues pruned to eliminate duplicates Z: 7 4.762 1.486 0.398 0.645 0.833 0.667 CB 0.982 7 residues pruned to eliminate duplicates Z: 6 2.968 1.542 0.349 0.316 0.800 0.600 CB 0.977 Z: 15 17.880 1.794 0.796 0.928 1.000 0.929 CB 1.039 15 residues pruned to eliminate duplicates Z: 14 10.338 1.630 0.255 0.641 1.000 0.615 CB 1.229 14 residues pruned to eliminate duplicates Z: 7 12.433 1.771 0.592 0.905 1.000 1.000 CB 1.281 8 residues pruned to eliminate duplicates Z: 11 20.966 1.928 0.674 0.865 1.000 0.900 CB 1.505 11 residues pruned to eliminate duplicates Z: 12 22.126 1.838 0.851 0.913 1.000 0.909 N 1.388 12 residues pruned to eliminate duplicates Z: 20 15.639 1.602 0.543 0.813 0.947 0.842 CB 1.167 20 residues pruned to eliminate duplicates Z: 34 13.865 1.753 0.538 0.387 0.909 0.636 CB 1.110 34 residues pruned to eliminate duplicates Z: 18 9.220 1.636 0.438 0.528 0.765 0.647 CB 1.209 18 residues pruned to eliminate duplicates Z: 6 5.214 1.745 0.649 0.559 0.800 0.800 CB 0.957 Z: 27 13.064 1.746 0.560 0.597 0.846 0.577 CB 1.013 24 residues pruned to eliminate duplicates Z: 15 21.280 1.880 0.675 0.907 1.000 0.929 CB 1.283 16 residues pruned to eliminate duplicates Z: 16 16.559 1.625 0.596 0.846 1.000 0.733 CB 1.225 16 residues pruned to eliminate duplicates Z: 7 3.378 1.591 0.522 0.409 0.833 0.667 CB 0.751 Z: 14 25.342 1.851 0.785 0.930 1.000 0.769 N 1.487 14 residues pruned to eliminate duplicates Z: 6 4.437 1.506 0.842 0.526 0.600 0.600 CB 1.163 6 residues pruned to eliminate duplicates Z: 13 3.197 1.560 0.698 0.249 0.750 0.333 CB 0.620 4 residues pruned to eliminate duplicates Z: 12 8.743 1.616 0.359 0.623 1.000 0.727 CB 1.069 12 residues pruned to eliminate duplicates Z: 14 10.400 1.763 -0.005 0.920 1.000 0.846 CB 1.158 14 residues pruned to eliminate duplicates Z: 46 22.437 1.846 0.734 0.478 0.889 0.489 CB 1.202 37 residues pruned to eliminate duplicates Z: 13 15.454 1.711 0.507 0.880 1.000 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 12 15.929 1.640 0.600 0.816 1.000 0.727 CB 1.391 9 residues pruned to eliminate duplicates Z: 15 20.574 1.828 0.676 0.872 1.000 0.857 CB 1.308 15 residues pruned to eliminate duplicates Z: 13 19.327 1.726 0.817 0.871 0.917 0.833 CB 1.415 13 residues pruned to eliminate duplicates Z: 12 13.992 1.715 0.576 0.822 1.000 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 9 10.168 1.531 0.553 0.872 0.875 0.875 N 1.259 9 residues pruned to eliminate duplicates Z: 8 4.022 1.378 0.403 0.523 0.857 0.571 CB 0.897 7 residues pruned to eliminate duplicates Z: 11 12.397 1.706 0.460 0.873 1.000 0.800 CB 1.146 10 residues pruned to eliminate duplicates Z: 10 9.295 1.757 0.464 0.770 0.889 0.667 CB 1.067 10 residues pruned to eliminate duplicates Z: 8 4.364 1.555 0.614 0.369 0.714 0.571 CB 1.059 Z: 18 13.429 1.539 0.443 0.734 1.000 0.706 CB 1.188 18 residues pruned to eliminate duplicates Z: 16 11.914 1.567 0.480 0.781 0.867 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 7 2.541 1.311 0.750 0.339 0.667 0.333 CB 0.808 Z: 10 4.246 1.622 0.308 0.340 0.778 0.556 CB 1.021 Z: 12 18.981 1.849 0.485 0.825 1.000 0.909 CB 1.573 12 residues pruned to eliminate duplicates Z: 12 21.308 1.877 0.689 0.872 1.000 0.727 CB 1.477 12 residues pruned to eliminate duplicates Z: 12 21.989 1.799 0.742 0.902 1.000 0.727 CB 1.509 12 residues pruned to eliminate duplicates Z: 8 7.817 1.693 0.523 0.891 1.000 1.000 CB 0.824 8 residues pruned to eliminate duplicates Z: 15 7.047 1.610 0.485 0.411 0.857 0.571 CB 1.008 15 residues pruned to eliminate duplicates Z: 14 11.669 1.755 0.085 0.942 1.000 1.000 CB 1.179 14 residues pruned to eliminate duplicates Z: 6 5.058 1.252 0.625 0.784 1.000 0.600 CA 0.866 Z: 9 4.125 1.393 0.679 0.377 0.625 0.625 O 1.138 Z: 13 13.469 1.566 0.481 0.835 1.000 0.667 N 1.255 Z: 12 14.656 1.567 0.690 0.875 0.909 0.636 O 1.334 16 residues pruned to eliminate duplicates Z: 12 13.723 1.753 0.440 0.900 0.909 0.818 CB 1.287 12 residues pruned to eliminate duplicates Z: 23 12.002 1.654 0.567 0.560 0.818 0.500 CB 1.138 23 residues pruned to eliminate duplicates Z: 14 4.903 1.672 0.093 0.536 0.923 0.385 CB 0.778 14 residues pruned to eliminate duplicates Z: 8 2.944 1.351 0.296 0.286 0.857 0.571 CB 0.944 Z: 27 17.863 1.788 0.468 0.721 0.885 0.731 CB 1.235 27 residues pruned to eliminate duplicates Z: 10 7.715 1.651 0.417 0.585 0.778 0.667 CB 1.303 9 residues pruned to eliminate duplicates Z: 11 5.112 1.557 0.150 0.600 1.000 0.900 CB 0.820 11 residues pruned to eliminate duplicates Z: 23 15.712 1.677 0.504 0.921 1.000 0.864 CB 0.935 23 residues pruned to eliminate duplicates Z: 6 2.816 1.607 0.538 0.548 0.600 0.400 CB 0.810 Z: 27 18.463 1.813 0.443 0.729 0.923 0.846 CB 1.220 27 residues pruned to eliminate duplicates Z: 10 14.865 1.771 0.417 0.861 1.000 1.000 CB 1.450 14 residues pruned to eliminate duplicates Z: 9 10.356 1.699 0.379 0.903 1.000 0.875 N 1.114 9 residues pruned to eliminate duplicates Z: 22 15.858 1.701 0.678 0.906 0.952 0.810 CB 0.906 22 residues pruned to eliminate duplicates Z: 20 18.251 1.862 0.585 0.621 0.947 0.579 CB 1.335 20 residues pruned to eliminate duplicates Z: 11 12.949 1.736 0.305 0.858 1.000 0.800 N 1.331 12 residues pruned to eliminate duplicates Z: 12 20.859 1.835 0.662 0.901 1.000 0.818 CB 1.471 14 residues pruned to eliminate duplicates Z: 21 14.210 1.671 0.335 0.896 1.000 0.800 CB 1.020 21 residues pruned to eliminate duplicates Z: 10 17.426 1.837 1.043 0.908 0.889 0.778 CB 1.236 10 residues pruned to eliminate duplicates Z: 13 14.486 1.725 0.527 0.822 0.917 0.500 CB 1.310 13 residues pruned to eliminate duplicates Z: 15 21.597 1.712 0.787 0.896 1.000 0.786 CB 1.352 15 residues pruned to eliminate duplicates Z: 11 11.807 1.866 0.018 0.893 1.000 0.900 O 1.411 11 residues pruned to eliminate duplicates Z: 9 6.163 1.477 0.505 0.840 0.875 0.875 CB 0.836 Z: 7 8.613 1.698 0.227 0.883 1.000 1.000 CB 1.220 7 residues pruned to eliminate duplicates Z: 24 18.181 1.716 0.620 0.905 1.000 0.826 CB 0.970 23 residues pruned to eliminate duplicates Z: 10 8.326 1.549 0.385 0.871 1.000 1.000 CB 0.943 13 residues pruned to eliminate duplicates 6 1.450 1.659 0.085 0.861 1.000 1.000 CB 0.265 ? Z: 10 3.934 1.650 0.661 0.730 0.667 0.556 CB 0.583 7 residues pruned to eliminate duplicates Z: 25 11.990 1.706 0.510 0.517 0.792 0.333 CB 1.180 36 residues pruned to eliminate duplicates Z: 12 23.855 1.895 0.835 0.910 1.000 0.909 CB 1.467 12 residues pruned to eliminate duplicates Z: 10 4.376 1.492 0.010 0.452 1.000 0.556 CB 1.018 6 residues pruned to eliminate duplicates Z: 12 5.401 1.455 0.405 0.328 0.909 0.636 N 1.059 Z: 23 18.312 1.994 0.602 0.498 0.909 0.591 CB 1.348 23 residues pruned to eliminate duplicates Z: 10 7.543 1.567 0.182 0.721 1.000 1.000 CB 1.111 Z: 12 10.713 1.451 0.568 0.828 0.909 0.818 N 1.175 12 residues pruned to eliminate duplicates Z: 8 2.334 1.490 0.263 0.228 0.857 0.714 CB 0.751 8 residues pruned to eliminate duplicates Z: 17 10.537 1.747 0.536 0.610 0.875 0.750 CB 1.011 17 residues pruned to eliminate duplicates Z: 11 16.496 1.795 0.468 0.860 1.000 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 14 20.503 1.795 0.449 0.933 1.000 1.000 N 1.526 14 residues pruned to eliminate duplicates Z: 10 6.618 1.591 0.418 0.639 0.889 0.778 CB 0.966 Z: 13 20.310 1.881 0.735 0.830 0.917 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 12 9.481 1.555 0.501 0.912 0.909 0.727 CB 0.955 12 residues pruned to eliminate duplicates Z: 9 2.253 1.272 0.603 0.253 0.750 0.250 CB 0.692 Z: 12 17.830 1.780 0.734 0.784 1.000 0.545 CA 1.357 10 residues pruned to eliminate duplicates Z: 23 15.357 1.702 0.835 0.667 0.909 0.409 CB 0.988 23 residues pruned to eliminate duplicates Z: 22 14.137 1.854 0.663 0.511 0.905 0.571 CB 1.094 22 residues pruned to eliminate duplicates Z: 7 4.132 1.546 0.255 0.615 0.833 0.667 CB 0.936 7 residues pruned to eliminate duplicates Z: 8 2.031 1.725 0.301 0.895 1.000 1.000 CB 0.245 Z: 8 4.545 1.782 0.329 0.702 1.000 0.857 CB 0.604 Z: 7 7.263 1.810 0.160 0.500 1.000 0.833 CB 1.412 Z: 7 7.481 1.819 0.219 0.554 0.833 0.833 CB 1.568 7 residues pruned to eliminate duplicates Z: 12 22.666 1.744 0.822 0.890 1.000 1.000 CB 1.547 13 residues pruned to eliminate duplicates Z: 7 3.921 1.734 0.643 0.376 0.833 0.500 CB 0.770 5 residues pruned to eliminate duplicates Z: 8 3.463 1.239 0.651 0.507 0.714 0.571 C 0.889 Z: 13 20.509 1.820 0.699 0.908 0.917 0.833 CB 1.483 13 residues pruned to eliminate duplicates Z: 18 15.726 1.704 0.794 0.913 1.000 0.882 CB 0.883 18 residues pruned to eliminate duplicates Z: 18 13.814 1.581 0.623 0.793 0.824 0.706 CB 1.226 18 residues pruned to eliminate duplicates Z: 6 4.102 1.659 0.657 0.636 0.800 0.600 CB 0.734 6 residues pruned to eliminate duplicates Z: 9 5.975 1.701 -0.018 0.721 1.000 0.500 CB 1.035 9 residues pruned to eliminate duplicates Z: 9 9.512 1.667 0.424 0.617 1.000 0.500 CB 1.268 11 residues pruned to eliminate duplicates Z: 26 24.316 1.738 0.671 0.925 1.000 0.840 CB 1.175 26 residues pruned to eliminate duplicates Z: 14 6.938 1.769 0.054 0.496 0.923 0.385 CB 1.123 14 residues pruned to eliminate duplicates Z: 15 11.311 1.646 0.613 0.530 0.786 0.571 CB 1.407 16 residues pruned to eliminate duplicates Z: 10 4.843 1.415 0.237 0.544 0.889 0.667 CB 0.993 9 residues pruned to eliminate duplicates Z: 13 7.613 1.469 0.808 0.823 0.917 0.750 CB 0.683 5 residues pruned to eliminate duplicates Z: 8 10.376 1.873 0.530 0.762 0.857 0.714 CB 1.265 6 residues pruned to eliminate duplicates Z: 10 5.103 1.666 0.654 0.906 1.000 0.667 CB 0.439 Z: 24 18.516 1.754 0.699 0.516 0.913 0.565 CB 1.397 16 residues pruned to eliminate duplicates Z: 15 9.832 1.500 0.553 0.859 0.929 0.714 CB 0.894 Z: 14 13.786 1.671 0.748 0.926 1.000 1.000 CB 0.918 14 residues pruned to eliminate duplicates Z: 11 10.078 1.579 0.596 0.903 1.000 0.600 CB 0.902 Z: 9 11.861 1.894 0.671 0.611 1.000 0.750 CB 1.193 9 residues pruned to eliminate duplicates Z: 12 12.375 1.761 0.747 0.896 1.000 0.818 CB 0.869 12 residues pruned to eliminate duplicates Z: 15 10.692 1.644 0.347 0.840 1.000 0.714 CB 0.963 14 residues pruned to eliminate duplicates Z: 12 12.019 1.656 0.741 0.813 1.000 0.818 CB 0.958 12 residues pruned to eliminate duplicates Z: 11 9.830 1.494 0.301 0.849 1.000 0.900 N 1.185 11 residues pruned to eliminate duplicates Z: 10 11.368 1.710 0.725 0.896 1.000 0.778 CB 0.920 10 residues pruned to eliminate duplicates Z: 13 12.481 1.608 0.425 0.875 0.917 0.917 CB 1.248 12 residues pruned to eliminate duplicates Z: 6 5.172 1.704 0.756 0.866 0.800 0.800 CB 0.707 Z: 7 7.304 1.624 0.400 0.622 0.833 0.667 CA 1.403 8 residues pruned to eliminate duplicates Z: 14 11.535 1.556 0.371 0.886 1.000 0.846 CB 1.082 11 residues pruned to eliminate duplicates Z: 9 12.776 1.651 0.729 0.902 0.875 0.625 N 1.290 9 residues pruned to eliminate duplicates Z: 25 17.367 1.570 0.662 0.915 0.917 0.667 CB 1.048 24 residues pruned to eliminate duplicates Z: 10 11.964 1.630 0.632 0.910 1.000 0.667 CB 1.063 10 residues pruned to eliminate duplicates Z: 12 16.659 1.682 0.957 0.881 0.909 0.818 CB 1.216 12 residues pruned to eliminate duplicates Z: 6 3.218 1.237 0.462 0.298 1.000 0.400 N 0.997 Z: 14 14.754 1.628 0.308 0.868 1.000 1.000 CB 1.405 13 residues pruned to eliminate duplicates Z: 13 13.489 1.791 0.494 0.839 0.917 0.833 CB 1.186 13 residues pruned to eliminate duplicates Z: 23 10.022 1.626 0.224 0.871 0.955 0.818 CB 0.820 23 residues pruned to eliminate duplicates Z: 14 12.832 1.679 0.437 0.811 1.000 0.846 CB 1.125 14 residues pruned to eliminate duplicates Z: 11 6.609 1.649 0.352 0.588 0.800 0.800 CB 1.077 5 residues pruned to eliminate duplicates Z: 8 5.281 1.651 0.611 0.857 0.857 0.714 CB 0.645 Z: 6 2.445 1.374 -0.046 0.458 1.000 0.600 CB 0.870 Z: 21 13.625 1.774 0.642 0.638 0.750 0.550 CB 1.225 21 residues pruned to eliminate duplicates Z: 7 5.706 1.506 0.391 0.802 1.000 0.500 CB 0.854 6 residues pruned to eliminate duplicates Z: 8 3.063 1.406 0.300 0.237 0.857 0.286 CB 1.003 Z: 16 11.707 1.625 0.671 0.805 0.867 0.800 CB 0.984 16 residues pruned to eliminate duplicates Z: 20 14.635 1.733 0.630 0.499 0.947 0.526 CB 1.255 20 residues pruned to eliminate duplicates Z: 7 3.189 1.701 0.269 0.378 0.667 0.667 CB 1.030 Z: 21 11.705 1.608 0.377 0.862 0.950 0.800 CB 0.913 21 residues pruned to eliminate duplicates Z: 25 17.389 1.811 0.543 0.632 0.875 0.792 CB 1.282 32 residues pruned to eliminate duplicates Z: 8 3.299 1.504 -0.016 0.418 0.714 0.286 O 1.285 Z: 12 3.709 1.456 0.414 0.293 0.727 0.364 N 0.942 Z: 12 5.547 1.773 0.391 0.412 0.818 0.727 CB 0.909 12 residues pruned to eliminate duplicates Z: 10 4.346 1.449 0.540 0.505 0.778 0.444 CB 0.831 Z: 12 16.209 1.722 0.388 0.876 1.000 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 6 3.827 1.336 0.062 0.792 0.800 0.600 CB 1.167 5 residues pruned to eliminate duplicates Z: 11 10.140 1.610 0.610 0.820 0.800 0.700 CB 1.171 Z: 12 12.898 1.621 0.530 0.876 0.909 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 10 2.563 1.387 0.443 0.264 0.556 0.333 CB 1.006 Z: 7 3.599 1.697 0.120 0.847 1.000 0.833 CB 0.574 7 residues pruned to eliminate duplicates Z: 14 9.206 1.623 0.512 0.677 1.000 0.923 CB 0.884 6 residues pruned to eliminate duplicates Z: 10 5.199 1.610 0.218 0.570 0.778 0.444 CB 1.062 10 residues pruned to eliminate duplicates Z: 13 15.507 1.652 0.655 0.871 1.000 0.583 CB 1.194 12 residues pruned to eliminate duplicates 7 1.752 0.961 0.441 0.330 0.833 0.333 CB 0.747 ? Z: 13 5.501 1.786 0.472 0.189 0.833 0.583 CB 1.052 13 residues pruned to eliminate duplicates Z: 11 10.727 1.543 0.521 0.886 1.000 0.700 CB 1.042 11 residues pruned to eliminate duplicates Z: 11 10.337 1.490 0.647 0.858 1.000 0.900 CB 0.981 Z: 8 7.594 1.431 0.634 0.692 0.857 0.571 O 1.201 Z: 15 14.467 1.846 0.296 0.893 1.000 1.000 CB 1.160 15 residues pruned to eliminate duplicates Z: 10 7.938 1.714 0.138 0.878 1.000 0.667 N 0.984 8 residues pruned to eliminate duplicates Z: 8 5.558 1.624 0.664 0.645 1.000 0.857 CB 0.679 8 residues pruned to eliminate duplicates Z: 12 16.883 1.706 0.574 0.885 1.000 1.000 CA 1.368 11 residues pruned to eliminate duplicates Z: 8 2.429 1.212 0.400 0.241 0.857 0.286 CB 0.852 Z: 7 5.868 1.440 0.793 0.490 0.833 0.667 CB 1.125 Z: 22 18.816 1.642 0.544 0.865 0.952 0.905 CB 1.247 21 residues pruned to eliminate duplicates Z: 9 8.199 1.567 0.595 0.838 1.000 0.625 CB 0.867 7 residues pruned to eliminate duplicates Z: 13 17.299 1.717 0.644 0.903 1.000 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 11 5.262 1.540 0.283 0.419 0.700 0.500 CA 1.309 11 residues pruned to eliminate duplicates Z: 11 11.759 1.698 0.394 0.926 1.000 1.000 CB 1.101 11 residues pruned to eliminate duplicates Z: 8 14.172 1.768 0.509 0.878 1.000 0.857 N 1.456 8 residues pruned to eliminate duplicates Z: 9 4.297 1.667 0.739 0.856 1.000 0.875 CB 0.387 8 residues pruned to eliminate duplicates Z: 6 2.203 1.551 0.186 0.808 1.000 0.400 CB 0.409 Z: 23 17.062 1.877 0.535 0.562 0.955 0.591 CB 1.245 23 residues pruned to eliminate duplicates Z: 9 8.188 1.578 0.189 0.849 1.000 0.875 CB 1.144 9 residues pruned to eliminate duplicates Z: 6 2.865 1.545 0.828 0.364 0.800 0.400 CB 0.656 Z: 7 4.586 1.495 0.318 0.471 1.000 0.667 CB 0.979 Z: 17 17.264 1.618 0.545 0.906 1.000 0.875 CB 1.227 17 residues pruned to eliminate duplicates Z: 9 7.837 1.614 0.109 0.867 1.000 1.000 CB 1.133 9 residues pruned to eliminate duplicates Z: 11 4.621 1.592 0.765 0.782 0.800 0.600 CB 0.507 10 residues pruned to eliminate duplicates Z: 8 6.716 1.780 0.583 0.745 1.000 0.714 CB 0.724 Z: 7 5.432 1.656 0.577 0.245 1.000 0.500 N 1.140 Z: 11 10.657 1.709 0.301 0.844 0.800 0.700 CB 1.409 11 residues pruned to eliminate duplicates Z: 7 6.547 1.441 0.596 0.726 0.833 0.500 CA 1.137 7 residues pruned to eliminate duplicates Z: 8 2.418 1.260 0.414 0.287 0.714 0.286 CB 0.913 Z: 6 3.748 1.165 0.639 0.518 1.000 0.600 CB 0.862 Z: 11 9.276 1.537 0.321 0.905 1.000 0.900 CB 1.029 10 residues pruned to eliminate duplicates Z: 8 2.822 1.405 -0.010 0.485 0.857 0.714 CB 0.909 Z: 6 5.333 1.504 0.578 0.824 1.000 1.000 CB 0.759 6 residues pruned to eliminate duplicates Z: 16 12.529 1.694 0.299 0.887 1.000 0.800 CB 1.060 16 residues pruned to eliminate duplicates Z: 14 10.497 1.486 0.366 0.871 1.000 0.846 CB 1.047 14 residues pruned to eliminate duplicates Z: 11 5.513 1.623 0.439 0.825 0.900 0.700 CB 0.626 11 residues pruned to eliminate duplicates Z: 7 6.569 1.558 0.232 0.838 0.833 0.833 O 1.253 7 residues pruned to eliminate duplicates Z: 6 3.157 1.562 0.048 0.443 0.800 0.600 N 1.144 Z: 15 17.512 1.721 0.472 0.872 1.000 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 8 8.006 1.603 0.661 0.873 1.000 0.714 CB 0.828 8 residues pruned to eliminate duplicates Z: 10 5.997 1.475 1.020 0.469 0.778 0.778 N 0.890 11 residues pruned to eliminate duplicates Z: 19 11.426 1.697 0.537 0.710 0.778 0.611 CB 1.098 19 residues pruned to eliminate duplicates Z: 11 21.588 1.910 0.676 0.875 1.000 0.900 CB 1.551 11 residues pruned to eliminate duplicates Z: 7 6.070 1.474 0.463 0.462 1.000 0.667 CB 1.194 Z: 8 8.303 1.497 0.936 0.877 0.857 0.571 CB 0.917 Z: 12 5.457 1.334 1.052 0.873 0.909 0.545 CB 0.482 Z: 10 4.412 1.307 0.504 0.419 0.889 0.556 CB 0.915 Z: 7 2.794 1.513 -0.009 0.751 1.000 0.667 CB 0.608 7 residues pruned to eliminate duplicates Z: 8 4.218 1.664 0.444 0.610 0.857 0.714 CB 0.697 7 residues pruned to eliminate duplicates Z: 15 10.925 1.423 0.575 0.877 1.000 0.786 CB 0.946 9 residues pruned to eliminate duplicates Z: 21 5.070 1.538 0.134 0.292 0.900 0.650 CB 0.913 21 residues pruned to eliminate duplicates Z: 13 9.772 1.695 0.388 0.831 1.000 0.417 CB 0.901 13 residues pruned to eliminate duplicates Z: 25 17.760 1.690 0.761 0.946 1.000 0.917 CB 0.842 25 residues pruned to eliminate duplicates Z: 8 4.449 1.329 0.606 0.524 0.857 0.571 C 0.898 Z: 6 5.189 1.490 0.504 0.821 1.000 0.800 CB 0.784 7 1.743 1.275 -0.059 0.360 0.667 0.500 CA 1.034 ? Z: 14 14.901 1.613 0.728 0.878 0.923 0.385 CB 1.165 14 residues pruned to eliminate duplicates Z: 9 8.882 1.537 0.748 0.884 0.875 0.750 CB 0.966 9 residues pruned to eliminate duplicates 8 1.194 1.447 -0.114 0.295 0.714 0.714 CB 0.620 ? Z: 7 5.753 1.459 0.672 0.660 0.833 0.500 CB 0.996 Z: 8 3.024 1.445 0.315 0.318 0.714 0.571 CB 1.029 Z: 13 10.280 1.497 0.350 0.879 1.000 0.750 CB 1.065 13 residues pruned to eliminate duplicates Z: 18 12.000 1.654 0.604 0.510 0.824 0.706 CB 1.319 40 residues pruned to eliminate duplicates Z: 11 5.988 1.582 0.405 0.392 0.900 0.800 CB 1.060 11 residues pruned to eliminate duplicates Z: 10 9.558 1.558 0.349 0.891 1.000 1.000 CB 1.090 10 residues pruned to eliminate duplicates Z: 16 19.143 1.865 0.660 0.646 1.000 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 12 9.909 1.480 0.786 0.844 0.909 0.818 N 0.925 10 residues pruned to eliminate duplicates Z: 24 16.747 1.652 0.564 0.915 0.957 0.913 CB 0.998 24 residues pruned to eliminate duplicates Z: 7 12.166 1.847 0.406 0.867 1.000 1.000 CB 1.399 7 residues pruned to eliminate duplicates Z: 6 5.322 1.794 0.328 0.841 1.000 0.600 CB 0.745 6 residues pruned to eliminate duplicates Z: 8 5.028 1.734 0.258 0.430 0.714 0.429 N 1.310 8 residues pruned to eliminate duplicates Z: 10 10.228 1.534 0.621 0.862 1.000 0.667 CB 1.007 10 residues pruned to eliminate duplicates Z: 23 16.853 1.648 0.903 0.917 0.955 0.636 CB 0.847 25 residues pruned to eliminate duplicates Z: 8 4.461 1.377 0.769 0.846 0.857 0.571 CB 0.600 Z: 10 15.973 1.851 0.347 0.851 1.000 0.889 CA 1.580 10 residues pruned to eliminate duplicates Z: 11 12.095 1.699 0.485 0.830 1.000 0.800 CB 1.140 10 residues pruned to eliminate duplicates Z: 6 3.056 1.517 0.713 0.427 0.600 0.400 CB 0.946 Z: 26 12.751 1.713 0.517 0.473 0.800 0.520 CB 1.261 26 residues pruned to eliminate duplicates Z: 6 4.465 1.365 0.553 0.578 1.000 0.600 N 0.874 Z: 12 16.744 1.818 0.505 0.878 1.000 0.636 CB 1.339 12 residues pruned to eliminate duplicates Z: 15 13.170 1.766 0.320 0.887 1.000 0.929 CB 1.088 15 residues pruned to eliminate duplicates Z: 12 14.495 1.630 0.470 0.909 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 11 6.809 1.635 0.664 0.465 1.000 0.600 CB 0.821 Z: 16 7.146 1.637 0.418 0.646 0.800 0.600 CB 0.867 15 residues pruned to eliminate duplicates Z: 12 8.299 1.474 0.261 0.863 1.000 0.818 CB 0.988 12 residues pruned to eliminate duplicates Z: 8 5.314 1.653 -0.087 0.675 0.857 0.714 CB 1.321 8 residues pruned to eliminate duplicates Z: 13 19.944 1.864 0.849 0.798 0.917 0.750 CB 1.404 13 residues pruned to eliminate duplicates Z: 9 3.678 1.584 0.348 0.363 0.750 0.500 CB 0.941 8 residues pruned to eliminate duplicates Z: 14 8.272 1.690 0.244 0.465 0.846 0.462 CB 1.337 Z: 10 9.163 1.486 0.497 0.887 1.000 0.778 CB 0.990 10 residues pruned to eliminate duplicates Z: 20 11.364 1.686 0.538 0.506 0.895 0.632 CB 1.117 12 residues pruned to eliminate duplicates Z: 6 5.566 1.551 0.667 0.774 0.800 0.400 CB 0.945 6 residues pruned to eliminate duplicates Z: 13 4.203 1.725 0.038 0.204 0.833 0.583 CB 1.154 Z: 12 11.428 1.629 0.737 0.713 1.000 0.818 CB 1.004 12 residues pruned to eliminate duplicates Z: 14 9.843 1.518 0.587 0.860 0.923 0.769 CB 0.903 14 residues pruned to eliminate duplicates Z: 14 15.711 1.759 0.644 0.905 0.923 0.846 CB 1.161 14 residues pruned to eliminate duplicates Z: 19 5.985 1.400 0.466 0.374 0.778 0.167 N 1.011 8 residues pruned to eliminate duplicates Z: 35 17.293 1.734 0.515 0.551 0.853 0.588 CB 1.260 22 residues pruned to eliminate duplicates Z: 11 9.378 1.698 0.630 0.560 1.000 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 8 5.794 1.571 0.296 0.675 1.000 0.714 N 0.915 Z: 8 8.575 1.805 0.220 0.817 0.857 0.857 CB 1.304 8 residues pruned to eliminate duplicates Z: 7 7.299 1.665 0.192 0.630 1.000 0.833 CB 1.329 8 residues pruned to eliminate duplicates Z: 10 5.984 1.421 0.440 0.415 1.000 0.889 CB 1.066 Z: 6 4.670 1.559 0.539 0.296 0.800 0.400 CA 1.368 Z: 13 7.888 1.384 0.179 0.877 0.917 0.833 CB 1.105 13 residues pruned to eliminate duplicates Z: 15 11.636 1.503 0.490 0.765 0.929 0.643 N 1.183 15 residues pruned to eliminate duplicates Z: 12 17.602 1.770 0.606 0.914 1.000 0.818 CB 1.320 12 residues pruned to eliminate duplicates Z: 11 9.778 1.791 1.024 0.892 0.900 0.700 CB 0.681 10 residues pruned to eliminate duplicates Z: 18 10.536 1.731 0.579 0.454 0.882 0.412 CB 1.111 18 residues pruned to eliminate duplicates Z: 10 6.356 1.520 0.786 0.546 0.889 0.667 CB 0.839 Z: 6 4.200 1.310 0.657 0.620 0.800 0.600 CB 0.966 Z: 6 5.569 1.694 0.896 0.765 1.000 0.800 CB 0.613 Z: 9 5.901 1.518 0.552 0.387 0.750 0.500 CA 1.332 9 residues pruned to eliminate duplicates 6 1.038 1.175 0.044 0.420 0.600 0.400 CB 0.686 ? Z: 14 11.365 1.513 0.265 0.861 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 13 12.453 1.551 0.461 0.840 0.917 0.667 CB 1.292 13 residues pruned to eliminate duplicates Z: 7 2.099 1.369 0.347 0.293 0.667 0.333 CB 0.880 Z: 13 4.635 1.723 0.444 0.603 0.917 0.583 CB 0.532 Z: 6 2.813 1.559 0.163 0.416 0.600 0.400 CB 1.263 Z: 6 2.774 1.319 0.026 0.518 0.800 0.600 CB 1.126 6 residues pruned to eliminate duplicates Z: 8 2.248 1.571 0.395 0.210 0.429 0.429 CB 1.275 3 residues pruned to eliminate duplicates Z: 7 2.943 1.583 0.620 0.407 0.833 0.667 CB 0.620 Z: 13 11.215 1.553 0.553 0.883 0.917 0.833 CB 1.058 13 residues pruned to eliminate duplicates Z: 16 10.088 1.603 0.418 0.692 0.800 0.467 CB 1.202 16 residues pruned to eliminate duplicates Z: 23 20.824 1.660 0.722 0.907 1.000 0.773 CB 1.104 23 residues pruned to eliminate duplicates Z: 13 9.354 1.510 0.429 0.855 1.000 0.833 CB 0.923 11 residues pruned to eliminate duplicates Z: 11 11.714 1.742 0.769 0.890 1.000 0.800 CB 0.865 11 residues pruned to eliminate duplicates Z: 17 14.372 1.736 0.757 0.920 1.000 0.812 CB 0.830 12 residues pruned to eliminate duplicates Z: 12 8.521 1.468 0.217 0.901 1.000 0.818 CB 1.026 12 residues pruned to eliminate duplicates Z: 13 6.496 1.461 0.644 0.742 0.917 0.667 CB 0.686 Z: 15 23.142 1.812 0.785 0.879 1.000 0.786 CB 1.387 15 residues pruned to eliminate duplicates Z: 7 10.642 1.674 0.753 0.892 1.000 1.000 CB 1.063 7 residues pruned to eliminate duplicates Z: 15 11.095 1.633 0.428 0.570 0.929 0.643 CB 1.279 15 residues pruned to eliminate duplicates Z: 6 3.794 1.503 -0.137 0.835 1.000 0.800 CB 0.980 6 residues pruned to eliminate duplicates Z: 10 2.186 1.504 -0.182 0.435 0.889 0.444 CB 0.712 Z: 7 4.024 1.438 0.769 0.365 0.833 0.667 CB 0.896 Z: 13 7.620 1.591 0.460 0.641 1.000 0.750 CB 0.830 13 residues pruned to eliminate duplicates Z: 9 6.404 1.742 0.486 0.442 0.750 0.750 CB 1.238 9 residues pruned to eliminate duplicates Z: 22 16.451 1.583 0.535 0.866 0.905 0.714 CB 1.195 22 residues pruned to eliminate duplicates Z: 12 10.535 1.463 0.719 0.851 0.909 0.636 N 1.028 10 residues pruned to eliminate duplicates Z: 26 21.708 1.580 0.585 0.921 0.960 0.840 CB 1.271 21 residues pruned to eliminate duplicates Z: 15 13.174 1.725 0.382 0.864 1.000 0.714 CB 1.083 15 residues pruned to eliminate duplicates Z: 6 2.821 1.499 0.433 0.471 0.600 0.600 N 1.007 4 residues pruned to eliminate duplicates Z: 22 18.877 1.613 0.627 0.843 0.905 0.762 CB 1.292 22 residues pruned to eliminate duplicates 6 1.243 1.408 0.581 0.475 0.600 0.600 CB 0.427 ? Z: 17 15.112 1.579 0.508 0.894 0.938 0.938 CB 1.214 17 residues pruned to eliminate duplicates Z: 22 9.927 1.632 0.870 0.434 0.762 0.429 CB 0.998 22 residues pruned to eliminate duplicates Z: 19 6.097 1.681 0.243 0.300 0.778 0.500 CB 1.106 19 residues pruned to eliminate duplicates Z: 10 6.506 1.629 0.117 0.660 0.778 0.556 O 1.320 7 residues pruned to eliminate duplicates Z: 13 13.076 1.511 0.500 0.852 1.000 0.750 N 1.232 12 residues pruned to eliminate duplicates Z: 12 13.470 1.592 0.604 0.833 1.000 0.727 CB 1.194 19 residues pruned to eliminate duplicates Z: 7 4.137 1.700 0.615 0.639 0.833 0.667 CB 0.648 Z: 10 10.413 1.557 0.392 0.859 1.000 0.889 CB 1.178 10 residues pruned to eliminate duplicates Z: 12 8.352 1.731 0.222 0.887 1.000 0.636 CB 0.858 12 residues pruned to eliminate duplicates Z: 9 5.805 1.446 0.473 0.611 0.750 0.750 CB 1.157 6 residues pruned to eliminate duplicates Z: 6 4.708 1.506 0.417 0.486 1.000 0.800 CB 1.001 2 residues pruned to eliminate duplicates Z: 9 4.570 1.713 0.274 0.532 0.750 0.625 CB 0.956 9 residues pruned to eliminate duplicates Z: 7 4.950 1.593 0.185 0.803 1.000 0.833 CB 0.822 6 residues pruned to eliminate duplicates Z: 13 11.241 1.566 0.598 0.906 0.917 0.667 CB 1.006 13 residues pruned to eliminate duplicates Z: 7 4.311 1.537 0.940 0.326 0.833 0.833 CB 0.858 Z: 13 23.166 1.683 0.888 0.908 1.000 1.000 CB 1.495 13 residues pruned to eliminate duplicates Z: 11 5.732 1.396 0.532 0.382 0.800 0.500 O 1.201 11 residues pruned to eliminate duplicates Z: 8 2.457 1.429 0.252 0.619 0.857 0.571 CB 0.541 Z: 8 5.861 1.546 0.638 0.446 0.714 0.571 CB 1.293 9 residues pruned to eliminate duplicates Z: 13 21.959 1.774 0.751 0.883 1.000 0.667 N 1.476 21 residues pruned to eliminate duplicates Z: 11 12.217 1.608 0.641 0.844 1.000 0.700 CB 1.090 10 residues pruned to eliminate duplicates Z: 7 4.868 1.606 0.640 0.362 1.000 0.500 CB 0.875 5 residues pruned to eliminate duplicates Z: 8 5.786 1.754 0.396 0.813 1.000 0.857 CB 0.680 Z: 7 3.975 1.459 -0.108 0.833 1.000 1.000 CB 0.935 Z: 29 11.457 1.546 0.569 0.455 0.786 0.536 CB 1.189 29 residues pruned to eliminate duplicates Z: 11 3.517 1.337 0.420 0.429 0.700 0.400 CB 0.900 Z: 9 5.133 1.612 0.310 0.407 0.750 0.625 CB 1.263 9 residues pruned to eliminate duplicates Z: 9 4.073 1.456 0.800 0.439 0.750 0.375 CB 0.780 Z: 7 2.721 1.462 0.092 0.369 0.667 0.500 O 1.200 Z: 14 14.397 1.729 0.352 0.848 1.000 0.846 CA 1.268 13 residues pruned to eliminate duplicates Z: 11 13.557 1.794 0.806 0.858 0.900 0.600 CB 1.083 11 residues pruned to eliminate duplicates 6 1.911 1.368 0.082 0.461 0.600 0.400 N 1.002 ? Z: 8 2.135 0.968 0.790 0.559 0.857 0.714 CB 0.513 Z: 6 3.150 1.599 0.338 0.672 0.800 0.400 CB 0.702 Z: 6 5.537 1.644 0.461 0.341 1.000 0.600 CB 1.226 Z: 22 21.660 1.850 0.834 0.565 0.952 0.476 CB 1.374 22 residues pruned to eliminate duplicates Z: 22 18.281 1.629 0.596 0.789 0.952 0.619 CB 1.250 22 residues pruned to eliminate duplicates Z: 6 9.234 1.686 0.555 0.772 1.000 0.600 CB 1.238 6 residues pruned to eliminate duplicates 8 1.781 1.671 -0.039 0.758 1.000 0.714 CB 0.333 ? Z: 9 3.666 1.383 0.493 0.327 0.875 0.375 N 0.868 Z: 9 5.028 1.515 0.922 0.768 0.875 0.750 CB 0.550 Z: 7 4.459 1.304 0.738 0.623 0.833 0.500 CA 0.858 7 residues pruned to eliminate duplicates Z: 14 9.135 1.465 0.201 0.887 1.000 1.000 CB 1.038 14 residues pruned to eliminate duplicates Z: 26 20.755 1.823 0.709 0.600 0.960 0.720 CB 1.262 20 residues pruned to eliminate duplicates Z: 16 10.218 1.546 0.689 0.840 0.867 0.600 CB 0.870 19 residues pruned to eliminate duplicates Z: 7 4.741 1.379 0.156 0.855 1.000 0.833 CB 0.896 Z: 7 3.306 1.669 0.045 0.734 1.000 0.667 CB 0.627 Z: 10 3.188 1.438 0.536 0.364 0.556 0.222 N 1.003 Z: 8 5.566 1.469 0.627 0.768 0.857 0.571 CB 0.810 6 0.810 1.696 1.001 0.875 1.000 1.000 CB 0.078 ? Z: 8 3.836 1.316 0.583 0.743 0.714 0.571 CB 0.784 Z: 10 5.072 1.637 0.389 0.440 0.778 0.444 CB 1.016 Z: 11 3.488 1.349 0.274 0.250 0.700 0.300 O 1.222 Z: 7 6.486 1.656 0.610 0.595 1.000 0.667 CB 0.906 7 residues pruned to eliminate duplicates Z: 8 2.622 1.527 0.350 0.286 0.714 0.571 CB 0.856 Z: 13 12.834 1.744 0.594 0.835 0.917 0.583 CB 1.089 13 residues pruned to eliminate duplicates Z: 13 10.758 1.507 0.592 0.845 0.917 0.250 CB 1.050 13 residues pruned to eliminate duplicates Z: 10 17.404 1.797 0.540 0.881 1.000 0.889 CA 1.518 10 residues pruned to eliminate duplicates Z: 6 4.430 1.489 0.371 0.690 0.800 0.800 CB 1.019 Z: 11 6.608 1.576 0.364 0.851 0.900 0.700 CB 0.799 11 residues pruned to eliminate duplicates 6 1.770 1.034 0.643 0.496 0.800 0.800 C 0.585 ? Z: 14 7.347 1.733 0.257 0.570 0.769 0.615 CB 1.136 28 residues pruned to eliminate duplicates Z: 10 6.474 1.655 0.426 0.889 1.000 0.889 CB 0.658 6 residues pruned to eliminate duplicates Z: 6 2.584 1.276 0.432 0.298 1.000 0.400 CB 0.793 Z: 6 3.910 1.311 0.659 0.671 1.000 0.400 CB 0.687 3 residues pruned to eliminate duplicates Z: 8 2.559 1.320 0.160 0.300 0.714 0.714 CB 1.106 8 residues pruned to eliminate duplicates Z: 7 6.078 1.530 0.257 0.764 1.000 0.667 CB 1.021 Z: 10 13.160 1.706 0.625 0.876 0.889 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 16 11.304 1.540 0.478 0.748 0.867 0.667 CB 1.185 16 residues pruned to eliminate duplicates Z: 13 10.206 1.561 0.430 0.867 1.000 0.750 CB 0.966 15 residues pruned to eliminate duplicates Z: 14 15.577 1.793 0.393 0.920 1.000 1.000 CB 1.218 14 residues pruned to eliminate duplicates Z: 7 6.406 1.679 0.447 0.463 0.833 0.667 N 1.341 Z: 14 10.201 1.619 0.530 0.921 1.000 0.846 CB 0.804 14 residues pruned to eliminate duplicates Z: 11 11.224 1.680 0.250 0.804 1.000 0.800 N 1.296 11 residues pruned to eliminate duplicates Z: 8 2.910 1.343 0.482 0.212 0.714 0.286 O 1.086 Z: 8 3.083 1.504 -0.073 0.490 0.857 0.571 O 0.985 Z: 6 4.309 1.580 0.504 0.424 0.800 0.200 N 1.097 Z: 11 2.883 1.348 0.435 0.280 0.800 0.400 CB 0.755 Z: 7 12.947 1.768 0.888 0.901 1.000 1.000 CB 1.131 7 residues pruned to eliminate duplicates Z: 16 14.135 1.620 0.575 0.809 0.933 0.400 CB 1.171 16 residues pruned to eliminate duplicates Z: 8 4.251 1.315 0.289 0.745 0.857 0.571 O 0.888 Z: 13 7.675 1.576 0.656 0.567 0.833 0.583 CB 0.954 20 residues pruned to eliminate duplicates Z: 13 10.946 1.491 0.524 0.909 1.000 0.750 CB 0.987 13 residues pruned to eliminate duplicates Z: 7 4.768 1.480 0.388 0.796 1.000 0.667 CB 0.731 Z: 13 9.146 1.516 0.487 0.500 1.000 0.667 CB 1.171 13 residues pruned to eliminate duplicates Z: 23 6.339 1.538 0.395 0.364 0.818 0.409 CB 0.891 23 residues pruned to eliminate duplicates Z: 9 2.279 1.604 0.199 0.230 0.750 0.375 CB 0.765 Z: 7 3.768 1.478 0.109 0.820 0.833 0.833 CB 0.853 7 residues pruned to eliminate duplicates Z: 9 4.063 1.427 0.021 0.549 1.000 0.500 N 0.940 Z: 16 12.320 1.469 0.563 0.906 1.000 0.467 CB 0.985 15 residues pruned to eliminate duplicates Z: 21 12.182 1.546 0.426 0.831 1.000 0.750 CB 0.928 21 residues pruned to eliminate duplicates Z: 16 6.556 1.610 0.406 0.556 0.600 0.333 CB 1.180 Z: 12 14.262 1.690 0.609 0.836 1.000 0.818 CA 1.184 12 residues pruned to eliminate duplicates Z: 25 18.371 1.809 0.596 0.604 0.833 0.417 CB 1.411 30 residues pruned to eliminate duplicates Z: 7 2.793 1.623 0.247 0.252 0.833 0.333 CB 0.899 7 residues pruned to eliminate duplicates Z: 12 3.927 1.422 0.388 0.351 0.727 0.364 CB 0.969 10 residues pruned to eliminate duplicates Z: 8 3.450 1.527 0.262 0.355 0.714 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 12 4.302 1.407 0.201 0.382 0.818 0.545 CB 1.064 Z: 15 9.293 1.732 0.246 0.559 0.929 0.786 CB 1.171 15 residues pruned to eliminate duplicates Z: 11 8.383 1.538 0.415 0.757 0.900 0.700 CB 1.077 11 residues pruned to eliminate duplicates Z: 15 6.626 1.677 0.556 0.350 0.643 0.357 CB 1.241 20 residues pruned to eliminate duplicates Z: 9 4.894 1.548 0.932 0.578 0.875 0.625 CB 0.613 Z: 11 9.884 1.515 0.435 0.921 1.000 0.900 CB 1.011 11 residues pruned to eliminate duplicates Z: 19 11.955 1.565 0.603 0.646 0.944 0.611 CB 1.038 19 residues pruned to eliminate duplicates Z: 17 13.031 1.689 0.555 0.875 0.938 0.750 CB 0.962 17 residues pruned to eliminate duplicates Z: 13 16.735 1.717 0.790 0.779 1.000 0.667 CA 1.229 13 residues pruned to eliminate duplicates Z: 7 6.854 1.423 0.762 0.791 1.000 0.833 CB 0.864 7 residues pruned to eliminate duplicates 6 0.713 1.243 0.273 0.256 0.600 0.400 CB 0.444 ? Z: 10 7.874 1.459 0.441 0.728 1.000 0.556 CB 1.016 10 residues pruned to eliminate duplicates Z: 7 7.831 1.524 0.574 0.707 0.833 0.500 CB 1.325 Z: 10 2.434 1.338 0.673 0.262 0.667 0.556 CB 0.714 Z: 12 4.124 1.507 0.211 0.384 0.727 0.455 N 1.060 10 residues pruned to eliminate duplicates Z: 6 2.916 1.016 0.679 0.612 1.000 0.400 O 0.687 6 residues pruned to eliminate duplicates Z: 7 2.566 1.230 0.151 0.527 0.833 0.833 O 0.864 Z: 10 3.330 1.438 0.304 0.332 0.889 0.444 CB 0.800 10 residues pruned to eliminate duplicates Z: 6 3.736 1.421 0.042 0.526 1.000 0.800 N 1.100 Z: 23 15.399 1.821 0.304 0.663 0.955 0.818 CB 1.246 23 residues pruned to eliminate duplicates Z: 6 5.060 1.224 0.559 0.748 1.000 0.800 N 0.951 Z: 9 4.371 1.502 0.606 0.518 0.625 0.375 N 1.007 Using tripeptides from previous cycle as seeds Z: 14 11.895 1.672 0.325 0.814 1.000 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 8 4.395 1.512 0.432 0.616 0.857 0.714 CA 0.802 8 residues pruned to eliminate duplicates Z: 14 15.586 1.778 0.495 0.843 1.000 0.769 CB 1.211 14 residues pruned to eliminate duplicates Z: 32 23.459 1.717 0.567 0.790 0.903 0.645 CB 1.344 32 residues pruned to eliminate duplicates Z: 23 16.585 1.669 0.632 0.734 0.818 0.636 CB 1.285 23 residues pruned to eliminate duplicates Z: 21 15.406 1.677 0.589 0.720 0.900 0.650 CB 1.178 21 residues pruned to eliminate duplicates Z: 18 17.278 1.656 0.822 0.792 0.941 0.706 CB 1.142 18 residues pruned to eliminate duplicates Z: 30 22.261 1.788 0.623 0.762 0.862 0.621 CB 1.310 29 residues pruned to eliminate duplicates Z: 13 13.275 1.727 0.602 0.861 0.833 0.333 CB 1.222 13 residues pruned to eliminate duplicates Z: 21 21.311 1.720 0.880 0.824 0.900 0.700 CB 1.237 21 residues pruned to eliminate duplicates Z: 26 23.748 1.768 0.700 0.914 0.960 0.840 CB 1.164 26 residues pruned to eliminate duplicates Z: 25 25.525 1.760 0.713 0.924 0.958 0.708 CB 1.266 25 residues pruned to eliminate duplicates Z: 25 24.598 1.771 0.672 0.919 1.000 0.792 CB 1.195 25 residues pruned to eliminate duplicates Z: 25 28.368 1.790 0.803 0.908 1.000 0.917 CB 1.274 25 residues pruned to eliminate duplicates Z: 21 20.291 1.721 0.735 0.867 0.950 0.600 CB 1.170 21 residues pruned to eliminate duplicates Z: 25 22.895 1.778 0.790 0.880 0.958 0.667 CB 1.111 25 residues pruned to eliminate duplicates Z: 20 15.393 1.802 0.723 0.890 0.789 0.684 CB 1.036 20 residues pruned to eliminate duplicates Z: 21 19.248 1.766 0.837 0.812 0.800 0.550 CB 1.265 21 residues pruned to eliminate duplicates Z: 24 25.081 1.757 0.892 0.938 1.000 0.609 CB 1.095 24 residues pruned to eliminate duplicates Z: 25 27.253 1.803 0.848 0.897 1.000 0.833 CB 1.195 25 residues pruned to eliminate duplicates Z: 26 25.450 1.775 0.910 0.900 0.960 0.600 CB 1.117 26 residues pruned to eliminate duplicates Z: 26 23.287 1.778 0.709 0.877 0.920 0.720 CB 1.211 26 residues pruned to eliminate duplicates Z: 42 30.764 1.776 0.768 0.814 0.902 0.707 CB 1.291 43 residues pruned to eliminate duplicates Z: 27 21.929 1.712 0.743 0.897 0.962 0.808 CB 1.073 27 residues pruned to eliminate duplicates Z: 13 13.706 1.658 0.657 0.807 0.917 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 13 12.915 1.691 0.493 0.736 1.000 0.750 CB 1.194 12 residues pruned to eliminate duplicates Z: 13 16.878 1.639 0.562 0.889 1.000 0.917 CB 1.370 13 residues pruned to eliminate duplicates Z: 13 15.942 1.750 0.598 0.833 1.000 0.833 CB 1.234 13 residues pruned to eliminate duplicates Z: 14 10.433 1.637 0.500 0.744 0.923 0.769 CB 1.027 14 residues pruned to eliminate duplicates Z: 15 11.876 1.623 0.452 0.772 0.929 0.857 CB 1.140 15 residues pruned to eliminate duplicates Z: 12 19.112 1.720 0.748 0.896 1.000 0.818 CB 1.373 13 residues pruned to eliminate duplicates Z: 11 15.475 1.766 0.472 0.845 1.000 0.900 CB 1.399 11 residues pruned to eliminate duplicates Z: 14 13.171 1.637 0.564 0.769 0.923 0.692 CB 1.218 14 residues pruned to eliminate duplicates Z: 18 12.367 1.575 0.513 0.680 0.941 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 16 10.997 1.616 0.453 0.794 1.000 0.667 CB 0.934 16 residues pruned to eliminate duplicates Z: 7 3.885 1.544 0.238 0.590 1.000 0.833 CB 0.761 Z: 6 4.133 1.583 -0.309 0.752 1.000 1.000 CB 1.350 5 residues pruned to eliminate duplicates Z: 8 5.312 1.523 0.008 0.657 0.857 0.571 N 1.320 6 residues pruned to eliminate duplicates Z: 6 6.559 1.582 0.330 0.742 0.800 0.600 O 1.403 8 residues pruned to eliminate duplicates Z: 12 16.190 1.841 0.679 0.710 0.909 0.545 N 1.435 12 residues pruned to eliminate duplicates Z: 13 14.844 1.838 0.508 0.655 0.917 0.583 CB 1.460 13 residues pruned to eliminate duplicates Z: 17 14.033 1.745 0.628 0.597 0.812 0.500 CB 1.386 17 residues pruned to eliminate duplicates Z: 17 10.752 1.765 0.447 0.542 0.812 0.562 CB 1.243 17 residues pruned to eliminate duplicates Z: 13 14.026 1.863 0.502 0.655 0.833 0.750 CB 1.504 13 residues pruned to eliminate duplicates Z: 17 11.869 1.656 0.472 0.567 0.875 0.625 N 1.303 17 residues pruned to eliminate duplicates Z: 12 13.426 1.876 0.392 0.688 0.818 0.636 N 1.595 12 residues pruned to eliminate duplicates Z: 14 14.236 1.834 0.460 0.618 0.923 0.538 CB 1.430 14 residues pruned to eliminate duplicates Z: 14 12.812 1.819 0.609 0.638 0.846 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 13 14.385 1.766 0.696 0.671 0.833 0.583 N 1.421 13 residues pruned to eliminate duplicates Z: 31 19.640 1.689 0.676 0.648 0.967 0.533 CB 1.142 50 residues pruned to eliminate duplicates Z: 16 18.590 1.735 0.688 0.772 0.933 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 25 16.963 1.738 0.671 0.547 0.917 0.417 CB 1.242 25 residues pruned to eliminate duplicates Z: 34 14.094 1.670 0.423 0.545 0.818 0.667 CB 1.207 34 residues pruned to eliminate duplicates Z: 20 13.954 1.754 0.599 0.557 0.895 0.368 CB 1.207 20 residues pruned to eliminate duplicates Z: 18 20.579 1.921 0.729 0.717 0.882 0.647 CB 1.399 18 residues pruned to eliminate duplicates Z: 17 19.058 1.943 0.617 0.691 0.875 0.688 CB 1.456 16 residues pruned to eliminate duplicates Z: 13 20.902 2.032 0.342 0.843 1.000 0.833 CB 1.649 13 residues pruned to eliminate duplicates Z: 24 22.226 1.878 0.798 0.641 0.957 0.652 CB 1.257 23 residues pruned to eliminate duplicates Z: 15 19.035 1.778 0.510 0.839 1.000 0.786 CB 1.416 15 residues pruned to eliminate duplicates Z: 16 21.577 1.998 0.631 0.755 1.000 0.733 CB 1.363 16 residues pruned to eliminate duplicates Z: 21 20.007 1.950 0.633 0.591 0.850 0.750 CB 1.515 21 residues pruned to eliminate duplicates Z: 20 24.935 2.026 0.704 0.653 0.947 0.789 CB 1.517 20 residues pruned to eliminate duplicates Z: 14 21.704 1.864 0.960 0.819 0.923 0.692 CA 1.353 14 residues pruned to eliminate duplicates Z: 18 21.544 1.974 0.695 0.655 0.941 0.706 CB 1.436 18 residues pruned to eliminate duplicates Z: 25 19.943 1.871 0.869 0.593 0.875 0.542 CB 1.218 25 residues pruned to eliminate duplicates Z: 22 22.760 2.011 0.719 0.656 0.857 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 23 24.420 1.968 0.807 0.593 0.955 0.682 CB 1.403 23 residues pruned to eliminate duplicates Z: 13 25.109 1.992 0.847 0.862 0.917 0.667 CB 1.578 13 residues pruned to eliminate duplicates Z: 22 24.537 2.012 0.811 0.625 0.952 0.667 CB 1.371 22 residues pruned to eliminate duplicates Z: 9 6.377 1.840 0.593 0.388 0.875 0.625 CB 0.990 9 residues pruned to eliminate duplicates Z: 9 6.995 1.858 0.554 0.361 0.875 0.500 CB 1.136 9 residues pruned to eliminate duplicates Z: 23 21.908 1.922 0.773 0.589 0.955 0.545 CB 1.318 23 residues pruned to eliminate duplicates Z: 24 22.158 1.921 0.818 0.587 0.913 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 7 11.295 1.968 0.679 0.519 1.000 0.833 CB 1.369 7 residues pruned to eliminate duplicates Z: 21 18.330 1.880 0.716 0.480 0.950 0.700 CB 1.364 20 residues pruned to eliminate duplicates Z: 12 13.083 1.717 0.623 0.797 0.818 0.727 CB 1.334 11 residues pruned to eliminate duplicates Z: 11 14.755 1.697 0.454 0.858 1.000 0.900 CB 1.392 12 residues pruned to eliminate duplicates Z: 11 15.323 1.756 0.456 0.823 1.000 0.900 CB 1.433 11 residues pruned to eliminate duplicates Z: 11 16.083 1.745 0.547 0.910 1.000 1.000 CB 1.336 11 residues pruned to eliminate duplicates Z: 13 9.885 1.497 0.525 0.744 0.917 0.667 N 1.096 13 residues pruned to eliminate duplicates Z: 22 12.800 1.699 0.662 0.668 0.905 0.667 CB 0.936 11 residues pruned to eliminate duplicates Z: 13 12.350 1.566 0.630 0.832 0.917 0.917 N 1.143 13 residues pruned to eliminate duplicates Z: 13 11.707 1.560 0.466 0.721 0.917 0.667 CB 1.320 13 residues pruned to eliminate duplicates Z: 12 10.631 1.699 0.493 0.776 0.909 0.545 N 1.089 12 residues pruned to eliminate duplicates Z: 13 10.039 1.593 0.222 0.834 0.917 0.750 CB 1.217 12 residues pruned to eliminate duplicates Z: 14 10.713 1.637 0.291 0.857 0.923 0.769 CB 1.122 14 residues pruned to eliminate duplicates Z: 16 10.824 1.644 0.426 0.689 0.800 0.733 CB 1.253 16 residues pruned to eliminate duplicates Z: 18 11.392 1.551 0.340 0.823 0.941 0.647 CB 1.067 18 residues pruned to eliminate duplicates Z: 15 6.396 1.544 0.422 0.500 0.786 0.357 CB 0.990 15 residues pruned to eliminate duplicates Z: 11 7.915 1.671 0.384 0.750 0.900 0.500 CB 0.962 11 residues pruned to eliminate duplicates Z: 15 7.975 1.565 0.596 0.590 0.857 0.571 CB 0.913 15 residues pruned to eliminate duplicates Z: 13 7.558 1.652 0.630 0.779 0.917 0.583 CB 0.691 13 residues pruned to eliminate duplicates Z: 16 12.455 1.708 0.585 0.794 0.933 0.800 CB 0.983 16 residues pruned to eliminate duplicates Z: 10 7.349 1.623 0.619 0.776 0.778 0.556 CB 0.939 10 residues pruned to eliminate duplicates Z: 21 15.561 1.674 0.603 0.824 0.950 0.650 CB 1.031 21 residues pruned to eliminate duplicates Z: 22 15.296 1.660 0.669 0.740 1.000 0.714 CB 0.971 22 residues pruned to eliminate duplicates Z: 19 16.251 1.717 0.715 0.841 0.944 0.722 CB 1.027 19 residues pruned to eliminate duplicates Z: 19 16.568 1.718 0.855 0.797 0.944 0.778 CB 1.000 19 residues pruned to eliminate duplicates Z: 22 16.577 1.682 0.713 0.772 1.000 0.714 CB 0.987 22 residues pruned to eliminate duplicates Z: 15 13.054 1.719 0.858 0.718 0.857 0.500 CB 1.046 15 residues pruned to eliminate duplicates Z: 19 15.139 1.665 0.728 0.711 0.944 0.778 CB 1.085 19 residues pruned to eliminate duplicates Z: 25 17.784 1.654 0.738 0.884 0.958 0.792 CB 0.951 25 residues pruned to eliminate duplicates Z: 35 16.027 1.599 0.517 0.757 1.000 0.824 CB 0.902 33 residues pruned to eliminate duplicates Z: 7 5.664 1.454 0.883 0.833 0.833 0.833 CB 0.760 7 residues pruned to eliminate duplicates Z: 7 3.325 1.362 0.624 0.712 0.833 0.333 CB 0.608 7 residues pruned to eliminate duplicates Z: 24 16.654 1.649 0.709 0.877 0.957 0.696 CB 0.936 24 residues pruned to eliminate duplicates Z: 21 13.585 1.644 0.738 0.675 0.950 0.550 CB 0.952 21 residues pruned to eliminate duplicates Z: 23 14.850 1.674 0.690 0.719 0.909 0.591 CB 1.010 23 residues pruned to eliminate duplicates Z: 17 9.332 1.579 0.610 0.434 0.938 0.438 CB 1.048 13 residues pruned to eliminate duplicates Z: 6 2.101 1.181 0.222 0.456 1.000 0.400 O 0.681 6 residues pruned to eliminate duplicates Z: 13 2.938 1.585 0.344 0.402 0.917 0.333 CB 0.482 13 residues pruned to eliminate duplicates Z: 8 4.379 1.556 0.307 0.530 1.000 0.571 CB 0.790 7 residues pruned to eliminate duplicates Z: 22 9.480 1.591 0.265 0.829 0.905 0.810 CB 0.855 22 residues pruned to eliminate duplicates Z: 8 2.227 1.393 0.691 0.321 0.429 0.286 CB 1.015 8 residues pruned to eliminate duplicates Z: 26 11.256 1.655 0.450 0.686 0.800 0.680 CB 0.989 26 residues pruned to eliminate duplicates Z: 24 13.349 1.681 0.345 0.898 0.957 0.957 CB 0.921 24 residues pruned to eliminate duplicates Z: 21 14.111 1.672 0.487 0.879 0.950 0.850 CB 0.968 21 residues pruned to eliminate duplicates Z: 22 15.278 1.703 0.472 0.911 0.952 0.857 CB 0.990 22 residues pruned to eliminate duplicates Z: 22 12.949 1.666 0.602 0.769 0.857 0.714 CB 0.973 22 residues pruned to eliminate duplicates Z: 16 15.292 1.768 0.530 0.934 1.000 1.000 CB 1.018 16 residues pruned to eliminate duplicates Z: 10 8.455 1.758 0.555 0.571 1.000 0.778 CB 0.963 10 residues pruned to eliminate duplicates Z: 23 16.149 1.687 0.448 0.932 1.000 0.818 CB 0.984 23 residues pruned to eliminate duplicates Z: 15 12.240 1.702 0.664 0.714 0.929 0.643 CB 1.024 15 residues pruned to eliminate duplicates Z: 12 8.534 1.675 0.596 0.740 0.909 0.727 CB 0.854 12 residues pruned to eliminate duplicates Z: 19 13.502 1.670 0.584 0.797 0.944 0.778 CB 0.982 19 residues pruned to eliminate duplicates Z: 20 8.564 1.664 0.591 0.532 0.737 0.526 CB 0.975 20 residues pruned to eliminate duplicates Z: 20 17.412 1.713 0.639 0.864 1.000 0.789 CB 1.043 20 residues pruned to eliminate duplicates Z: 12 8.812 1.717 0.522 0.746 1.000 0.727 CB 0.816 12 residues pruned to eliminate duplicates Z: 25 16.610 1.679 0.665 0.876 0.875 0.833 CB 1.007 25 residues pruned to eliminate duplicates Z: 25 17.049 1.705 0.579 0.894 0.958 0.792 CB 0.968 25 residues pruned to eliminate duplicates Z: 24 18.033 1.658 0.605 0.904 1.000 0.870 CB 1.006 22 residues pruned to eliminate duplicates Z: 25 15.270 1.657 0.685 0.883 0.917 0.833 CB 0.881 25 residues pruned to eliminate duplicates Z: 24 15.791 1.690 0.633 0.897 1.000 0.696 CB 0.854 24 residues pruned to eliminate duplicates Z: 23 18.079 1.708 0.621 0.947 1.000 0.909 CB 0.962 23 residues pruned to eliminate duplicates Z: 16 13.668 1.699 0.673 0.877 1.000 0.867 CB 0.902 16 residues pruned to eliminate duplicates Z: 19 17.249 1.869 0.640 0.590 1.000 0.500 CB 1.216 19 residues pruned to eliminate duplicates Z: 21 17.692 1.867 0.693 0.550 0.850 0.550 CB 1.402 22 residues pruned to eliminate duplicates Z: 13 20.522 1.744 1.011 0.737 1.000 0.667 N 1.365 13 residues pruned to eliminate duplicates Z: 20 13.814 1.854 0.664 0.503 0.842 0.474 CB 1.217 20 residues pruned to eliminate duplicates Z: 20 16.743 1.920 0.743 0.586 0.895 0.632 CB 1.182 20 residues pruned to eliminate duplicates Z: 21 12.250 1.848 0.684 0.440 0.800 0.550 CB 1.170 21 residues pruned to eliminate duplicates Z: 20 14.778 1.909 0.640 0.528 0.842 0.579 CB 1.251 20 residues pruned to eliminate duplicates Z: 26 13.635 1.780 0.550 0.458 0.800 0.520 CB 1.290 26 residues pruned to eliminate duplicates Z: 24 18.627 1.812 0.769 0.537 0.913 0.478 CB 1.280 24 residues pruned to eliminate duplicates Z: 17 15.802 1.942 0.484 0.561 0.938 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 20 15.749 1.918 0.653 0.500 0.947 0.421 CB 1.202 20 residues pruned to eliminate duplicates Z: 22 14.845 1.819 0.622 0.551 0.952 0.571 CB 1.097 22 residues pruned to eliminate duplicates Z: 11 8.115 1.685 0.589 0.473 0.900 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 15 10.186 1.712 0.607 0.418 0.857 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 19 9.576 1.827 0.584 0.443 0.889 0.444 CB 0.931 19 residues pruned to eliminate duplicates Z: 6 8.169 1.730 1.457 0.545 1.000 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 13 13.542 1.855 0.815 0.617 1.000 0.583 CB 1.040 13 residues pruned to eliminate duplicates Z: 17 10.166 1.679 0.904 0.430 0.750 0.500 CB 1.140 17 residues pruned to eliminate duplicates Z: 23 14.883 1.886 0.813 0.485 0.773 0.545 CB 1.219 23 residues pruned to eliminate duplicates Z: 10 2.364 1.506 0.074 0.308 0.778 0.444 CB 0.776 10 residues pruned to eliminate duplicates Z: 19 8.884 1.650 0.382 0.626 0.944 0.667 CB 0.863 19 residues pruned to eliminate duplicates Z: 18 6.466 1.563 0.517 0.296 0.824 0.529 CB 1.009 18 residues pruned to eliminate duplicates Z: 41 16.393 1.772 0.682 0.511 0.775 0.450 CB 1.110 41 residues pruned to eliminate duplicates Z: 38 12.941 1.768 0.722 0.398 0.811 0.378 CB 0.960 38 residues pruned to eliminate duplicates Z: 12 6.993 1.629 0.289 0.416 0.909 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 21 13.399 1.671 0.554 0.637 0.950 0.600 CB 1.069 19 residues pruned to eliminate duplicates Z: 14 12.384 1.614 0.521 0.674 1.000 0.385 N 1.191 14 residues pruned to eliminate duplicates Z: 16 16.299 1.722 0.722 0.760 0.933 0.533 CB 1.206 15 residues pruned to eliminate duplicates Z: 12 18.238 1.797 0.729 0.887 1.000 0.727 CB 1.276 16 residues pruned to eliminate duplicates Z: 12 16.886 1.737 0.610 0.900 1.000 0.636 CB 1.301 12 residues pruned to eliminate duplicates Z: 18 13.951 1.663 0.456 0.671 1.000 0.647 CB 1.193 18 residues pruned to eliminate duplicates Z: 29 14.592 1.725 0.613 0.523 0.929 0.607 CB 1.043 29 residues pruned to eliminate duplicates Z: 18 11.197 1.728 0.568 0.547 0.824 0.529 CB 1.162 16 residues pruned to eliminate duplicates Z: 13 15.416 1.736 0.618 0.812 0.917 0.667 CB 1.319 13 residues pruned to eliminate duplicates Z: 20 12.582 1.763 0.364 0.598 0.947 0.632 CB 1.154 20 residues pruned to eliminate duplicates Z: 21 11.816 1.718 0.478 0.553 0.900 0.600 CB 1.097 21 residues pruned to eliminate duplicates Z: 21 9.651 1.703 0.429 0.504 0.900 0.550 CB 0.982 21 residues pruned to eliminate duplicates Z: 19 14.452 1.624 0.419 0.687 0.944 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 17 14.828 1.630 0.627 0.843 0.938 0.625 CB 1.110 17 residues pruned to eliminate duplicates Z: 13 9.057 1.633 0.457 0.743 0.833 0.500 N 1.061 13 residues pruned to eliminate duplicates Z: 22 11.351 1.569 0.465 0.623 0.857 0.667 CB 1.120 17 residues pruned to eliminate duplicates Z: 15 14.309 1.633 0.517 0.852 1.000 0.643 CB 1.142 15 residues pruned to eliminate duplicates Z: 19 15.934 1.595 0.645 0.743 0.944 0.556 N 1.220 19 residues pruned to eliminate duplicates Z: 15 18.600 1.660 0.797 0.828 1.000 0.857 CB 1.254 15 residues pruned to eliminate duplicates Z: 16 16.723 1.671 0.794 0.782 1.000 0.667 CB 1.123 16 residues pruned to eliminate duplicates Z: 12 12.433 1.605 0.890 0.768 0.909 0.545 CB 1.072 12 residues pruned to eliminate duplicates Z: 15 19.724 1.648 0.858 0.908 1.000 0.857 CB 1.222 20 residues pruned to eliminate duplicates Z: 14 18.043 1.707 0.781 0.924 0.923 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 15 16.310 1.684 0.682 0.849 0.929 0.571 N 1.229 15 residues pruned to eliminate duplicates Z: 16 14.857 1.680 0.684 0.902 0.933 0.800 CB 1.037 16 residues pruned to eliminate duplicates Z: 7 7.893 1.779 0.417 0.885 1.000 1.000 CB 0.923 7 residues pruned to eliminate duplicates Z: 7 9.091 1.708 0.479 0.863 1.000 1.000 CB 1.077 7 residues pruned to eliminate duplicates Z: 7 10.325 1.773 0.542 0.868 1.000 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 7 11.592 1.788 0.644 0.892 1.000 0.833 CB 1.157 7 residues pruned to eliminate duplicates Z: 8 9.213 1.752 0.506 0.886 1.000 0.714 CB 0.952 8 residues pruned to eliminate duplicates Z: 7 8.008 1.794 0.454 0.867 0.833 0.833 CB 1.100 7 residues pruned to eliminate duplicates Z: 7 9.974 1.809 0.497 0.851 1.000 0.833 CB 1.113 7 residues pruned to eliminate duplicates Z: 19 15.923 1.697 0.490 0.637 0.944 0.667 CB 1.383 19 residues pruned to eliminate duplicates Z: 13 15.363 1.873 0.512 0.818 0.917 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 17 14.466 1.730 0.711 0.673 0.938 0.688 CB 1.111 14 residues pruned to eliminate duplicates Z: 11 16.408 1.788 0.585 0.852 1.000 0.900 CB 1.354 11 residues pruned to eliminate duplicates Z: 18 14.551 1.706 0.644 0.672 1.000 0.647 CB 1.074 18 residues pruned to eliminate duplicates Z: 13 19.722 1.883 0.711 0.834 1.000 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 14 14.102 1.839 0.626 0.780 0.923 0.769 CB 1.107 14 residues pruned to eliminate duplicates Z: 17 15.437 1.771 0.719 0.677 0.938 0.688 CB 1.149 19 residues pruned to eliminate duplicates Z: 11 21.220 1.903 0.668 0.895 1.000 0.900 CB 1.516 11 residues pruned to eliminate duplicates Z: 15 16.480 1.811 0.813 0.786 0.929 0.857 CB 1.123 15 residues pruned to eliminate duplicates Z: 14 20.043 1.810 0.821 0.821 1.000 0.923 CB 1.277 14 residues pruned to eliminate duplicates Z: 25 15.615 1.732 0.584 0.536 0.833 0.667 CB 1.346 16 residues pruned to eliminate duplicates Z: 18 11.775 1.629 0.475 0.621 0.882 0.529 CB 1.202 18 residues pruned to eliminate duplicates Z: 9 5.151 1.668 0.468 0.370 0.750 0.500 CB 1.140 10 residues pruned to eliminate duplicates Z: 6 3.277 1.177 0.829 0.394 0.800 0.600 CB 0.952 6 residues pruned to eliminate duplicates Z: 8 8.276 1.760 0.552 0.426 0.857 0.571 CB 1.443 8 residues pruned to eliminate duplicates Z: 14 7.451 1.586 0.305 0.505 0.923 0.615 CB 1.076 14 residues pruned to eliminate duplicates Z: 18 16.072 1.548 0.597 0.837 0.941 0.765 CB 1.253 18 residues pruned to eliminate duplicates Z: 15 15.756 1.682 0.452 0.827 0.929 0.786 CB 1.399 15 residues pruned to eliminate duplicates Z: 15 14.812 1.684 0.472 0.736 1.000 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 16 12.132 1.680 0.426 0.764 0.800 0.733 CB 1.293 16 residues pruned to eliminate duplicates Z: 15 12.835 1.681 0.446 0.743 0.857 0.857 CB 1.324 15 residues pruned to eliminate duplicates Z: 15 7.681 1.547 0.345 0.633 0.857 0.714 CB 1.016 15 residues pruned to eliminate duplicates Z: 11 12.169 1.762 0.400 0.757 0.900 0.700 CB 1.379 11 residues pruned to eliminate duplicates Z: 21 18.264 1.635 0.591 0.788 0.950 0.700 N 1.283 21 residues pruned to eliminate duplicates Z: 16 15.024 1.599 0.576 0.763 1.000 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 21 19.278 1.655 0.565 0.844 0.950 0.750 CB 1.304 21 residues pruned to eliminate duplicates Z: 20 16.601 1.568 0.656 0.793 0.895 0.526 N 1.269 20 residues pruned to eliminate duplicates Z: 17 14.707 1.666 0.603 0.769 0.875 0.750 CB 1.240 17 residues pruned to eliminate duplicates Z: 22 17.774 1.647 0.713 0.760 0.857 0.667 CB 1.273 22 residues pruned to eliminate duplicates Z: 18 15.963 1.638 0.680 0.830 0.941 0.647 CB 1.124 18 residues pruned to eliminate duplicates Z: 22 16.919 1.551 0.640 0.852 1.000 0.619 CB 1.074 22 residues pruned to eliminate duplicates Z: 15 9.417 1.625 0.740 0.795 0.857 0.357 CB 0.802 15 residues pruned to eliminate duplicates Z: 25 11.320 1.555 0.501 0.708 0.750 0.500 CB 1.093 25 residues pruned to eliminate duplicates Z: 19 12.746 1.581 0.435 0.712 0.833 0.500 CB 1.312 19 residues pruned to eliminate duplicates Z: 8 6.235 1.521 0.492 0.897 1.000 1.000 CB 0.743 8 residues pruned to eliminate duplicates Z: 18 5.977 1.450 0.400 0.493 0.882 0.647 CB 0.815 16 residues pruned to eliminate duplicates Z: 9 7.949 1.438 0.582 0.910 1.000 1.000 CB 0.876 9 residues pruned to eliminate duplicates Z: 11 5.775 1.353 0.385 0.776 1.000 0.800 CB 0.764 11 residues pruned to eliminate duplicates Z: 31 13.171 1.563 0.400 0.636 0.900 0.667 CB 1.075 30 residues pruned to eliminate duplicates Z: 10 10.591 1.580 0.442 0.900 1.000 0.889 CB 1.107 10 residues pruned to eliminate duplicates Z: 16 11.518 1.687 0.400 0.699 0.933 0.533 CB 1.125 16 residues pruned to eliminate duplicates Z: 10 9.139 1.639 0.187 0.864 1.000 0.778 CB 1.148 10 residues pruned to eliminate duplicates Z: 12 12.819 1.700 0.514 0.758 1.000 0.636 CB 1.193 12 residues pruned to eliminate duplicates Z: 8 9.798 1.793 0.403 0.842 0.857 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 25 9.219 1.557 0.445 0.422 0.875 0.500 CB 1.037 12 residues pruned to eliminate duplicates Z: 8 2.573 1.576 0.216 0.330 0.714 0.429 CB 0.857 8 residues pruned to eliminate duplicates Z: 17 10.572 1.734 0.497 0.541 0.812 0.562 CB 1.204 17 residues pruned to eliminate duplicates Z: 9 5.670 1.580 0.746 0.309 0.750 0.500 N 1.197 9 residues pruned to eliminate duplicates Z: 6 2.750 1.638 -0.012 0.399 1.000 0.600 CB 0.845 Z: 11 5.718 1.373 0.632 0.632 0.800 0.700 CB 0.891 5 residues pruned to eliminate duplicates Z: 7 3.071 1.386 0.714 0.384 0.833 0.333 N 0.716 Z: 15 23.721 1.876 0.684 0.872 1.000 0.857 CB 1.463 15 residues pruned to eliminate duplicates Z: 18 18.445 1.756 0.523 0.732 0.941 0.529 CB 1.442 16 residues pruned to eliminate duplicates Z: 15 26.956 1.863 0.905 0.859 1.000 0.643 N 1.493 15 residues pruned to eliminate duplicates Z: 20 17.154 1.715 0.549 0.705 0.947 0.474 CB 1.297 18 residues pruned to eliminate duplicates Z: 15 21.319 1.771 0.832 0.840 0.929 0.643 N 1.412 15 residues pruned to eliminate duplicates Z: 18 18.871 1.787 0.607 0.709 0.882 0.647 CB 1.493 18 residues pruned to eliminate duplicates Z: 16 24.023 1.824 0.646 0.853 1.000 0.933 CB 1.526 16 residues pruned to eliminate duplicates Z: 18 18.335 1.772 0.773 0.680 0.882 0.765 CB 1.359 18 residues pruned to eliminate duplicates Z: 16 17.573 1.801 0.592 0.771 0.867 0.733 CB 1.438 16 residues pruned to eliminate duplicates Z: 16 16.691 1.770 0.552 0.783 0.867 0.867 N 1.411 16 residues pruned to eliminate duplicates Z: 16 18.874 1.805 0.644 0.773 0.867 0.800 CB 1.489 16 residues pruned to eliminate duplicates Z: 18 17.981 1.755 0.738 0.678 0.941 0.647 CB 1.290 21 residues pruned to eliminate duplicates Z: 15 23.297 1.873 0.708 0.854 1.000 0.643 CB 1.437 16 residues pruned to eliminate duplicates Z: 15 25.883 1.879 0.826 0.885 1.000 0.714 CB 1.456 14 residues pruned to eliminate duplicates Z: 6 4.860 1.552 0.525 0.501 0.800 0.600 N 1.146 Z: 11 11.758 1.638 0.426 0.866 1.000 0.900 CB 1.165 13 residues pruned to eliminate duplicates Z: 11 10.878 1.544 0.331 0.807 1.000 0.600 O 1.280 11 residues pruned to eliminate duplicates Z: 11 10.207 1.660 0.316 0.851 0.900 0.900 CB 1.215 11 residues pruned to eliminate duplicates Z: 6 3.575 1.550 0.424 0.649 0.600 0.600 CB 1.050 6 residues pruned to eliminate duplicates Z: 15 9.354 1.446 0.501 0.714 0.857 0.786 CB 1.106 12 residues pruned to eliminate duplicates Z: 17 11.755 1.442 0.461 0.856 1.000 0.938 CB 1.028 13 residues pruned to eliminate duplicates Z: 11 12.551 1.617 0.512 0.915 1.000 1.000 CB 1.148 11 residues pruned to eliminate duplicates Z: 8 5.103 1.471 0.501 0.422 0.857 0.286 CB 1.106 8 residues pruned to eliminate duplicates Z: 12 11.349 1.571 0.652 0.836 0.909 0.636 CB 1.085 12 residues pruned to eliminate duplicates Z: 10 6.298 1.459 0.427 0.477 1.000 0.667 CB 1.031 9 residues pruned to eliminate duplicates Z: 14 12.710 1.553 0.555 0.815 0.923 0.615 CB 1.203 15 residues pruned to eliminate duplicates Z: 15 11.553 1.499 0.526 0.822 1.000 0.714 CB 1.021 14 residues pruned to eliminate duplicates Z: 15 11.216 1.533 0.645 0.784 0.857 0.643 CB 1.081 15 residues pruned to eliminate duplicates Z: 13 12.442 1.624 0.461 0.754 0.917 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 13 14.310 1.645 0.572 0.895 0.917 0.667 CB 1.250 15 residues pruned to eliminate duplicates Z: 14 11.251 1.543 0.536 0.840 0.769 0.769 CB 1.278 14 residues pruned to eliminate duplicates Z: 13 8.325 1.509 0.493 0.705 0.833 0.417 CB 1.063 12 residues pruned to eliminate duplicates Z: 13 9.775 1.445 0.680 0.851 0.917 0.583 CB 0.939 8 residues pruned to eliminate duplicates Z: 12 9.344 1.481 0.457 0.863 1.000 0.636 CB 0.959 12 residues pruned to eliminate duplicates Z: 9 8.439 1.523 0.572 0.819 1.000 0.625 CB 0.945 9 residues pruned to eliminate duplicates Z: 9 9.189 1.549 0.641 0.897 0.875 0.750 CB 1.045 9 residues pruned to eliminate duplicates Z: 9 6.923 1.533 0.321 0.863 0.875 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 6 3.986 1.469 0.340 0.638 1.000 0.800 CB 0.796 6 residues pruned to eliminate duplicates Z: 11 9.173 1.483 0.516 0.827 1.000 0.800 CB 0.972 11 residues pruned to eliminate duplicates Z: 11 6.565 1.415 0.417 0.842 0.900 0.600 CB 0.857 11 residues pruned to eliminate duplicates Z: 8 3.586 1.212 0.615 0.490 0.857 0.143 CB 0.816 7 residues pruned to eliminate duplicates Z: 6 7.280 1.573 0.407 0.767 1.000 1.000 CB 1.161 Z: 6 6.663 1.575 0.296 0.764 1.000 0.600 O 1.155 6 residues pruned to eliminate duplicates Z: 7 4.501 1.433 0.211 0.687 0.833 0.667 O 1.070 7 residues pruned to eliminate duplicates Z: 12 13.447 1.726 0.428 0.716 1.000 0.727 CB 1.353 13 residues pruned to eliminate duplicates Z: 11 12.940 1.800 0.517 0.788 0.900 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 14 12.670 1.649 0.500 0.629 1.000 0.615 N 1.259 14 residues pruned to eliminate duplicates Z: 12 13.392 1.723 0.643 0.660 1.000 0.636 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 10.029 1.615 0.349 0.824 0.900 0.700 CA 1.222 11 residues pruned to eliminate duplicates Z: 14 12.247 1.669 0.619 0.701 0.846 0.538 CB 1.237 12 residues pruned to eliminate duplicates Z: 10 13.505 1.692 0.708 0.883 0.889 0.889 N 1.267 11 residues pruned to eliminate duplicates Z: 11 12.395 1.612 0.504 0.901 1.000 0.700 CA 1.154 11 residues pruned to eliminate duplicates Z: 12 11.471 1.551 0.631 0.802 1.000 0.545 N 1.050 12 residues pruned to eliminate duplicates Z: 12 8.762 1.596 0.423 0.767 0.909 0.727 N 1.009 12 residues pruned to eliminate duplicates Z: 12 14.935 1.726 0.765 0.762 1.000 0.727 N 1.172 13 residues pruned to eliminate duplicates Z: 12 10.781 1.557 0.613 0.807 0.909 0.727 N 1.089 12 residues pruned to eliminate duplicates Z: 8 3.068 1.421 0.142 0.217 1.000 0.143 CB 0.996 6 residues pruned to eliminate duplicates Z: 6 2.542 1.368 0.111 0.805 1.000 0.800 CB 0.573 6 residues pruned to eliminate duplicates Z: 12 4.205 1.376 0.338 0.458 0.818 0.455 CB 0.878 9 residues pruned to eliminate duplicates Z: 11 11.134 1.541 0.409 0.873 1.000 0.900 CB 1.181 10 residues pruned to eliminate duplicates Z: 10 10.357 1.580 0.374 0.868 1.000 0.889 CB 1.163 9 residues pruned to eliminate duplicates Z: 10 11.462 1.571 0.320 0.913 1.000 0.889 CB 1.304 10 residues pruned to eliminate duplicates Z: 9 12.572 1.712 0.716 0.856 1.000 0.875 CB 1.115 10 residues pruned to eliminate duplicates Z: 11 12.759 1.603 0.528 0.889 1.000 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 9 11.381 1.659 0.452 0.910 1.000 1.000 CB 1.184 9 residues pruned to eliminate duplicates Z: 11 9.423 1.555 0.658 0.784 0.800 0.800 CA 1.126 11 residues pruned to eliminate duplicates Z: 13 10.422 1.520 0.761 0.641 0.833 0.667 CA 1.182 13 residues pruned to eliminate duplicates Z: 12 7.507 1.611 0.643 0.529 0.909 0.636 CB 0.914 13 residues pruned to eliminate duplicates Z: 11 11.187 1.660 0.496 0.830 0.900 0.800 CB 1.190 11 residues pruned to eliminate duplicates 8 1.976 1.689 0.194 0.481 0.714 0.571 CB 0.528 ? Z: 13 7.044 1.687 0.519 0.475 0.917 0.500 CB 0.888 8 residues pruned to eliminate duplicates Z: 6 3.583 1.657 0.706 0.192 0.800 0.400 CB 1.024 6 residues pruned to eliminate duplicates Z: 11 5.604 1.720 0.616 0.422 0.700 0.600 CB 0.987 11 residues pruned to eliminate duplicates Z: 23 17.405 1.735 0.677 0.589 0.909 0.545 CB 1.288 29 residues pruned to eliminate duplicates Z: 7 12.598 1.762 0.816 0.852 1.000 0.667 CB 1.188 7 residues pruned to eliminate duplicates Z: 32 15.619 1.754 0.658 0.515 0.968 0.516 CB 0.983 31 residues pruned to eliminate duplicates Z: 7 9.454 1.811 0.536 0.768 0.833 0.500 CB 1.313 7 residues pruned to eliminate duplicates Z: 29 16.676 1.725 0.639 0.522 0.929 0.643 CB 1.175 29 residues pruned to eliminate duplicates Z: 20 17.859 1.764 0.715 0.660 0.947 0.684 CB 1.233 20 residues pruned to eliminate duplicates Z: 21 16.418 1.751 0.590 0.567 0.950 0.600 CB 1.301 21 residues pruned to eliminate duplicates Z: 20 14.951 1.715 0.746 0.608 0.947 0.579 CB 1.091 20 residues pruned to eliminate duplicates Z: 16 18.954 1.833 0.776 0.696 0.933 0.667 CB 1.347 16 residues pruned to eliminate duplicates Z: 18 19.549 1.823 0.746 0.675 1.000 0.882 CB 1.267 18 residues pruned to eliminate duplicates Z: 14 18.671 1.784 0.876 0.739 0.923 0.846 CA 1.353 14 residues pruned to eliminate duplicates Z: 18 18.867 1.726 0.788 0.703 0.941 0.647 CB 1.309 18 residues pruned to eliminate duplicates Z: 29 16.568 1.794 0.702 0.541 0.893 0.607 CB 1.103 29 residues pruned to eliminate duplicates Z: 31 17.815 1.784 0.681 0.540 0.967 0.633 CB 1.080 31 residues pruned to eliminate duplicates Z: 12 7.351 1.815 0.468 0.374 1.000 0.455 CB 0.953 12 residues pruned to eliminate duplicates Z: 11 6.432 1.798 0.389 0.454 1.000 0.400 CB 0.853 11 residues pruned to eliminate duplicates Z: 13 4.579 1.759 0.305 0.346 0.833 0.417 CB 0.817 13 residues pruned to eliminate duplicates Z: 17 8.337 1.789 0.473 0.424 0.875 0.500 CB 0.978 17 residues pruned to eliminate duplicates Z: 12 5.594 1.699 0.879 0.351 0.818 0.545 CB 0.759 12 residues pruned to eliminate duplicates Z: 20 8.131 1.715 0.494 0.395 0.842 0.474 CB 0.967 20 residues pruned to eliminate duplicates Z: 10 5.918 1.796 0.611 0.386 1.000 0.333 CB 0.769 10 residues pruned to eliminate duplicates Z: 22 8.649 1.681 0.594 0.373 0.857 0.524 CB 0.942 22 residues pruned to eliminate duplicates Z: 14 4.001 1.605 0.262 0.220 0.923 0.385 CB 0.823 14 residues pruned to eliminate duplicates Z: 15 14.624 1.752 0.836 0.679 0.857 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 12 21.822 1.985 0.717 0.744 1.000 0.636 CB 1.552 12 residues pruned to eliminate duplicates Z: 13 20.797 1.921 0.890 0.723 0.917 0.667 CB 1.475 13 residues pruned to eliminate duplicates Z: 14 19.177 1.860 0.725 0.752 0.923 0.769 CB 1.435 14 residues pruned to eliminate duplicates Z: 13 22.339 1.963 0.840 0.747 0.917 0.750 CB 1.562 13 residues pruned to eliminate duplicates Z: 13 15.271 1.800 0.860 0.686 0.833 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 13 19.001 1.882 0.870 0.697 0.833 0.583 CB 1.562 13 residues pruned to eliminate duplicates Z: 15 18.691 1.808 0.716 0.715 0.929 0.786 CB 1.428 15 residues pruned to eliminate duplicates Z: 13 24.996 1.968 0.825 0.742 1.000 0.750 CB 1.618 13 residues pruned to eliminate duplicates Z: 14 16.645 1.855 0.579 0.725 0.923 0.615 CB 1.393 14 residues pruned to eliminate duplicates Z: 19 15.187 1.661 0.824 0.591 0.889 0.556 CB 1.218 14 residues pruned to eliminate duplicates Z: 15 13.122 1.721 0.371 0.878 1.000 0.857 CB 1.079 15 residues pruned to eliminate duplicates 6 0.928 1.330 -0.084 0.100 0.600 0.400 N 0.946 ? Z: 20 21.380 1.815 0.558 0.747 1.000 0.737 CB 1.391 20 residues pruned to eliminate duplicates Z: 29 16.722 1.771 0.310 0.659 0.929 0.750 CB 1.266 29 residues pruned to eliminate duplicates Z: 32 15.302 1.691 0.448 0.604 0.871 0.548 CB 1.167 32 residues pruned to eliminate duplicates Z: 16 15.625 1.835 0.405 0.767 0.933 0.800 CB 1.324 17 residues pruned to eliminate duplicates Z: 15 17.859 1.655 0.683 0.905 1.000 0.714 CB 1.220 15 residues pruned to eliminate duplicates Z: 24 17.193 1.828 0.537 0.663 0.913 0.565 CB 1.202 24 residues pruned to eliminate duplicates Z: 11 16.735 1.825 0.500 0.906 1.000 0.600 CB 1.375 11 residues pruned to eliminate duplicates Z: 20 11.657 1.719 0.377 0.694 0.842 0.421 CB 1.124 19 residues pruned to eliminate duplicates Z: 15 17.010 1.659 0.680 0.875 0.929 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 24 21.375 1.833 0.628 0.739 0.957 0.696 CB 1.261 24 residues pruned to eliminate duplicates Z: 15 14.813 1.799 0.691 0.727 0.857 0.429 CB 1.237 15 residues pruned to eliminate duplicates Z: 25 18.831 1.823 0.511 0.677 1.000 0.708 CB 1.186 25 residues pruned to eliminate duplicates Z: 29 11.803 1.713 0.458 0.572 0.786 0.500 CB 1.061 29 residues pruned to eliminate duplicates Z: 16 12.556 1.768 0.661 0.699 0.867 0.267 CB 1.062 16 residues pruned to eliminate duplicates Z: 20 10.146 1.693 0.585 0.454 0.789 0.474 CB 1.152 20 residues pruned to eliminate duplicates Z: 18 9.047 1.708 0.270 0.506 0.824 0.588 CB 1.221 18 residues pruned to eliminate duplicates Z: 16 10.749 1.774 0.419 0.574 0.867 0.533 CB 1.185 16 residues pruned to eliminate duplicates Z: 15 8.576 1.767 0.502 0.481 0.786 0.643 CB 1.120 15 residues pruned to eliminate duplicates Z: 23 19.870 1.858 0.466 0.743 0.955 0.773 CB 1.311 23 residues pruned to eliminate duplicates Z: 31 16.282 1.786 0.457 0.635 0.867 0.633 CB 1.161 31 residues pruned to eliminate duplicates Z: 18 9.087 1.688 0.208 0.453 0.941 0.471 CB 1.206 18 residues pruned to eliminate duplicates Z: 20 10.504 1.667 0.418 0.478 0.842 0.421 CB 1.239 20 residues pruned to eliminate duplicates Z: 30 17.847 1.771 0.488 0.673 0.897 0.690 CB 1.195 32 residues pruned to eliminate duplicates Z: 6 3.980 1.354 0.222 0.526 1.000 0.200 O 1.049 6 residues pruned to eliminate duplicates Z: 22 11.370 1.671 0.214 0.555 0.952 0.571 CB 1.217 19 residues pruned to eliminate duplicates Z: 13 8.635 1.436 0.397 0.843 1.000 0.750 CB 0.925 13 residues pruned to eliminate duplicates Z: 11 9.233 1.508 0.268 0.916 1.000 0.800 CB 1.078 11 residues pruned to eliminate duplicates Z: 9 7.295 1.546 0.342 0.837 1.000 0.875 CB 0.929 9 residues pruned to eliminate duplicates Z: 10 8.521 1.521 0.405 0.763 1.000 0.667 CB 1.052 10 residues pruned to eliminate duplicates Z: 11 8.830 1.516 0.422 0.801 1.000 0.900 CB 0.996 11 residues pruned to eliminate duplicates Z: 14 9.438 1.483 0.293 0.775 1.000 0.769 CB 1.071 12 residues pruned to eliminate duplicates Z: 11 10.720 1.464 0.615 0.904 1.000 0.900 CB 1.021 11 residues pruned to eliminate duplicates Z: 42 16.663 1.679 0.317 0.626 0.878 0.683 CB 1.191 42 residues pruned to eliminate duplicates Z: 12 8.622 1.485 0.327 0.829 1.000 0.909 CB 0.993 12 residues pruned to eliminate duplicates Z: 9 9.552 1.600 0.562 0.883 1.000 0.875 CB 0.977 9 residues pruned to eliminate duplicates Z: 11 8.491 1.573 0.445 0.720 1.000 0.800 CB 0.969 10 residues pruned to eliminate duplicates Z: 9 5.476 1.472 0.200 0.561 1.000 0.500 CB 1.033 9 residues pruned to eliminate duplicates Z: 9 5.663 1.611 0.017 0.617 1.000 0.500 CB 1.094 9 residues pruned to eliminate duplicates Z: 19 5.994 1.414 0.168 0.528 0.833 0.556 CB 0.998 23 residues pruned to eliminate duplicates Z: 8 4.867 1.398 -0.032 0.721 1.000 0.714 N 1.113 8 residues pruned to eliminate duplicates Z: 10 6.328 1.621 0.102 0.626 1.000 0.333 CB 1.048 16 residues pruned to eliminate duplicates Z: 8 4.728 1.534 0.094 0.569 0.857 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 11 7.191 1.534 0.323 0.695 0.900 0.700 CB 1.042 11 residues pruned to eliminate duplicates Z: 11 11.303 1.792 0.566 0.619 1.000 0.700 CB 1.138 11 residues pruned to eliminate duplicates Z: 15 22.147 1.952 0.802 0.717 1.000 0.714 CB 1.383 15 residues pruned to eliminate duplicates Z: 13 22.242 1.784 0.922 0.854 1.000 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 10 12.884 1.872 0.653 0.704 0.889 0.556 CB 1.297 10 residues pruned to eliminate duplicates Z: 18 15.540 1.891 0.492 0.716 0.882 0.588 CB 1.245 18 residues pruned to eliminate duplicates Z: 13 24.132 1.908 0.740 0.897 1.000 0.917 CA 1.502 13 residues pruned to eliminate duplicates Z: 16 18.667 1.911 0.596 0.722 0.933 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 15 18.726 1.940 0.587 0.748 0.929 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 29 19.186 1.834 0.624 0.533 0.893 0.643 CB 1.320 29 residues pruned to eliminate duplicates Z: 15 19.093 1.946 0.629 0.732 0.929 0.571 CB 1.407 15 residues pruned to eliminate duplicates Z: 27 21.855 1.860 0.701 0.580 0.923 0.654 CB 1.359 27 residues pruned to eliminate duplicates Z: 17 16.528 1.874 0.496 0.660 0.875 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 27 20.747 1.863 0.657 0.555 0.923 0.615 CB 1.353 27 residues pruned to eliminate duplicates Z: 27 18.756 1.832 0.610 0.578 0.962 0.692 CB 1.203 27 residues pruned to eliminate duplicates Z: 17 9.536 1.725 0.643 0.368 0.875 0.562 CB 1.107 17 residues pruned to eliminate duplicates Z: 20 10.936 1.824 0.511 0.312 0.842 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 29 16.279 1.826 0.545 0.510 0.893 0.536 CB 1.209 29 residues pruned to eliminate duplicates Z: 29 18.892 1.831 0.670 0.535 0.857 0.571 CB 1.316 62 residues pruned to eliminate duplicates Z: 7 4.381 1.421 0.420 0.363 1.000 0.833 CB 1.027 Z: 7 3.637 1.469 0.214 0.391 0.833 0.333 N 1.121 9 residues pruned to eliminate duplicates Z: 6 4.993 1.545 0.348 0.645 0.800 0.800 O 1.170 6 residues pruned to eliminate duplicates Z: 12 7.723 1.712 0.332 0.290 0.909 0.364 CB 1.422 12 residues pruned to eliminate duplicates Z: 14 6.206 1.706 0.251 0.366 0.846 0.538 CB 1.101 14 residues pruned to eliminate duplicates Z: 8 6.134 1.630 0.360 0.465 0.857 0.286 CB 1.264 8 residues pruned to eliminate duplicates Z: 6 6.801 1.641 0.491 0.560 1.000 0.200 CB 1.172 Z: 13 12.931 1.686 0.735 0.893 0.917 0.667 CB 1.000 19 residues pruned to eliminate duplicates Z: 9 8.129 1.690 0.850 0.874 0.875 0.125 CB 0.765 9 residues pruned to eliminate duplicates Z: 25 15.998 1.736 0.807 0.727 0.958 0.500 CB 0.885 25 residues pruned to eliminate duplicates Z: 25 16.095 1.736 0.839 0.644 0.917 0.458 CB 0.981 25 residues pruned to eliminate duplicates Z: 22 18.689 1.777 0.846 0.706 1.000 0.571 CB 1.031 22 residues pruned to eliminate duplicates Z: 11 8.632 1.800 0.797 0.635 0.900 0.400 CB 0.826 11 residues pruned to eliminate duplicates Z: 25 12.864 1.756 0.857 0.390 0.875 0.583 CB 1.034 32 residues pruned to eliminate duplicates Z: 12 5.986 1.486 0.794 0.577 0.818 0.636 CB 0.768 12 residues pruned to eliminate duplicates Z: 11 11.502 1.733 0.916 0.673 1.000 0.700 CB 0.934 11 residues pruned to eliminate duplicates Z: 20 11.790 1.792 1.129 0.537 0.895 0.474 CB 0.764 20 residues pruned to eliminate duplicates Z: 21 11.693 1.727 0.962 0.512 0.850 0.350 CB 0.897 21 residues pruned to eliminate duplicates Z: 17 12.780 1.806 1.083 0.464 0.875 0.500 CB 1.006 17 residues pruned to eliminate duplicates Z: 16 13.429 1.822 1.045 0.603 0.933 0.600 CB 0.904 16 residues pruned to eliminate duplicates Z: 16 14.601 1.862 1.120 0.570 0.933 0.333 CB 0.957 16 residues pruned to eliminate duplicates Z: 20 12.516 1.754 1.134 0.584 0.842 0.526 CB 0.840 20 residues pruned to eliminate duplicates Z: 17 13.503 1.784 1.191 0.543 0.875 0.625 CB 0.947 17 residues pruned to eliminate duplicates Z: 18 14.204 1.830 0.941 0.612 0.941 0.529 CB 0.927 18 residues pruned to eliminate duplicates Z: 18 14.766 1.837 1.015 0.594 0.941 0.353 CB 0.940 18 residues pruned to eliminate duplicates Z: 14 8.864 1.841 0.836 0.462 0.923 0.308 CB 0.819 14 residues pruned to eliminate duplicates Z: 15 15.890 1.848 1.113 0.591 0.929 0.571 CB 1.074 15 residues pruned to eliminate duplicates Z: 16 16.038 1.844 0.933 0.588 0.933 0.467 CB 1.145 16 residues pruned to eliminate duplicates Z: 16 15.679 1.894 0.287 0.831 1.000 0.733 CB 1.248 17 residues pruned to eliminate duplicates Z: 16 15.858 1.790 0.351 0.850 1.000 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 15 15.042 1.873 0.282 0.918 1.000 0.929 CB 1.181 15 residues pruned to eliminate duplicates Z: 24 11.483 1.730 0.405 0.524 0.826 0.609 CB 1.165 24 residues pruned to eliminate duplicates Z: 32 11.928 1.645 0.560 0.524 0.742 0.387 CB 1.099 30 residues pruned to eliminate duplicates Z: 14 18.270 1.911 0.400 0.933 1.000 0.923 CB 1.322 14 residues pruned to eliminate duplicates Z: 17 16.273 1.817 0.491 0.788 0.938 0.875 CB 1.243 17 residues pruned to eliminate duplicates Z: 44 17.858 1.712 0.509 0.540 0.907 0.674 CB 1.118 44 residues pruned to eliminate duplicates Z: 17 14.220 1.794 0.586 0.732 0.938 0.750 CB 1.082 17 residues pruned to eliminate duplicates Z: 17 15.186 1.836 0.636 0.793 0.938 0.688 CB 1.042 17 residues pruned to eliminate duplicates Z: 18 16.008 1.777 0.759 0.786 0.882 0.706 CB 1.094 18 residues pruned to eliminate duplicates Z: 19 12.994 1.665 0.772 0.622 0.889 0.556 CB 1.041 15 residues pruned to eliminate duplicates Z: 16 21.359 1.709 0.911 0.931 1.000 0.800 CB 1.181 16 residues pruned to eliminate duplicates Z: 24 14.687 1.762 0.687 0.594 0.870 0.609 CB 1.083 24 residues pruned to eliminate duplicates Z: 19 14.970 1.798 0.806 0.683 0.889 0.444 CB 1.033 19 residues pruned to eliminate duplicates Z: 25 12.473 1.728 0.686 0.538 0.875 0.625 CB 0.962 25 residues pruned to eliminate duplicates Z: 7 8.152 1.652 0.746 0.600 1.000 0.833 CB 1.049 7 residues pruned to eliminate duplicates Z: 8 8.309 1.720 0.632 0.551 0.857 0.571 CB 1.242 8 residues pruned to eliminate duplicates Z: 25 12.033 1.758 0.549 0.561 0.792 0.583 CB 1.074 25 residues pruned to eliminate duplicates Z: 26 15.722 1.772 0.742 0.642 0.840 0.560 CB 1.062 26 residues pruned to eliminate duplicates Z: 15 11.782 1.613 0.236 0.782 1.000 0.571 CB 1.232 14 residues pruned to eliminate duplicates Z: 13 12.437 1.613 0.222 0.835 1.000 0.833 CB 1.364 13 residues pruned to eliminate duplicates Z: 13 11.465 1.644 0.134 0.805 1.000 0.667 N 1.361 13 residues pruned to eliminate duplicates Z: 13 9.518 1.579 0.227 0.724 0.917 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 15 12.376 1.608 0.215 0.813 0.929 0.714 CB 1.389 15 residues pruned to eliminate duplicates Z: 13 11.667 1.564 0.279 0.818 0.917 0.667 O 1.394 13 residues pruned to eliminate duplicates Z: 19 9.110 1.534 0.499 0.594 0.778 0.611 CB 1.098 19 residues pruned to eliminate duplicates Z: 14 9.673 1.556 0.319 0.704 0.923 0.769 CB 1.176 14 residues pruned to eliminate duplicates Z: 13 8.747 1.503 0.139 0.766 0.917 0.917 N 1.270 13 residues pruned to eliminate duplicates Z: 13 11.373 1.641 0.252 0.749 0.917 0.750 N 1.396 13 residues pruned to eliminate duplicates Z: 15 11.127 1.589 0.277 0.733 0.929 0.714 N 1.280 15 residues pruned to eliminate duplicates Z: 15 13.729 1.611 0.339 0.843 0.929 0.786 O 1.364 15 residues pruned to eliminate duplicates Z: 9 8.332 1.614 0.456 0.733 1.000 0.625 CB 1.017 9 residues pruned to eliminate duplicates Z: 10 6.204 1.604 0.261 0.634 0.889 0.556 CB 1.014 10 residues pruned to eliminate duplicates Z: 11 8.247 1.584 0.250 0.616 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 9 8.111 1.609 0.391 0.676 0.875 0.875 CB 1.245 9 residues pruned to eliminate duplicates Z: 13 6.097 1.413 0.253 0.644 0.833 0.667 CB 1.043 13 residues pruned to eliminate duplicates Z: 11 8.153 1.519 0.686 0.603 0.800 0.700 CB 1.141 8 residues pruned to eliminate duplicates Z: 10 11.509 1.588 0.502 0.883 1.000 0.778 CB 1.163 10 residues pruned to eliminate duplicates Z: 11 12.140 1.536 0.532 0.834 1.000 0.900 CB 1.223 11 residues pruned to eliminate duplicates Z: 12 8.219 1.478 0.354 0.724 0.909 0.727 CB 1.113 12 residues pruned to eliminate duplicates Z: 13 12.818 1.711 0.518 0.642 0.917 0.583 CA 1.361 13 residues pruned to eliminate duplicates Z: 9 10.096 1.690 0.534 0.630 0.875 0.500 CB 1.393 11 residues pruned to eliminate duplicates Z: 9 8.479 1.610 0.340 0.529 1.000 0.625 CB 1.351 9 residues pruned to eliminate duplicates Z: 11 8.581 1.773 0.656 0.428 0.700 0.200 CA 1.423 11 residues pruned to eliminate duplicates Z: 13 11.739 1.724 0.936 0.485 0.833 0.333 CB 1.237 12 residues pruned to eliminate duplicates Z: 6 5.782 1.679 0.807 0.439 0.800 0.000 CA 1.135 Z: 13 12.604 1.808 0.445 0.857 0.917 0.750 CB 1.119 13 residues pruned to eliminate duplicates Z: 14 9.835 1.747 0.538 0.650 0.923 0.538 CB 0.957 14 residues pruned to eliminate duplicates Z: 10 14.914 1.864 0.799 0.908 1.000 0.889 CB 1.053 10 residues pruned to eliminate duplicates Z: 11 13.998 1.929 0.693 0.801 0.900 0.800 CB 1.157 11 residues pruned to eliminate duplicates Z: 13 16.015 1.818 0.653 0.854 1.000 0.833 CB 1.137 13 residues pruned to eliminate duplicates Z: 11 18.148 1.821 0.844 0.917 1.000 0.800 CB 1.206 14 residues pruned to eliminate duplicates Z: 10 14.589 1.865 1.009 0.889 1.000 0.778 CB 0.934 10 residues pruned to eliminate duplicates Z: 16 12.611 1.730 0.851 0.833 0.867 0.733 CB 0.881 16 residues pruned to eliminate duplicates Z: 14 14.485 1.749 0.797 0.801 0.923 0.846 CB 1.064 14 residues pruned to eliminate duplicates Z: 23 13.211 1.623 0.751 0.718 0.864 0.636 CB 0.942 17 residues pruned to eliminate duplicates Z: 16 12.267 1.688 0.835 0.862 0.867 0.733 CB 0.867 16 residues pruned to eliminate duplicates Z: 17 14.637 1.708 0.963 0.764 0.875 0.688 CB 0.986 17 residues pruned to eliminate duplicates Z: 21 13.607 1.692 0.934 0.680 0.950 0.700 CB 0.830 23 residues pruned to eliminate duplicates Z: 18 17.961 1.719 0.865 0.898 0.941 0.706 CB 1.033 18 residues pruned to eliminate duplicates Z: 11 6.356 1.581 0.714 0.519 0.800 0.600 CB 0.910 12 residues pruned to eliminate duplicates Z: 18 14.673 1.703 0.836 0.865 0.941 0.588 CB 0.886 18 residues pruned to eliminate duplicates Z: 21 14.531 1.677 0.984 0.750 0.950 0.800 CB 0.822 21 residues pruned to eliminate duplicates Z: 11 7.989 1.522 0.898 0.579 1.000 0.700 CB 0.811 9 residues pruned to eliminate duplicates Z: 8 4.994 1.539 0.586 0.372 0.857 0.286 CB 1.035 8 residues pruned to eliminate duplicates Z: 22 20.261 1.952 0.622 0.551 0.952 0.619 CB 1.395 30 residues pruned to eliminate duplicates Z: 12 15.306 1.884 0.484 0.736 1.000 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 29 16.732 1.824 0.556 0.471 0.857 0.500 CB 1.338 29 residues pruned to eliminate duplicates Z: 31 14.065 1.771 0.657 0.415 0.833 0.400 CB 1.148 31 residues pruned to eliminate duplicates Z: 20 17.503 1.954 0.515 0.535 0.947 0.737 CB 1.383 20 residues pruned to eliminate duplicates Z: 21 14.289 1.933 0.444 0.475 0.900 0.600 CB 1.306 21 residues pruned to eliminate duplicates Z: 20 20.758 1.994 0.545 0.613 1.000 0.737 CB 1.389 20 residues pruned to eliminate duplicates Z: 24 15.850 1.887 0.514 0.532 0.870 0.565 CB 1.289 24 residues pruned to eliminate duplicates Z: 20 17.385 1.922 0.480 0.552 0.947 0.632 CB 1.407 20 residues pruned to eliminate duplicates Z: 17 14.400 1.955 0.775 0.479 0.812 0.500 CB 1.304 17 residues pruned to eliminate duplicates Z: 25 14.876 1.932 0.584 0.450 0.833 0.458 CB 1.253 25 residues pruned to eliminate duplicates Z: 21 17.766 1.981 0.587 0.533 0.900 0.600 CB 1.360 21 residues pruned to eliminate duplicates Z: 40 22.165 1.867 0.617 0.529 0.872 0.564 CB 1.311 40 residues pruned to eliminate duplicates Z: 24 15.775 1.917 0.481 0.450 0.870 0.435 CB 1.402 24 residues pruned to eliminate duplicates Z: 25 16.321 1.914 0.568 0.473 0.875 0.625 CB 1.303 25 residues pruned to eliminate duplicates Z: 12 10.197 1.898 0.499 0.470 1.000 0.727 CB 1.115 12 residues pruned to eliminate duplicates Z: 22 18.358 1.928 0.602 0.542 0.905 0.571 CB 1.376 22 residues pruned to eliminate duplicates Z: 12 4.197 1.775 0.469 0.237 0.636 0.273 CB 1.035 12 residues pruned to eliminate duplicates Z: 41 23.119 1.898 0.627 0.517 0.900 0.550 CB 1.293 41 residues pruned to eliminate duplicates Z: 41 19.817 1.830 0.603 0.440 0.925 0.600 CB 1.229 41 residues pruned to eliminate duplicates Z: 11 5.987 1.652 0.629 0.298 0.900 0.500 CB 0.980 11 residues pruned to eliminate duplicates Z: 22 16.475 1.807 0.705 0.537 0.905 0.429 CB 1.244 22 residues pruned to eliminate duplicates Z: 15 13.147 1.780 0.659 0.617 0.929 0.786 CB 1.147 15 residues pruned to eliminate duplicates Z: 17 13.607 1.825 0.675 0.618 0.812 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 36 17.235 1.871 0.571 0.447 0.829 0.514 CB 1.263 36 residues pruned to eliminate duplicates Z: 26 21.111 1.899 0.651 0.557 0.960 0.640 CB 1.327 26 residues pruned to eliminate duplicates Z: 17 11.544 1.873 0.452 0.618 0.750 0.562 CB 1.265 17 residues pruned to eliminate duplicates Z: 18 16.007 1.810 0.701 0.568 0.941 0.588 CB 1.255 18 residues pruned to eliminate duplicates Z: 16 14.652 1.853 0.670 0.622 0.933 0.733 CB 1.167 16 residues pruned to eliminate duplicates Z: 29 23.383 1.904 0.683 0.578 0.964 0.714 CB 1.327 29 residues pruned to eliminate duplicates Z: 34 19.218 1.886 0.555 0.473 0.939 0.667 CB 1.248 34 residues pruned to eliminate duplicates Z: 36 19.130 1.861 0.613 0.454 0.886 0.600 CB 1.275 36 residues pruned to eliminate duplicates Z: 26 26.161 1.919 0.750 0.643 1.000 0.800 CB 1.363 26 residues pruned to eliminate duplicates Z: 42 20.267 1.813 0.613 0.472 0.902 0.610 CB 1.234 42 residues pruned to eliminate duplicates Z: 26 19.924 1.878 0.521 0.599 0.960 0.840 CB 1.322 26 residues pruned to eliminate duplicates Z: 39 21.977 1.821 0.490 0.514 0.947 0.711 CB 1.367 39 residues pruned to eliminate duplicates Z: 25 18.087 1.886 0.275 0.604 1.000 0.667 CB 1.391 25 residues pruned to eliminate duplicates Z: 35 18.639 1.877 0.439 0.455 0.941 0.706 CB 1.316 35 residues pruned to eliminate duplicates Z: 49 17.027 1.779 0.310 0.477 0.917 0.646 CB 1.177 49 residues pruned to eliminate duplicates Z: 26 21.178 1.903 0.592 0.629 0.960 0.880 CB 1.291 26 residues pruned to eliminate duplicates Z: 27 22.789 1.870 0.621 0.623 0.962 0.808 CB 1.365 27 residues pruned to eliminate duplicates Z: 37 18.809 1.878 0.487 0.458 0.944 0.694 CB 1.239 37 residues pruned to eliminate duplicates Z: 36 19.360 1.869 0.593 0.491 0.886 0.657 CB 1.252 36 residues pruned to eliminate duplicates Z: 25 10.938 1.772 0.351 0.335 0.917 0.458 CB 1.219 25 residues pruned to eliminate duplicates Z: 17 6.233 1.819 0.307 0.240 0.750 0.250 CB 1.181 17 residues pruned to eliminate duplicates Z: 13 7.635 1.863 0.528 0.231 0.833 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 9 2.997 1.681 0.334 0.366 0.625 0.250 CB 0.872 9 residues pruned to eliminate duplicates Z: 19 5.192 1.765 0.502 0.163 0.722 0.278 CB 0.964 19 residues pruned to eliminate duplicates Z: 16 4.469 1.861 0.276 0.157 0.667 0.333 CB 1.109 16 residues pruned to eliminate duplicates Z: 15 4.176 1.854 0.379 0.143 0.571 0.286 CB 1.187 15 residues pruned to eliminate duplicates Z: 14 6.868 1.653 0.399 0.215 0.923 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 21 9.020 1.735 0.372 0.300 0.900 0.450 CB 1.177 21 residues pruned to eliminate duplicates Z: 11 3.796 1.832 0.225 0.145 0.700 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 19 5.937 1.783 0.451 0.152 0.778 0.389 CB 1.067 19 residues pruned to eliminate duplicates Z: 12 5.656 1.646 0.349 0.275 1.000 0.455 CB 0.992 12 residues pruned to eliminate duplicates Z: 19 5.275 1.544 0.487 0.250 0.667 0.278 CB 1.083 19 residues pruned to eliminate duplicates Z: 18 8.667 1.657 0.455 0.299 0.941 0.588 CB 1.159 18 residues pruned to eliminate duplicates Z: 22 8.554 1.610 0.433 0.306 0.905 0.524 CB 1.109 22 residues pruned to eliminate duplicates Z: 14 8.809 1.636 0.359 0.403 1.000 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 16 8.296 1.597 0.496 0.321 0.933 0.533 N 1.171 16 residues pruned to eliminate duplicates Z: 8 5.473 1.538 0.459 0.531 0.857 0.857 N 1.043 8 residues pruned to eliminate duplicates Z: 15 6.976 1.614 0.416 0.348 0.929 0.571 CB 1.036 15 residues pruned to eliminate duplicates Z: 8 6.342 1.549 0.601 0.383 1.000 0.857 N 1.095 8 residues pruned to eliminate duplicates Z: 13 6.042 1.704 0.120 0.714 0.833 0.667 CB 0.903 13 residues pruned to eliminate duplicates Z: 12 5.866 1.727 -0.032 0.609 1.000 0.727 CB 0.954 12 residues pruned to eliminate duplicates Z: 12 5.326 1.679 0.008 0.445 1.000 0.727 CB 1.005 12 residues pruned to eliminate duplicates Z: 14 7.802 1.721 0.224 0.514 0.923 0.538 CB 1.098 14 residues pruned to eliminate duplicates Z: 17 12.809 1.753 0.292 0.739 1.000 0.875 CB 1.141 17 residues pruned to eliminate duplicates Z: 16 12.666 1.769 0.435 0.726 0.933 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 19 13.003 1.676 0.581 0.637 1.000 0.556 CB 1.017 19 residues pruned to eliminate duplicates Z: 11 8.717 1.657 0.722 0.703 0.900 0.400 CB 0.893 11 residues pruned to eliminate duplicates Z: 18 14.876 1.799 0.420 0.758 0.941 0.588 CB 1.193 18 residues pruned to eliminate duplicates Z: 16 17.121 1.791 0.648 0.798 0.933 0.533 CB 1.237 16 residues pruned to eliminate duplicates Z: 17 11.549 1.725 0.610 0.726 0.812 0.375 CB 1.043 17 residues pruned to eliminate duplicates Z: 18 13.957 1.773 0.402 0.675 0.941 0.588 CB 1.231 18 residues pruned to eliminate duplicates Z: 15 14.448 1.779 0.669 0.836 0.857 0.571 CB 1.135 15 residues pruned to eliminate duplicates Z: 25 13.044 1.789 0.601 0.633 0.875 0.417 CB 0.938 25 residues pruned to eliminate duplicates Z: 27 14.059 1.736 0.782 0.593 0.923 0.269 CB 0.883 27 residues pruned to eliminate duplicates Z: 27 14.261 1.726 0.671 0.612 0.885 0.654 CB 0.985 27 residues pruned to eliminate duplicates Z: 28 12.818 1.758 0.549 0.640 0.815 0.556 CB 0.975 28 residues pruned to eliminate duplicates Z: 10 8.865 1.966 0.430 0.613 0.889 0.667 CB 1.062 10 residues pruned to eliminate duplicates Z: 10 6.166 1.948 0.460 0.598 0.667 0.333 CB 0.988 10 residues pruned to eliminate duplicates Z: 11 9.328 1.942 0.307 0.574 0.900 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 9 7.364 1.953 0.268 0.536 0.875 0.375 CB 1.160 9 residues pruned to eliminate duplicates Z: 14 7.790 1.859 0.194 0.503 0.846 0.385 CB 1.147 14 residues pruned to eliminate duplicates Z: 12 7.218 1.871 0.240 0.559 0.818 0.545 CB 1.083 12 residues pruned to eliminate duplicates Z: 18 6.091 1.763 0.239 0.362 0.765 0.353 CB 1.026 18 residues pruned to eliminate duplicates Z: 10 6.900 1.911 0.464 0.482 0.778 0.444 CB 1.076 10 residues pruned to eliminate duplicates Z: 25 15.674 1.897 0.451 0.493 0.875 0.583 CB 1.337 25 residues pruned to eliminate duplicates Z: 7 7.683 1.846 0.067 0.816 1.000 0.833 CB 1.210 7 residues pruned to eliminate duplicates Z: 36 15.017 1.775 0.357 0.645 0.857 0.514 CB 1.074 53 residues pruned to eliminate duplicates Z: 13 7.042 1.539 0.621 0.651 0.833 0.833 CB 0.849 12 residues pruned to eliminate duplicates Z: 7 5.167 1.514 0.508 0.805 0.833 0.500 CB 0.849 Z: 6 4.138 1.544 0.581 0.849 1.000 1.000 CB 0.562 6 residues pruned to eliminate duplicates Z: 9 5.954 1.509 0.502 0.624 1.000 0.625 CB 0.826 7 residues pruned to eliminate duplicates 6 1.964 1.498 0.527 0.720 0.800 0.600 CB 0.394 ? Z: 9 6.553 1.420 0.808 0.821 0.875 0.625 CB 0.781 17 residues pruned to eliminate duplicates Z: 9 8.824 1.514 0.903 0.856 1.000 0.750 CB 0.798 9 residues pruned to eliminate duplicates Z: 7 7.964 1.558 0.855 0.863 1.000 0.667 CB 0.825 7 residues pruned to eliminate duplicates Z: 9 4.774 1.444 0.515 0.546 0.750 0.625 CB 0.983 9 residues pruned to eliminate duplicates Z: 8 5.088 1.573 0.430 0.600 0.857 0.286 CB 0.907 8 residues pruned to eliminate duplicates Z: 14 9.561 1.512 0.267 0.855 1.000 0.923 CB 1.022 14 residues pruned to eliminate duplicates Z: 13 12.377 1.584 0.494 0.833 1.000 0.500 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 11.404 1.514 0.613 0.750 1.000 0.750 CB 1.078 13 residues pruned to eliminate duplicates Z: 16 11.340 1.570 0.542 0.790 0.867 0.533 CB 1.082 16 residues pruned to eliminate duplicates Z: 19 10.505 1.432 0.563 0.531 1.000 0.556 N 1.073 19 residues pruned to eliminate duplicates Z: 15 10.733 1.507 0.662 0.708 0.929 0.786 CB 1.021 15 residues pruned to eliminate duplicates Z: 15 11.940 1.471 0.740 0.654 1.000 0.571 CB 1.081 15 residues pruned to eliminate duplicates Z: 14 12.530 1.569 0.652 0.769 1.000 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 15 11.193 1.522 0.681 0.705 0.929 0.714 CB 1.045 14 residues pruned to eliminate duplicates Z: 16 13.736 1.456 0.599 0.887 1.000 0.667 CB 1.099 17 residues pruned to eliminate duplicates Z: 13 11.233 1.534 0.587 0.830 1.000 0.750 CB 1.001 13 residues pruned to eliminate duplicates Z: 12 10.881 1.559 0.847 0.795 0.909 0.364 CB 0.968 12 residues pruned to eliminate duplicates Z: 11 8.017 1.477 0.725 0.717 0.800 0.300 CB 1.022 11 residues pruned to eliminate duplicates Z: 23 10.209 1.526 0.571 0.597 0.818 0.591 CB 1.011 23 residues pruned to eliminate duplicates Z: 7 5.786 1.545 0.290 0.629 1.000 0.833 CB 1.050 8 residues pruned to eliminate duplicates Z: 18 10.450 1.479 0.512 0.715 0.882 0.647 CB 1.057 18 residues pruned to eliminate duplicates Z: 8 6.064 1.615 0.248 0.617 1.000 0.857 CB 1.018 9 residues pruned to eliminate duplicates Z: 6 2.736 1.556 0.230 0.402 1.000 0.400 CB 0.709 6 residues pruned to eliminate duplicates Z: 7 7.134 1.552 0.602 0.515 1.000 0.833 N 1.154 7 residues pruned to eliminate duplicates Z: 11 13.950 1.903 0.469 0.696 0.900 0.800 CA 1.465 11 residues pruned to eliminate duplicates Z: 18 14.290 1.729 0.596 0.539 0.941 0.588 CB 1.284 15 residues pruned to eliminate duplicates Z: 12 16.072 1.803 0.571 0.898 1.000 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 16 16.375 1.881 0.476 0.674 1.000 0.733 CB 1.297 16 residues pruned to eliminate duplicates Z: 15 15.464 1.863 0.691 0.621 0.929 0.643 CB 1.260 18 residues pruned to eliminate duplicates Z: 13 13.993 1.718 0.747 0.822 0.917 0.833 CB 1.110 13 residues pruned to eliminate duplicates Z: 29 15.236 1.718 0.837 0.449 0.821 0.536 CB 1.170 28 residues pruned to eliminate duplicates Z: 11 15.362 1.889 0.498 0.887 1.000 0.800 CB 1.238 11 residues pruned to eliminate duplicates Z: 19 13.610 1.802 0.621 0.579 0.889 0.667 CB 1.145 19 residues pruned to eliminate duplicates Z: 21 16.278 1.840 0.862 0.594 0.900 0.600 CB 1.079 22 residues pruned to eliminate duplicates Z: 11 18.063 1.907 0.712 0.781 1.000 0.800 CB 1.365 11 residues pruned to eliminate duplicates Z: 21 16.628 1.858 0.828 0.534 1.000 0.700 CB 1.058 21 residues pruned to eliminate duplicates Z: 7 2.631 1.673 0.804 0.403 0.833 0.667 CB 0.473 7 residues pruned to eliminate duplicates Z: 25 14.717 1.780 0.682 0.476 0.875 0.667 CB 1.174 28 residues pruned to eliminate duplicates 6 1.540 1.055 0.467 0.351 0.800 0.200 CB 0.654 ? Z: 17 14.231 1.589 0.392 0.919 1.000 0.812 CB 1.133 17 residues pruned to eliminate duplicates Z: 17 15.477 1.610 0.529 0.929 0.938 0.875 CB 1.173 17 residues pruned to eliminate duplicates Z: 7 6.298 1.603 0.620 0.706 0.667 0.667 N 1.231 7 residues pruned to eliminate duplicates Z: 11 8.978 1.659 0.455 0.710 0.800 0.600 N 1.216 11 residues pruned to eliminate duplicates Z: 12 11.526 1.647 0.835 0.652 0.818 0.455 CB 1.219 12 residues pruned to eliminate duplicates Z: 12 10.356 1.617 0.663 0.745 0.818 0.636 CB 1.140 12 residues pruned to eliminate duplicates Z: 12 12.416 1.639 0.781 0.835 0.818 0.727 CB 1.175 11 residues pruned to eliminate duplicates Z: 19 16.973 1.591 0.653 0.869 1.000 0.778 CB 1.111 20 residues pruned to eliminate duplicates Z: 25 16.492 1.565 0.652 0.875 0.958 0.625 CB 0.989 25 residues pruned to eliminate duplicates Z: 23 12.582 1.508 0.644 0.697 0.864 0.727 N 1.047 23 residues pruned to eliminate duplicates Z: 20 14.251 1.558 0.638 0.821 0.895 0.632 CB 1.084 20 residues pruned to eliminate duplicates Z: 24 14.945 1.540 0.735 0.730 0.957 0.739 CB 0.991 24 residues pruned to eliminate duplicates Z: 6 4.574 1.382 0.841 0.676 0.800 0.800 O 0.855 6 residues pruned to eliminate duplicates Z: 20 8.852 1.486 0.608 0.522 0.789 0.474 CB 1.053 20 residues pruned to eliminate duplicates Z: 12 6.477 1.440 0.416 0.773 1.000 0.818 CB 0.752 12 residues pruned to eliminate duplicates Z: 22 14.576 1.614 0.592 0.824 0.905 0.905 CB 1.033 22 residues pruned to eliminate duplicates Z: 6 4.311 1.606 0.077 0.856 1.000 1.000 CB 0.821 6 residues pruned to eliminate duplicates Z: 13 9.048 1.561 0.422 0.826 0.917 0.833 CB 0.968 13 residues pruned to eliminate duplicates Z: 16 9.884 1.499 0.705 0.886 0.867 0.533 CB 0.831 16 residues pruned to eliminate duplicates Z: 13 7.593 1.557 0.438 0.641 0.917 0.750 CB 0.936 13 residues pruned to eliminate duplicates Z: 13 10.133 1.496 0.451 0.910 1.000 0.833 CB 0.956 13 residues pruned to eliminate duplicates Z: 11 7.689 1.528 0.228 0.793 1.000 0.500 CB 1.002 11 residues pruned to eliminate duplicates Z: 11 10.671 1.698 0.375 0.711 0.900 0.600 CB 1.325 13 residues pruned to eliminate duplicates Z: 7 8.970 1.739 0.233 0.859 1.000 0.833 CB 1.256 7 residues pruned to eliminate duplicates Z: 12 8.639 1.648 0.329 0.666 0.727 0.545 N 1.402 12 residues pruned to eliminate duplicates Z: 13 9.181 1.541 0.360 0.719 0.917 0.667 CB 1.132 13 residues pruned to eliminate duplicates Z: 14 8.938 1.502 0.678 0.654 0.846 0.538 CB 1.007 14 residues pruned to eliminate duplicates Z: 29 11.675 1.518 0.402 0.515 0.857 0.643 CB 1.193 29 residues pruned to eliminate duplicates Z: 19 11.339 1.628 0.486 0.625 0.778 0.778 CB 1.263 19 residues pruned to eliminate duplicates Z: 30 18.608 1.734 0.688 0.634 0.931 0.655 CB 1.118 31 residues pruned to eliminate duplicates Z: 11 9.682 1.667 0.149 0.809 0.900 0.700 CB 1.357 11 residues pruned to eliminate duplicates Z: 33 16.869 1.663 0.516 0.634 0.875 0.625 CB 1.193 33 residues pruned to eliminate duplicates Z: 23 11.671 1.657 0.367 0.473 0.909 0.636 CB 1.242 23 residues pruned to eliminate duplicates Z: 32 18.410 1.693 0.578 0.644 0.935 0.645 CB 1.157 30 residues pruned to eliminate duplicates Z: 13 14.176 1.833 0.326 0.752 0.917 0.750 O 1.466 13 residues pruned to eliminate duplicates Z: 15 17.142 1.866 0.698 0.647 0.857 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 17 16.038 1.855 0.547 0.685 0.938 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 15 15.220 1.840 0.562 0.717 0.929 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 17 19.425 1.854 0.757 0.684 0.938 0.812 CB 1.343 17 residues pruned to eliminate duplicates Z: 17 18.451 1.852 0.694 0.673 0.938 0.688 CB 1.337 17 residues pruned to eliminate duplicates Z: 14 18.353 1.892 0.770 0.731 0.846 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 17 21.910 1.862 0.812 0.692 1.000 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 22 17.396 1.784 0.630 0.613 0.857 0.571 CB 1.368 18 residues pruned to eliminate duplicates Z: 12 26.756 1.960 0.818 0.858 1.000 0.545 N 1.668 12 residues pruned to eliminate duplicates Z: 16 19.662 1.898 0.759 0.669 0.867 0.533 CB 1.501 16 residues pruned to eliminate duplicates Z: 6 3.705 1.608 0.480 0.364 0.600 0.200 CA 1.343 Z: 8 3.788 1.457 0.277 0.378 0.857 0.429 CB 1.022 3 residues pruned to eliminate duplicates Z: 7 16.351 1.836 1.100 0.702 1.000 0.667 N 1.440 9 residues pruned to eliminate duplicates Z: 8 12.887 1.691 0.892 0.594 1.000 0.571 CB 1.392 8 residues pruned to eliminate duplicates Z: 15 10.581 1.650 0.717 0.386 0.786 0.429 N 1.434 13 residues pruned to eliminate duplicates Z: 9 11.680 1.561 0.919 0.893 0.875 0.625 CA 1.131 9 residues pruned to eliminate duplicates Z: 21 16.151 1.762 0.769 0.577 0.850 0.650 CB 1.266 21 residues pruned to eliminate duplicates Z: 10 11.864 1.684 0.695 0.837 0.778 0.778 CB 1.332 10 residues pruned to eliminate duplicates Z: 24 17.238 1.697 0.667 0.534 0.913 0.696 CB 1.345 24 residues pruned to eliminate duplicates Z: 10 19.185 1.728 0.989 0.871 1.000 0.667 CA 1.358 10 residues pruned to eliminate duplicates Z: 21 17.942 1.763 0.795 0.575 0.850 0.600 CB 1.387 21 residues pruned to eliminate duplicates Z: 25 16.099 1.694 0.651 0.512 0.833 0.542 N 1.392 25 residues pruned to eliminate duplicates Z: 20 17.941 1.817 0.679 0.558 0.895 0.632 CB 1.425 20 residues pruned to eliminate duplicates Z: 12 7.270 1.565 0.625 0.407 0.909 0.545 CB 1.045 12 residues pruned to eliminate duplicates Z: 20 19.293 1.804 0.615 0.576 1.000 0.579 CB 1.413 20 residues pruned to eliminate duplicates Z: 10 8.609 1.585 0.689 0.534 0.889 0.667 N 1.166 10 residues pruned to eliminate duplicates Z: 6 3.656 1.557 0.220 0.555 0.800 0.400 CB 1.021 6 1.596 1.166 0.108 0.411 0.800 0.600 CB 0.758 ? Z: 6 3.197 1.527 0.272 0.234 1.000 0.200 CB 1.002 6 residues pruned to eliminate duplicates Z: 11 6.067 1.696 0.318 0.391 0.800 0.500 CB 1.204 17 residues pruned to eliminate duplicates Z: 11 9.190 1.457 0.562 0.787 1.000 0.800 O 0.992 8 residues pruned to eliminate duplicates Z: 10 9.477 1.462 0.639 0.856 1.000 0.778 O 0.972 10 residues pruned to eliminate duplicates Z: 11 8.854 1.473 0.537 0.890 1.000 0.900 CB 0.890 10 residues pruned to eliminate duplicates Z: 11 8.082 1.402 0.595 0.896 1.000 0.800 CB 0.819 10 residues pruned to eliminate duplicates Z: 10 8.316 1.466 0.762 0.930 1.000 1.000 CB 0.751 10 residues pruned to eliminate duplicates Z: 10 6.041 1.393 0.634 0.552 0.889 0.556 CB 0.946 10 residues pruned to eliminate duplicates Z: 14 5.754 1.440 0.517 0.623 0.769 0.615 CB 0.846 14 residues pruned to eliminate duplicates Z: 11 5.347 1.378 0.638 0.630 0.800 0.500 CB 0.829 11 residues pruned to eliminate duplicates Z: 8 6.428 1.448 0.651 0.605 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 13 7.164 1.474 0.720 0.615 0.833 0.667 CB 0.878 8 residues pruned to eliminate duplicates Z: 10 6.969 1.437 0.181 0.852 1.000 0.778 CB 1.012 10 residues pruned to eliminate duplicates Z: 9 7.323 1.585 0.176 0.686 1.000 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 15 5.415 1.586 0.313 0.543 0.857 0.429 CB 0.778 13 residues pruned to eliminate duplicates Z: 10 8.042 1.487 0.423 0.864 1.000 0.889 CB 0.929 10 residues pruned to eliminate duplicates Z: 11 8.812 1.458 0.339 0.892 1.000 0.800 CB 1.026 11 residues pruned to eliminate duplicates Z: 11 7.987 1.440 0.207 0.870 1.000 0.800 CB 1.061 11 residues pruned to eliminate duplicates Z: 11 4.743 1.487 0.160 0.417 0.800 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 12 7.737 1.682 0.267 0.911 1.000 0.909 CB 0.776 12 residues pruned to eliminate duplicates Z: 11 7.838 1.647 0.536 0.789 1.000 0.700 CB 0.760 11 residues pruned to eliminate duplicates Z: 16 7.822 1.609 0.379 0.483 0.867 0.467 CB 1.069 17 residues pruned to eliminate duplicates Z: 15 7.696 1.640 0.456 0.867 0.929 0.929 CB 0.678 15 residues pruned to eliminate duplicates Z: 18 7.178 1.541 0.509 0.473 0.882 0.471 CB 0.873 18 residues pruned to eliminate duplicates Z: 17 10.275 1.610 0.422 0.727 0.938 0.688 CB 0.975 17 residues pruned to eliminate duplicates Z: 19 11.784 1.611 0.462 0.659 1.000 0.667 CB 1.017 19 residues pruned to eliminate duplicates Z: 17 11.432 1.662 0.513 0.801 0.938 0.750 CB 0.932 17 residues pruned to eliminate duplicates Z: 21 14.162 1.616 0.621 0.666 0.950 0.700 CB 1.091 21 residues pruned to eliminate duplicates 7 1.914 1.430 0.664 0.481 0.500 0.000 CB 0.670 ? Z: 16 6.995 1.543 0.479 0.600 0.800 0.600 CB 0.899 16 residues pruned to eliminate duplicates Z: 17 9.320 1.545 0.844 0.497 0.875 0.500 CB 0.938 17 residues pruned to eliminate duplicates Z: 16 8.055 1.591 0.669 0.467 0.733 0.333 CB 1.105 16 residues pruned to eliminate duplicates Z: 19 10.199 1.616 0.654 0.469 0.833 0.222 CB 1.114 16 residues pruned to eliminate duplicates Z: 18 14.348 1.658 0.663 0.868 1.000 0.706 CB 0.923 18 residues pruned to eliminate duplicates Z: 16 10.691 1.634 0.756 0.524 0.933 0.267 CB 1.006 18 residues pruned to eliminate duplicates Z: 10 6.651 1.400 0.870 0.600 0.778 0.444 N 0.990 10 residues pruned to eliminate duplicates Z: 14 10.460 1.677 0.711 0.642 0.846 0.538 CB 1.046 14 residues pruned to eliminate duplicates Z: 11 11.888 1.686 0.734 0.624 1.000 0.400 CB 1.144 11 residues pruned to eliminate duplicates Z: 6 5.162 1.802 0.054 0.594 1.000 0.800 CB 1.111 6 residues pruned to eliminate duplicates Z: 14 8.765 1.563 0.294 0.575 1.000 0.462 CB 1.118 14 residues pruned to eliminate duplicates Z: 16 11.153 1.585 0.885 0.514 0.867 0.600 CB 1.096 13 residues pruned to eliminate duplicates Z: 6 2.212 1.208 0.497 0.280 1.000 0.400 CB 0.701 6 residues pruned to eliminate duplicates Z: 8 5.588 1.656 0.627 0.428 0.714 0.571 CB 1.183 8 residues pruned to eliminate duplicates Z: 16 7.601 1.613 0.423 0.443 0.933 0.467 CB 0.972 16 residues pruned to eliminate duplicates Z: 11 11.526 1.634 0.337 0.821 1.000 0.700 CB 1.263 11 residues pruned to eliminate duplicates Z: 12 11.835 1.599 0.418 0.808 1.000 0.818 CB 1.203 12 residues pruned to eliminate duplicates Z: 21 9.149 1.463 0.395 0.606 0.800 0.600 CB 1.133 21 residues pruned to eliminate duplicates Z: 17 10.043 1.562 0.291 0.709 0.938 0.812 CB 1.098 25 residues pruned to eliminate duplicates Z: 29 15.979 1.618 0.398 0.727 0.893 0.679 CB 1.218 35 residues pruned to eliminate duplicates Z: 10 13.407 1.726 0.584 0.887 1.000 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 18 9.781 1.567 0.391 0.535 0.882 0.765 CB 1.191 18 residues pruned to eliminate duplicates Z: 11 9.586 1.605 0.490 0.791 0.900 0.600 CB 1.091 11 residues pruned to eliminate duplicates Z: 15 16.183 1.839 0.783 0.587 1.000 0.857 CB 1.213 16 residues pruned to eliminate duplicates Z: 12 20.594 1.901 0.728 0.845 0.909 0.818 N 1.545 12 residues pruned to eliminate duplicates Z: 22 22.112 1.790 0.857 0.646 1.000 0.762 CB 1.267 19 residues pruned to eliminate duplicates Z: 12 22.659 1.824 0.807 0.921 1.000 0.909 CB 1.459 12 residues pruned to eliminate duplicates Z: 24 16.297 1.705 0.735 0.553 0.870 0.609 CB 1.255 24 residues pruned to eliminate duplicates Z: 16 20.707 1.755 0.767 0.694 1.000 0.800 CB 1.443 16 residues pruned to eliminate duplicates Z: 12 26.868 1.933 0.944 0.915 1.000 0.909 CB 1.524 13 residues pruned to eliminate duplicates Z: 12 25.549 1.932 0.847 0.912 1.000 0.909 CB 1.528 12 residues pruned to eliminate duplicates Z: 14 20.319 1.831 0.836 0.824 0.923 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 22 22.303 1.794 0.784 0.628 1.000 0.714 CB 1.348 22 residues pruned to eliminate duplicates Z: 23 19.897 1.744 0.817 0.588 0.955 0.682 CB 1.289 23 residues pruned to eliminate duplicates Z: 16 18.054 1.807 0.696 0.684 1.000 0.733 CB 1.284 16 residues pruned to eliminate duplicates Z: 23 17.595 1.754 0.663 0.593 1.000 0.591 CB 1.177 23 residues pruned to eliminate duplicates Z: 8 6.133 1.620 0.695 0.467 1.000 0.429 CB 0.873 8 residues pruned to eliminate duplicates Z: 23 17.716 1.761 0.781 0.611 0.909 0.682 CB 1.193 23 residues pruned to eliminate duplicates Z: 8 6.440 1.600 0.554 0.431 0.857 0.286 N 1.227 8 residues pruned to eliminate duplicates Z: 10 6.170 1.537 0.491 0.332 0.889 0.444 CB 1.214 10 residues pruned to eliminate duplicates Z: 24 17.788 1.748 0.779 0.542 0.913 0.565 CB 1.254 24 residues pruned to eliminate duplicates Z: 23 18.823 1.739 0.631 0.593 1.000 0.636 CB 1.295 23 residues pruned to eliminate duplicates Z: 7 8.954 1.714 0.553 0.512 1.000 0.667 CB 1.356 7 residues pruned to eliminate duplicates Z: 17 12.342 1.470 0.463 0.874 0.938 0.625 O 1.114 16 residues pruned to eliminate duplicates Z: 13 8.286 1.475 0.434 0.772 0.917 0.417 CB 0.969 13 residues pruned to eliminate duplicates Z: 12 11.287 1.569 0.480 0.917 0.909 0.818 CB 1.138 12 residues pruned to eliminate duplicates Z: 10 6.401 1.467 0.604 0.547 0.778 0.556 N 1.114 10 residues pruned to eliminate duplicates Z: 11 9.514 1.447 0.630 0.629 1.000 0.600 N 1.130 11 residues pruned to eliminate duplicates Z: 12 9.844 1.494 0.527 0.794 0.909 0.545 O 1.106 12 residues pruned to eliminate duplicates Z: 13 7.273 1.540 0.547 0.692 0.833 0.667 CB 0.887 13 residues pruned to eliminate duplicates Z: 11 9.501 1.588 0.534 0.716 0.900 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 12 10.342 1.582 0.524 0.787 0.909 0.727 CB 1.105 12 residues pruned to eliminate duplicates Z: 15 6.839 1.525 0.490 0.588 0.714 0.571 CB 1.035 15 residues pruned to eliminate duplicates Z: 18 9.541 1.464 0.377 0.649 0.882 0.471 CB 1.131 18 residues pruned to eliminate duplicates Z: 12 5.617 1.336 0.419 0.798 0.818 0.636 CB 0.842 12 residues pruned to eliminate duplicates Z: 16 8.505 1.493 0.398 0.805 0.867 0.733 CB 0.931 16 residues pruned to eliminate duplicates Z: 15 10.780 1.526 0.625 0.777 0.929 0.643 CB 0.980 15 residues pruned to eliminate duplicates Z: 16 8.475 1.414 0.522 0.794 0.800 0.600 CB 0.982 16 residues pruned to eliminate duplicates Z: 11 6.081 1.644 0.420 0.458 0.700 0.600 CB 1.228 8 residues pruned to eliminate duplicates Z: 7 4.096 1.620 0.268 0.417 0.833 0.333 CA 1.065 7 residues pruned to eliminate duplicates Z: 17 18.104 1.742 0.505 0.723 1.000 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 16 13.914 1.521 0.704 0.754 0.933 0.400 N 1.184 16 residues pruned to eliminate duplicates Z: 34 16.701 1.822 0.480 0.459 0.970 0.545 CB 1.159 35 residues pruned to eliminate duplicates Z: 10 14.155 1.704 0.563 0.875 0.889 0.556 CA 1.449 10 residues pruned to eliminate duplicates Z: 30 11.928 1.777 0.336 0.465 0.828 0.483 CB 1.168 30 residues pruned to eliminate duplicates Z: 30 13.848 1.763 0.386 0.512 0.931 0.517 CB 1.117 30 residues pruned to eliminate duplicates Z: 25 16.464 1.808 0.464 0.605 0.875 0.667 CB 1.313 25 residues pruned to eliminate duplicates Z: 25 18.219 1.803 0.622 0.532 0.875 0.417 CB 1.407 25 residues pruned to eliminate duplicates Z: 21 15.839 1.712 0.547 0.575 0.950 0.550 CB 1.309 19 residues pruned to eliminate duplicates Z: 12 17.236 1.715 0.763 0.848 0.909 0.818 N 1.403 12 residues pruned to eliminate duplicates Z: 29 16.208 1.836 0.424 0.545 0.929 0.571 CB 1.207 29 residues pruned to eliminate duplicates Z: 33 15.438 1.800 0.509 0.483 0.844 0.500 CB 1.212 33 residues pruned to eliminate duplicates Z: 35 17.302 1.823 0.520 0.480 0.941 0.618 CB 1.161 35 residues pruned to eliminate duplicates Z: 22 8.432 1.635 0.310 0.434 0.762 0.476 CB 1.208 22 residues pruned to eliminate duplicates Z: 38 13.500 1.811 0.424 0.388 0.811 0.486 CB 1.195 38 residues pruned to eliminate duplicates Z: 22 19.696 1.857 0.485 0.682 0.952 0.762 CB 1.385 22 residues pruned to eliminate duplicates Z: 24 16.162 1.836 0.605 0.572 0.913 0.304 CB 1.168 24 residues pruned to eliminate duplicates Z: 39 18.273 1.828 0.559 0.475 0.868 0.553 CB 1.229 40 residues pruned to eliminate duplicates Z: 6 9.166 1.691 0.524 0.673 1.000 0.400 CB 1.357 16 residues pruned to eliminate duplicates Z: 12 10.230 1.578 0.613 0.777 1.000 0.909 CB 0.948 12 residues pruned to eliminate duplicates Z: 17 14.988 1.702 0.689 0.656 0.938 0.562 CB 1.203 17 residues pruned to eliminate duplicates Z: 7 3.943 1.411 0.414 0.630 0.833 0.167 N 0.857 7 residues pruned to eliminate duplicates Z: 15 11.851 1.703 0.625 0.696 0.857 0.357 CB 1.116 15 residues pruned to eliminate duplicates Z: 16 12.951 1.682 0.843 0.674 0.867 0.467 CB 1.061 16 residues pruned to eliminate duplicates Z: 13 11.950 1.758 0.981 0.736 0.750 0.417 CB 1.069 13 residues pruned to eliminate duplicates Z: 16 8.887 1.707 0.811 0.450 0.733 0.533 CB 1.066 16 residues pruned to eliminate duplicates Z: 11 10.943 1.690 0.904 0.816 0.900 0.800 CB 0.908 11 residues pruned to eliminate duplicates Z: 14 11.694 1.719 0.796 0.644 0.923 0.538 CB 0.994 14 residues pruned to eliminate duplicates Z: 14 14.399 1.711 0.895 0.697 1.000 0.538 CB 1.029 14 residues pruned to eliminate duplicates Z: 10 13.444 1.840 1.193 0.692 0.778 0.556 CB 1.198 10 residues pruned to eliminate duplicates Z: 18 14.596 1.720 0.978 0.649 1.000 0.353 CB 0.905 18 residues pruned to eliminate duplicates Z: 15 15.963 1.654 0.890 0.900 1.000 0.786 CB 0.975 15 residues pruned to eliminate duplicates Z: 12 15.321 1.732 1.033 0.765 0.909 0.636 CB 1.140 12 residues pruned to eliminate duplicates Z: 16 15.693 1.704 0.842 0.834 0.933 0.600 CB 1.036 16 residues pruned to eliminate duplicates Z: 9 8.168 1.895 0.475 0.500 0.875 0.500 CB 1.181 9 residues pruned to eliminate duplicates Z: 8 5.560 1.881 0.133 0.543 0.857 0.429 CB 1.104 8 residues pruned to eliminate duplicates Z: 10 9.593 1.759 0.410 0.690 1.000 0.667 CB 1.083 10 residues pruned to eliminate duplicates Z: 8 8.786 1.897 0.446 0.627 1.000 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 8 7.453 1.864 0.348 0.604 1.000 0.571 CB 1.016 8 residues pruned to eliminate duplicates Z: 9 9.177 1.891 0.656 0.565 0.875 0.625 CB 1.112 9 residues pruned to eliminate duplicates Z: 24 18.211 1.776 0.694 0.764 0.957 0.609 CB 1.044 25 residues pruned to eliminate duplicates Z: 14 13.862 1.622 0.434 0.781 1.000 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 15.666 1.733 0.575 0.730 0.917 0.667 CB 1.470 13 residues pruned to eliminate duplicates Z: 12 15.020 1.692 0.706 0.721 0.909 0.727 N 1.413 12 residues pruned to eliminate duplicates Z: 11 13.658 1.758 0.697 0.690 0.800 0.600 N 1.521 11 residues pruned to eliminate duplicates Z: 11 15.552 1.755 0.665 0.751 0.900 0.700 CB 1.494 9 residues pruned to eliminate duplicates Z: 9 19.550 1.770 1.004 0.893 1.000 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 12 18.311 1.754 0.689 0.804 0.909 0.545 N 1.572 12 residues pruned to eliminate duplicates Z: 19 19.205 1.754 0.578 0.693 1.000 0.500 CB 1.371 19 residues pruned to eliminate duplicates Z: 13 22.440 1.736 0.765 0.912 1.000 0.917 CB 1.496 13 residues pruned to eliminate duplicates Z: 18 18.048 1.800 0.684 0.625 0.882 0.647 CB 1.455 17 residues pruned to eliminate duplicates Z: 13 21.447 1.722 0.814 0.916 1.000 0.833 CB 1.400 13 residues pruned to eliminate duplicates Z: 18 20.432 1.789 0.656 0.680 0.941 0.588 CB 1.506 18 residues pruned to eliminate duplicates Z: 7 5.404 1.925 0.124 0.265 0.833 0.333 N 1.598 7 residues pruned to eliminate duplicates Z: 8 5.245 1.732 0.237 0.492 0.714 0.429 N 1.306 8 residues pruned to eliminate duplicates Z: 11 6.387 1.653 0.222 0.424 0.900 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 12 5.602 1.628 0.033 0.449 0.909 0.545 CB 1.164 12 residues pruned to eliminate duplicates Z: 10 5.955 1.726 0.211 0.366 0.889 0.556 CB 1.233 10 residues pruned to eliminate duplicates Z: 8 4.008 1.645 0.094 0.451 0.714 0.429 CB 1.239 8 residues pruned to eliminate duplicates Z: 21 16.249 1.693 0.801 0.605 0.850 0.500 N 1.269 22 residues pruned to eliminate duplicates Z: 17 11.632 1.587 0.166 0.848 1.000 0.812 CB 1.167 12 residues pruned to eliminate duplicates 7 1.901 1.253 -0.197 0.562 0.833 0.667 CB 0.872 ? Z: 7 8.311 1.606 0.146 0.841 1.000 0.667 CA 1.374 7 residues pruned to eliminate duplicates Z: 13 9.963 1.739 0.267 0.685 1.000 0.750 CB 1.102 13 residues pruned to eliminate duplicates Z: 12 12.280 1.771 0.410 0.676 0.909 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 10 12.864 1.821 0.470 0.743 0.889 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 12 10.065 1.767 0.487 0.596 0.818 0.545 CB 1.288 12 residues pruned to eliminate duplicates Z: 11 10.008 1.789 0.457 0.761 0.800 0.700 CB 1.204 11 residues pruned to eliminate duplicates Z: 10 10.701 1.799 0.645 0.771 0.889 0.778 CB 1.066 10 residues pruned to eliminate duplicates Z: 9 11.075 1.826 0.494 0.882 1.000 0.750 CB 1.039 9 residues pruned to eliminate duplicates Z: 10 10.892 1.807 0.605 0.814 0.889 0.889 CB 1.072 10 residues pruned to eliminate duplicates Z: 18 8.877 1.651 0.552 0.527 0.882 0.412 CB 0.927 20 residues pruned to eliminate duplicates Z: 12 16.243 1.668 0.910 0.900 1.000 0.818 CB 1.098 12 residues pruned to eliminate duplicates Z: 15 10.748 1.661 0.619 0.662 0.857 0.714 CB 1.072 15 residues pruned to eliminate duplicates Z: 6 2.198 1.498 0.255 0.275 0.800 0.200 CB 0.843 6 residues pruned to eliminate duplicates Z: 14 5.454 1.326 0.578 0.377 0.923 0.615 CB 0.893 9 residues pruned to eliminate duplicates Z: 6 3.951 1.384 0.778 0.381 1.000 0.800 CA 0.815 9 residues pruned to eliminate duplicates Z: 6 4.328 1.328 0.903 0.393 0.800 0.400 O 1.071 Z: 12 9.230 1.680 0.004 0.727 1.000 0.818 CB 1.345 16 residues pruned to eliminate duplicates Z: 10 12.793 1.791 0.279 0.892 1.000 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 14 14.001 1.755 0.512 0.724 1.000 0.615 CB 1.195 13 residues pruned to eliminate duplicates Z: 10 13.167 1.802 0.408 0.896 1.000 0.889 CB 1.239 10 residues pruned to eliminate duplicates Z: 14 13.506 1.686 0.512 0.762 1.000 0.769 CB 1.164 14 residues pruned to eliminate duplicates Z: 10 12.079 1.767 0.354 0.889 1.000 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 16 12.273 1.687 0.555 0.670 0.933 0.667 CB 1.106 16 residues pruned to eliminate duplicates Z: 13 12.248 1.684 0.671 0.699 1.000 0.833 CB 1.048 14 residues pruned to eliminate duplicates Z: 10 13.911 1.825 0.725 0.883 1.000 0.778 CB 1.066 10 residues pruned to eliminate duplicates Z: 15 11.194 1.640 0.484 0.718 0.929 0.786 CB 1.087 15 residues pruned to eliminate duplicates Z: 14 10.398 1.645 0.552 0.744 1.000 0.692 CB 0.908 14 residues pruned to eliminate duplicates Z: 12 12.946 1.708 0.446 0.744 0.909 0.636 CB 1.398 12 residues pruned to eliminate duplicates Z: 18 8.088 1.696 0.210 0.586 0.941 0.647 CB 0.935 18 residues pruned to eliminate duplicates Z: 12 9.112 1.754 0.081 0.759 0.909 0.636 CB 1.266 12 residues pruned to eliminate duplicates Z: 7 10.283 1.898 0.210 0.821 1.000 1.000 CB 1.384 7 residues pruned to eliminate duplicates Z: 16 6.944 1.677 0.311 0.487 0.800 0.533 CB 1.033 16 residues pruned to eliminate duplicates Z: 11 11.133 1.694 0.655 0.750 0.800 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 15 10.310 1.801 0.385 0.687 1.000 0.714 CB 0.931 14 residues pruned to eliminate duplicates Z: 10 13.248 1.887 0.297 0.892 1.000 1.000 CB 1.297 10 residues pruned to eliminate duplicates Z: 18 9.117 1.770 0.407 0.586 0.824 0.706 CB 0.993 18 residues pruned to eliminate duplicates Z: 16 13.706 1.767 0.612 0.674 1.000 0.533 CB 1.058 16 residues pruned to eliminate duplicates Z: 12 16.390 1.790 0.493 0.877 1.000 0.909 CB 1.343 16 residues pruned to eliminate duplicates Z: 14 13.253 1.789 0.441 0.755 1.000 0.846 CB 1.136 14 residues pruned to eliminate duplicates Z: 15 10.285 1.779 0.386 0.705 1.000 0.786 CB 0.925 15 residues pruned to eliminate duplicates Z: 16 12.030 1.801 0.447 0.654 1.000 0.667 CB 1.033 16 residues pruned to eliminate duplicates Z: 10 5.666 1.609 0.191 0.458 0.889 0.444 CB 1.158 10 residues pruned to eliminate duplicates Z: 12 8.685 1.585 0.528 0.453 0.909 0.455 N 1.249 18 residues pruned to eliminate duplicates Z: 8 6.910 1.492 0.345 0.601 1.000 0.571 N 1.183 8 residues pruned to eliminate duplicates Z: 9 6.452 1.382 0.512 0.702 0.875 0.500 O 1.038 9 residues pruned to eliminate duplicates Z: 7 5.064 1.493 0.281 0.663 0.833 0.667 O 1.116 7 residues pruned to eliminate duplicates Z: 11 9.186 1.487 0.644 0.551 0.900 0.500 O 1.256 11 residues pruned to eliminate duplicates 1157 residues left after pruning, divided into chains as follows: A: 10 B: 12 C: 23 D: 38 E: 14 F: 27 G: 42 H: 23 I: 22 J: 14 K: 42 L: 18 M: 12 N: 14 O: 6 P: 11 Q: 8 R: 42 S: 18 T: 34 U: 8 V: 41 W: 15 X: 18 Y: 101 Z: 7 Z: 16 Z: 6 Z: 19 Z: 25 Z: 40 Z: 24 Z: 6 Z: 13 Z: 10 Z: 75 Z: 27 Z: 21 Z: 40 Z: 35 Z: 51 Z: 24 Z: 14 Z: 15 Z: 11 Z: 35 Z: 30 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 34.81 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.396, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.689 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.717 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.720 for dens.mod. cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.724 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.726 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.729 for dens.mod. cycle 7 = 0.300, Contrast = 0.569, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.571, Connect. = 0.732 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.733 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4657 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1178 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 17.126 1.845 0.556 0.856 1.000 0.600 CB 1.391 B: 13 14.241 1.776 0.503 0.783 1.000 0.667 CA 1.200 C: 11 16.458 1.811 0.392 0.875 1.000 0.900 CB 1.501 11 residues pruned to eliminate duplicates D: 12 18.580 1.855 0.596 0.835 1.000 0.727 CA 1.417 11 residues pruned to eliminate duplicates E: 10 19.080 1.975 0.488 0.905 1.000 0.889 CB 1.540 10 residues pruned to eliminate duplicates F: 13 17.575 1.756 0.471 0.873 1.000 0.917 CB 1.430 G: 20 19.273 1.732 0.700 0.867 0.947 0.632 CB 1.159 H: 13 18.448 1.791 0.501 0.911 1.000 0.917 N 1.405 13 residues pruned to eliminate duplicates I: 15 13.843 1.698 0.407 0.909 1.000 0.857 CB 1.099 J: 16 20.182 1.827 0.369 0.835 1.000 0.733 CB 1.560 K: 10 19.098 1.874 0.769 0.882 1.000 0.889 N 1.390 10 residues pruned to eliminate duplicates L: 12 19.823 1.814 0.800 0.917 1.000 0.909 CB 1.292 M: 11 17.779 1.806 0.517 0.893 1.000 1.000 CB 1.473 N: 15 22.352 1.897 0.592 0.862 1.000 0.929 CB 1.452 16 residues pruned to eliminate duplicates O: 10 9.996 1.696 0.710 0.552 0.889 0.778 CB 1.229 P: 14 13.520 1.716 0.466 0.918 1.000 0.615 CB 1.051 14 residues pruned to eliminate duplicates Q: 10 11.697 1.916 0.102 0.874 1.000 0.889 CB 1.344 R: 15 14.546 1.623 0.543 0.870 1.000 0.857 CA 1.133 13 residues pruned to eliminate duplicates S: 12 6.739 1.626 0.349 0.356 0.818 0.636 CA 1.323 T: 15 11.961 1.791 0.558 0.827 0.929 0.714 CB 0.930 U: 14 18.947 1.846 0.585 0.930 1.000 0.923 CB 1.256 V: 14 7.283 1.464 0.745 0.727 0.692 0.462 CB 0.931 W: 13 16.386 1.790 0.489 0.860 0.917 0.833 CB 1.423 X: 14 19.279 1.841 0.557 0.836 1.000 0.923 CB 1.395 Y: 13 18.607 1.846 0.744 0.854 0.917 0.833 CB 1.344 14 residues pruned to eliminate duplicates Z: 12 20.331 1.940 0.501 0.877 1.000 0.818 CA 1.529 12 residues pruned to eliminate duplicates Z: 20 15.245 1.587 0.660 0.893 1.000 0.895 CB 0.953 Z: 10 10.480 1.675 0.337 0.844 1.000 0.778 CB 1.161 Z: 21 13.221 1.853 0.486 0.501 0.900 0.600 CB 1.192 15 residues pruned to eliminate duplicates Z: 13 16.748 1.819 0.341 0.913 1.000 0.833 CB 1.403 Z: 25 24.682 1.780 0.635 0.928 1.000 0.750 CB 1.212 19 residues pruned to eliminate duplicates Z: 14 15.806 1.834 0.401 0.899 0.923 0.846 CB 1.321 14 residues pruned to eliminate duplicates Z: 12 20.133 1.894 0.560 0.887 1.000 0.727 CB 1.481 Z: 11 16.017 1.768 0.708 0.810 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 14 10.335 1.581 0.634 0.720 0.769 0.385 CB 1.182 13 residues pruned to eliminate duplicates Z: 12 14.956 1.724 0.515 0.893 0.909 0.909 CB 1.363 12 residues pruned to eliminate duplicates Z: 12 21.846 1.857 0.717 0.858 1.000 0.818 CB 1.522 12 residues pruned to eliminate duplicates Z: 22 14.624 1.850 0.429 0.541 0.905 0.619 CB 1.283 15 residues pruned to eliminate duplicates Z: 6 7.498 1.758 1.192 0.283 0.800 0.400 CB 1.390 Z: 12 19.487 1.961 0.400 0.877 1.000 1.000 CA 1.555 12 residues pruned to eliminate duplicates Z: 11 14.736 1.755 0.462 0.810 0.900 0.900 CA 1.541 Z: 12 14.121 1.811 0.424 0.866 1.000 1.000 CB 1.209 12 residues pruned to eliminate duplicates Z: 11 13.460 1.704 0.523 0.821 1.000 0.600 CB 1.241 Z: 13 13.725 1.789 0.271 0.880 1.000 0.917 CB 1.262 Z: 13 17.763 1.742 0.605 0.852 1.000 0.917 CB 1.356 12 residues pruned to eliminate duplicates Z: 11 21.529 1.963 0.625 0.892 1.000 0.900 CB 1.534 13 residues pruned to eliminate duplicates Z: 12 11.261 1.777 0.166 0.857 1.000 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 16.467 1.642 0.591 0.883 0.941 0.882 CB 1.175 Z: 12 11.902 1.561 0.462 0.902 0.909 0.909 CA 1.234 Z: 13 10.255 1.790 0.669 0.798 0.833 0.750 CB 0.916 13 residues pruned to eliminate duplicates Z: 12 17.356 1.754 0.610 0.878 1.000 0.818 N 1.345 4 residues pruned to eliminate duplicates Z: 12 13.006 1.624 0.483 0.811 1.000 0.636 CB 1.242 Z: 16 20.370 1.801 0.688 0.819 1.000 0.867 CB 1.313 16 residues pruned to eliminate duplicates Z: 24 24.804 1.805 0.711 0.907 1.000 0.826 CB 1.190 24 residues pruned to eliminate duplicates Z: 12 19.297 1.882 0.544 0.861 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 9 8.909 1.917 -0.017 0.842 1.000 1.000 CB 1.245 9 residues pruned to eliminate duplicates Z: 17 7.869 1.532 0.440 0.420 0.938 0.438 N 1.033 Z: 15 20.062 1.846 0.476 0.851 0.929 0.857 CB 1.569 15 residues pruned to eliminate duplicates Z: 12 10.898 1.706 0.346 0.842 1.000 0.909 CB 1.067 11 residues pruned to eliminate duplicates Z: 11 13.040 1.643 0.616 0.906 1.000 1.000 CB 1.105 Z: 12 5.129 1.660 0.476 0.222 0.909 0.364 CB 0.962 Z: 10 12.023 1.920 0.406 0.847 0.889 0.778 CB 1.240 10 residues pruned to eliminate duplicates 7 1.858 1.389 0.252 0.260 0.500 0.333 CB 1.148 ? Z: 9 9.627 1.735 0.512 0.753 0.750 0.750 CB 1.381 Z: 10 5.030 1.611 0.719 0.563 0.889 0.556 CB 0.640 Z: 20 17.274 1.664 0.670 0.907 1.000 0.789 CB 1.013 21 residues pruned to eliminate duplicates Z: 14 15.824 1.847 0.499 0.903 0.923 0.846 CB 1.224 14 residues pruned to eliminate duplicates Z: 13 23.041 1.886 0.804 0.908 1.000 0.917 CB 1.389 11 residues pruned to eliminate duplicates Z: 9 10.708 1.518 0.758 0.883 0.875 0.875 CA 1.173 Z: 22 16.997 1.658 0.778 0.914 0.857 0.619 CB 1.038 Z: 13 16.714 1.816 0.429 0.914 1.000 1.000 CB 1.316 13 residues pruned to eliminate duplicates Z: 9 4.343 1.607 0.500 0.615 1.000 0.625 CB 0.572 Z: 22 17.908 1.817 0.487 0.630 0.952 0.714 CB 1.345 13 residues pruned to eliminate duplicates Z: 14 12.574 1.633 0.451 0.855 1.000 0.692 CB 1.086 Z: 9 10.270 1.984 0.184 0.842 0.875 0.875 CB 1.316 9 residues pruned to eliminate duplicates Z: 11 17.015 1.923 0.543 0.881 0.900 0.700 N 1.459 11 residues pruned to eliminate duplicates 6 1.065 1.431 0.367 0.598 0.600 0.600 CB 0.370 ? Z: 12 21.276 1.909 0.532 0.892 1.000 0.909 CB 1.575 12 residues pruned to eliminate duplicates Z: 12 17.095 1.802 0.505 0.858 0.909 0.727 CB 1.540 12 residues pruned to eliminate duplicates Z: 8 6.211 1.653 0.397 0.447 1.000 0.571 CB 1.073 Z: 10 12.500 1.821 0.414 0.880 1.000 1.000 CB 1.172 Z: 15 14.157 1.689 0.472 0.793 0.929 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 15 14.334 1.626 0.612 0.888 0.929 0.786 N 1.133 14 residues pruned to eliminate duplicates Z: 13 14.636 1.871 0.178 0.897 1.000 0.750 CB 1.372 13 residues pruned to eliminate duplicates Z: 14 15.979 1.792 0.620 0.786 0.923 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 19 13.503 1.832 0.612 0.631 0.833 0.500 CB 1.144 10 residues pruned to eliminate duplicates Z: 14 3.244 1.459 0.202 0.356 0.615 0.385 CB 0.974 Z: 8 9.761 1.911 0.300 0.856 1.000 1.000 CB 1.095 8 residues pruned to eliminate duplicates Z: 20 18.971 1.988 0.594 0.628 0.895 0.526 CB 1.361 16 residues pruned to eliminate duplicates Z: 11 7.542 1.716 0.654 0.404 0.700 0.500 N 1.328 Z: 12 17.513 1.831 0.741 0.785 0.818 0.455 N 1.575 12 residues pruned to eliminate duplicates Z: 16 21.563 1.858 0.427 0.865 1.000 0.800 CB 1.538 16 residues pruned to eliminate duplicates Z: 8 8.605 1.727 0.655 0.462 0.857 0.714 CB 1.380 Z: 7 6.590 1.803 0.344 0.879 1.000 0.833 CB 0.805 Z: 12 10.924 1.822 0.153 0.873 1.000 0.818 CB 1.143 12 residues pruned to eliminate duplicates Z: 15 11.265 1.682 0.391 0.693 0.857 0.714 CB 1.259 13 residues pruned to eliminate duplicates Z: 11 12.550 1.716 0.931 0.773 0.800 0.700 CA 1.176 11 residues pruned to eliminate duplicates Z: 13 8.899 1.614 0.365 0.818 0.833 0.500 CB 1.062 13 residues pruned to eliminate duplicates Z: 26 21.649 1.771 0.583 0.917 1.000 0.920 CB 1.090 26 residues pruned to eliminate duplicates Z: 17 18.134 1.767 0.597 0.700 0.938 0.688 CB 1.428 13 residues pruned to eliminate duplicates Z: 14 14.143 1.700 0.320 0.842 1.000 0.846 CB 1.302 12 residues pruned to eliminate duplicates Z: 9 6.913 1.741 0.668 0.478 0.875 0.750 CB 0.984 9 residues pruned to eliminate duplicates Z: 8 7.457 1.741 0.351 0.840 1.000 0.857 CB 0.894 Z: 12 12.176 1.639 0.510 0.808 1.000 0.727 CB 1.134 13 residues pruned to eliminate duplicates Z: 9 5.049 1.635 0.532 0.638 0.875 0.750 CB 0.716 Z: 10 10.985 1.759 0.645 0.548 0.889 0.667 CB 1.358 Z: 12 13.403 1.824 0.407 0.833 0.909 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 12 14.923 1.706 0.581 0.873 1.000 1.000 CB 1.215 Z: 8 2.848 1.394 0.057 0.399 0.714 0.571 N 1.138 Z: 13 12.435 1.650 0.458 0.844 1.000 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 16 14.957 1.678 0.387 0.879 0.933 0.800 CA 1.289 16 residues pruned to eliminate duplicates Z: 12 16.114 1.819 0.767 0.803 0.818 0.545 N 1.417 12 residues pruned to eliminate duplicates Z: 12 13.045 1.614 0.699 0.787 0.909 0.545 CB 1.225 7 residues pruned to eliminate duplicates Z: 25 20.587 1.650 0.623 0.841 0.917 0.667 CB 1.276 Z: 10 13.669 1.895 0.475 0.888 1.000 0.889 CB 1.174 10 residues pruned to eliminate duplicates Z: 12 5.972 1.679 0.398 0.852 0.909 0.636 CB 0.624 12 residues pruned to eliminate duplicates Z: 15 9.428 1.497 0.569 0.876 0.929 0.643 CB 0.840 Z: 9 10.351 1.529 0.771 0.770 1.000 0.750 CB 1.064 Z: 14 18.233 1.870 0.577 0.839 0.923 0.846 CB 1.387 13 residues pruned to eliminate duplicates Z: 14 14.828 1.738 0.555 0.786 0.923 0.769 CB 1.283 14 residues pruned to eliminate duplicates Z: 10 11.093 1.734 0.545 0.898 1.000 0.889 CB 0.987 9 residues pruned to eliminate duplicates Z: 13 11.306 1.644 0.494 0.773 0.917 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 12 20.464 1.904 0.432 0.906 1.000 1.000 CB 1.609 12 residues pruned to eliminate duplicates Z: 21 19.456 1.758 0.839 0.835 0.850 0.500 CB 1.186 21 residues pruned to eliminate duplicates Z: 23 6.870 1.597 0.501 0.294 0.682 0.364 N 1.129 Z: 10 11.380 1.914 0.344 0.839 1.000 1.000 CB 1.101 10 residues pruned to eliminate duplicates Z: 24 11.723 1.668 0.170 0.900 0.957 0.913 CB 0.935 Z: 25 15.548 1.775 0.606 0.674 0.792 0.375 CB 1.197 14 residues pruned to eliminate duplicates Z: 8 8.860 1.705 0.589 0.660 0.857 0.571 CB 1.242 Z: 14 21.822 1.892 0.675 0.896 1.000 0.846 CB 1.368 14 residues pruned to eliminate duplicates Z: 18 16.232 1.582 0.751 0.773 0.882 0.588 CB 1.266 18 residues pruned to eliminate duplicates Z: 11 9.062 1.645 0.161 0.833 1.000 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 12 7.386 1.615 0.513 0.834 0.909 0.545 CB 0.752 Z: 16 24.728 1.818 0.732 0.875 1.000 0.933 CB 1.475 15 residues pruned to eliminate duplicates Z: 28 10.606 1.708 0.497 0.450 0.889 0.481 CB 0.945 22 residues pruned to eliminate duplicates Z: 24 14.303 1.787 0.643 0.531 0.913 0.522 CB 1.079 23 residues pruned to eliminate duplicates Z: 11 10.988 1.716 0.194 0.869 1.000 0.900 CB 1.239 11 residues pruned to eliminate duplicates Z: 14 16.992 1.859 0.496 0.781 0.923 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 14 12.728 1.882 0.751 0.404 0.846 0.462 CB 1.399 18 residues pruned to eliminate duplicates Z: 12 5.477 1.795 0.185 0.214 0.818 0.636 CB 1.329 Z: 12 14.632 1.795 0.306 0.844 0.909 0.727 CB 1.540 11 residues pruned to eliminate duplicates Z: 12 13.134 1.700 0.194 0.927 1.000 1.000 O 1.367 12 residues pruned to eliminate duplicates Z: 12 16.631 1.816 0.777 0.886 0.909 0.727 CB 1.233 12 residues pruned to eliminate duplicates Z: 14 14.224 1.718 0.737 0.893 1.000 0.769 CB 0.950 Z: 13 16.009 1.753 0.541 0.865 1.000 0.917 CB 1.254 13 residues pruned to eliminate duplicates Z: 16 15.417 1.658 0.758 0.855 0.933 0.733 CB 1.080 16 residues pruned to eliminate duplicates Z: 18 21.852 1.793 0.778 0.874 1.000 0.824 CB 1.210 18 residues pruned to eliminate duplicates Z: 14 6.413 1.661 0.484 0.479 0.846 0.615 CB 0.871 12 residues pruned to eliminate duplicates Z: 24 16.151 1.658 0.672 0.773 0.870 0.522 CB 1.097 24 residues pruned to eliminate duplicates Z: 6 6.111 1.798 0.462 0.469 0.800 0.400 N 1.342 Z: 10 6.204 1.666 0.479 0.825 1.000 0.778 CB 0.634 Z: 13 9.564 1.716 0.572 0.633 0.917 0.500 CB 0.985 8 residues pruned to eliminate duplicates Z: 24 27.194 1.826 0.803 0.942 1.000 0.870 CB 1.195 25 residues pruned to eliminate duplicates 6 1.266 1.648 -0.084 0.405 0.600 0.600 CB 0.690 ? Z: 9 5.147 1.698 0.170 0.763 0.875 0.750 CB 0.829 9 residues pruned to eliminate duplicates Z: 12 11.413 1.809 0.400 0.673 1.000 0.636 CB 1.159 7 residues pruned to eliminate duplicates Z: 13 13.063 1.767 0.834 0.750 0.833 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 13 19.520 1.787 0.528 0.854 1.000 0.750 CB 1.524 12 residues pruned to eliminate duplicates Z: 10 10.514 1.416 0.708 0.820 1.000 0.778 CB 1.098 9 residues pruned to eliminate duplicates Z: 16 15.472 1.616 0.566 0.847 1.000 0.733 CB 1.172 15 residues pruned to eliminate duplicates Z: 10 15.769 1.869 0.565 0.849 1.000 0.778 CB 1.333 10 residues pruned to eliminate duplicates Z: 23 19.411 1.658 0.823 0.924 1.000 0.773 CB 0.961 23 residues pruned to eliminate duplicates Z: 27 9.857 1.661 0.682 0.437 0.731 0.500 CB 1.011 20 residues pruned to eliminate duplicates Z: 10 13.253 1.849 0.357 0.849 0.889 0.778 CB 1.468 11 residues pruned to eliminate duplicates Z: 10 9.539 1.482 0.534 0.805 1.000 0.778 CB 1.072 Z: 8 5.062 1.654 0.681 0.422 0.714 0.571 CB 1.045 Z: 9 11.544 1.838 0.155 0.828 1.000 0.750 CB 1.446 9 residues pruned to eliminate duplicates Z: 19 16.649 1.657 0.724 0.923 1.000 0.944 CB 0.965 19 residues pruned to eliminate duplicates Z: 13 5.474 1.621 0.209 0.378 0.750 0.500 CB 1.224 13 residues pruned to eliminate duplicates Z: 12 8.962 1.688 0.577 0.634 0.909 0.727 CB 0.985 7 residues pruned to eliminate duplicates Z: 10 15.079 1.744 0.535 0.821 1.000 0.667 N 1.421 10 residues pruned to eliminate duplicates Z: 16 15.224 1.601 0.499 0.927 1.000 1.000 CB 1.148 16 residues pruned to eliminate duplicates Z: 7 2.595 1.550 -0.056 0.467 0.667 0.333 O 1.124 Z: 6 6.412 1.724 0.098 0.711 1.000 0.800 N 1.251 8 residues pruned to eliminate duplicates Z: 12 10.892 1.710 0.345 0.700 0.909 0.909 CB 1.308 12 residues pruned to eliminate duplicates Z: 13 23.211 1.863 0.825 0.893 1.000 0.917 CB 1.415 21 residues pruned to eliminate duplicates Z: 22 16.934 1.759 0.638 0.663 0.905 0.667 CB 1.219 23 residues pruned to eliminate duplicates Z: 6 2.061 1.629 0.398 0.343 0.800 0.400 CB 0.601 Z: 9 8.232 1.971 -0.138 0.899 1.000 1.000 CB 1.225 9 residues pruned to eliminate duplicates Z: 10 15.759 1.705 0.670 0.836 1.000 0.889 CB 1.382 Z: 10 4.710 1.393 0.088 0.707 1.000 0.556 CB 0.858 10 residues pruned to eliminate duplicates Z: 20 17.140 1.671 0.679 0.888 0.895 0.789 CB 1.128 20 residues pruned to eliminate duplicates Z: 17 11.966 1.660 0.940 0.546 0.812 0.438 CB 1.093 21 residues pruned to eliminate duplicates Z: 10 8.255 1.536 0.772 0.851 0.889 0.667 CB 0.842 10 residues pruned to eliminate duplicates Z: 11 8.952 1.829 0.342 0.585 0.900 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 24 14.273 1.738 0.398 0.914 1.000 0.826 CB 0.866 24 residues pruned to eliminate duplicates Z: 8 3.504 1.555 0.088 0.470 0.857 0.571 CB 0.942 Z: 20 16.490 1.592 0.597 0.905 1.000 0.789 CB 1.059 20 residues pruned to eliminate duplicates Z: 8 6.139 1.602 0.147 0.824 1.000 0.571 CB 0.953 Z: 14 16.185 1.658 0.695 0.750 1.000 0.308 CB 1.278 14 residues pruned to eliminate duplicates Z: 13 10.811 1.801 0.669 0.889 0.917 0.750 CB 0.816 Z: 25 15.067 1.919 0.436 0.508 0.875 0.542 CB 1.265 18 residues pruned to eliminate duplicates Z: 26 19.475 1.781 0.664 0.748 1.000 0.720 CB 1.053 26 residues pruned to eliminate duplicates Z: 6 7.187 1.611 0.494 0.713 1.000 1.000 CB 1.101 Z: 17 16.036 1.948 0.388 0.626 0.875 0.688 CB 1.505 17 residues pruned to eliminate duplicates Z: 9 12.900 1.866 0.522 0.893 1.000 0.875 CB 1.152 9 residues pruned to eliminate duplicates Z: 15 20.097 1.870 0.727 0.939 1.000 1.000 CB 1.156 15 residues pruned to eliminate duplicates Z: 6 2.122 1.088 0.540 0.737 0.800 0.400 CB 0.572 6 residues pruned to eliminate duplicates Z: 12 15.863 1.780 0.650 0.877 0.909 0.727 CA 1.301 14 residues pruned to eliminate duplicates Z: 6 3.087 1.833 0.455 0.856 1.000 0.800 CB 0.382 Z: 19 7.497 1.525 0.120 0.610 0.944 0.556 CB 0.986 Z: 14 6.029 1.568 0.805 0.466 0.692 0.538 CB 0.883 14 residues pruned to eliminate duplicates Z: 6 5.159 1.775 0.725 0.850 1.000 0.600 CB 0.558 5 residues pruned to eliminate duplicates Z: 11 14.750 1.771 0.379 0.886 1.000 0.900 CB 1.377 11 residues pruned to eliminate duplicates Z: 12 13.172 1.802 0.467 0.832 0.909 0.818 CB 1.240 12 residues pruned to eliminate duplicates Z: 12 20.171 1.828 0.647 0.890 1.000 1.000 CA 1.453 18 residues pruned to eliminate duplicates Z: 9 6.957 1.803 0.388 0.908 1.000 0.875 CB 0.698 Z: 10 14.195 1.819 0.985 0.903 0.889 0.889 CB 1.051 13 residues pruned to eliminate duplicates Z: 12 12.483 1.791 0.330 0.897 1.000 1.000 CB 1.131 12 residues pruned to eliminate duplicates Z: 7 8.523 1.895 0.501 0.527 1.000 0.667 CB 1.191 Z: 8 5.955 1.424 0.345 0.865 1.000 1.000 CB 0.862 8 residues pruned to eliminate duplicates Z: 26 14.551 1.648 0.293 0.907 0.960 0.880 CB 1.011 24 residues pruned to eliminate duplicates Z: 12 18.263 1.801 0.561 0.922 1.000 0.909 CB 1.377 12 residues pruned to eliminate duplicates Z: 7 4.771 1.561 0.179 0.602 0.833 0.333 CB 1.152 Z: 10 13.357 1.810 0.343 0.835 1.000 0.778 CB 1.372 10 residues pruned to eliminate duplicates Z: 8 7.286 1.701 0.413 0.869 1.000 1.000 CB 0.837 8 residues pruned to eliminate duplicates Z: 22 22.597 1.666 0.559 0.871 1.000 0.857 CB 1.385 22 residues pruned to eliminate duplicates Z: 11 15.373 1.722 0.578 0.832 1.000 0.500 N 1.342 11 residues pruned to eliminate duplicates Z: 14 13.183 1.794 0.290 0.889 1.000 0.923 CB 1.137 14 residues pruned to eliminate duplicates Z: 27 15.916 1.786 0.532 0.666 0.885 0.692 CB 1.105 17 residues pruned to eliminate duplicates Z: 23 15.518 1.862 0.599 0.551 0.909 0.545 CB 1.163 22 residues pruned to eliminate duplicates Z: 25 24.377 1.771 0.645 0.911 1.000 0.917 CB 1.210 25 residues pruned to eliminate duplicates Z: 12 13.169 1.662 0.590 0.742 0.909 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 13 5.883 1.610 0.678 0.283 0.833 0.500 CB 0.964 6 residues pruned to eliminate duplicates Z: 10 8.569 1.599 0.498 0.848 1.000 0.667 CB 0.884 14 residues pruned to eliminate duplicates Z: 15 19.979 1.721 0.803 0.850 0.929 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 13 12.778 1.708 0.545 0.807 0.833 0.417 N 1.284 13 residues pruned to eliminate duplicates Z: 14 4.720 1.640 0.245 0.338 0.923 0.385 CB 0.828 Z: 6 3.670 1.327 0.780 0.639 0.800 0.400 CB 0.763 Z: 11 6.975 1.687 0.826 0.863 1.000 0.900 CB 0.525 9 residues pruned to eliminate duplicates Z: 8 8.640 1.769 0.120 0.793 1.000 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 7 4.490 1.688 0.885 0.848 0.833 0.833 CB 0.513 Z: 7 3.698 1.501 0.496 0.412 0.833 0.833 CB 0.886 Z: 7 14.723 1.767 0.819 0.900 1.000 1.000 CB 1.335 10 residues pruned to eliminate duplicates Z: 14 17.301 1.907 0.290 0.910 1.000 0.923 CB 1.383 14 residues pruned to eliminate duplicates Z: 6 5.277 1.591 0.416 0.601 0.800 0.600 CB 1.190 Z: 23 14.825 1.827 0.580 0.547 0.864 0.636 CB 1.210 23 residues pruned to eliminate duplicates Z: 12 12.782 1.583 0.777 0.886 1.000 0.545 CB 0.989 11 residues pruned to eliminate duplicates Z: 8 8.402 1.738 0.557 0.832 1.000 0.714 CB 0.881 8 residues pruned to eliminate duplicates Z: 6 2.132 1.607 0.219 0.318 0.600 0.600 N 0.991 6 residues pruned to eliminate duplicates Z: 11 17.857 1.807 0.440 0.920 1.000 0.700 CB 1.528 12 residues pruned to eliminate duplicates Z: 12 12.243 1.507 0.591 0.856 1.000 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 14 10.623 1.888 0.437 0.438 1.000 0.615 CB 1.158 19 residues pruned to eliminate duplicates Z: 6 4.587 1.505 0.625 0.735 0.800 0.800 CB 0.849 Z: 10 3.528 1.474 0.370 0.290 0.778 0.444 N 0.947 Z: 11 14.317 1.662 0.516 0.845 1.000 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 12.516 1.999 0.751 0.738 1.000 0.800 CB 1.291 6 residues pruned to eliminate duplicates Z: 10 6.169 1.727 0.440 0.305 0.778 0.556 CB 1.320 Z: 11 8.935 1.722 0.136 0.893 1.000 0.800 CB 1.036 Z: 9 8.155 1.700 0.557 0.827 0.875 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 8 5.836 1.547 0.401 0.864 1.000 0.857 CB 0.746 8 residues pruned to eliminate duplicates Z: 14 21.726 1.903 0.510 0.862 1.000 0.846 CB 1.540 14 residues pruned to eliminate duplicates Z: 12 15.645 1.685 0.802 0.890 1.000 0.818 CB 1.118 12 residues pruned to eliminate duplicates Z: 19 12.474 1.739 0.540 0.664 0.833 0.500 CB 1.132 23 residues pruned to eliminate duplicates Z: 24 18.259 1.628 0.504 0.886 0.957 0.652 CB 1.173 18 residues pruned to eliminate duplicates Z: 7 3.868 1.724 0.230 0.533 0.833 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 11 10.346 1.701 0.247 0.814 0.900 0.800 CB 1.304 Z: 8 4.593 1.619 0.062 0.798 1.000 0.857 CB 0.778 Z: 16 10.868 1.506 0.369 0.872 1.000 0.867 O 0.992 16 residues pruned to eliminate duplicates Z: 13 6.640 1.594 0.355 0.404 0.833 0.583 CB 1.178 12 residues pruned to eliminate duplicates Z: 7 7.258 1.517 0.506 0.866 1.000 0.833 CB 0.949 7 residues pruned to eliminate duplicates Z: 7 3.515 1.545 0.267 0.506 0.667 0.667 N 1.093 7 residues pruned to eliminate duplicates Z: 6 5.696 1.455 0.920 0.487 1.000 0.600 N 0.924 8 residues pruned to eliminate duplicates Z: 10 8.527 1.608 0.533 0.517 1.000 0.667 CB 1.134 6 residues pruned to eliminate duplicates Z: 12 14.608 1.753 0.371 0.865 1.000 0.909 CB 1.342 11 residues pruned to eliminate duplicates Z: 6 6.954 1.515 0.352 0.834 1.000 0.600 O 1.138 6 residues pruned to eliminate duplicates Z: 14 5.925 1.605 0.289 0.432 0.769 0.385 CB 1.107 Z: 14 7.064 1.733 0.563 0.854 0.923 0.615 CB 0.579 14 residues pruned to eliminate duplicates Z: 6 2.865 1.592 0.425 0.400 0.800 0.400 CB 0.785 Z: 13 11.933 1.817 0.604 0.900 1.000 0.833 CB 0.844 22 residues pruned to eliminate duplicates Z: 25 14.662 1.788 0.682 0.448 0.792 0.583 CB 1.326 18 residues pruned to eliminate duplicates 6 1.799 1.350 0.085 0.753 0.800 0.400 CB 0.548 ? Z: 20 8.513 1.552 0.535 0.421 0.895 0.263 CB 0.995 14 residues pruned to eliminate duplicates Z: 13 19.568 1.679 0.746 0.888 1.000 0.917 N 1.388 12 residues pruned to eliminate duplicates Z: 13 14.565 1.801 0.457 0.896 1.000 0.917 CB 1.148 13 residues pruned to eliminate duplicates Z: 20 15.020 1.598 0.491 0.873 1.000 0.842 CB 1.053 19 residues pruned to eliminate duplicates Z: 8 9.967 1.770 0.779 0.896 1.000 0.714 CB 0.857 8 residues pruned to eliminate duplicates Z: 11 10.020 1.688 0.267 0.853 0.900 0.700 CB 1.217 11 residues pruned to eliminate duplicates Z: 13 19.077 1.821 0.511 0.914 1.000 0.833 N 1.415 13 residues pruned to eliminate duplicates Z: 24 21.587 1.793 0.566 0.924 1.000 0.913 CB 1.125 24 residues pruned to eliminate duplicates Z: 10 14.728 1.731 0.628 0.893 1.000 0.778 CB 1.251 11 residues pruned to eliminate duplicates Z: 26 18.683 1.603 0.554 0.814 0.960 0.720 CB 1.189 26 residues pruned to eliminate duplicates Z: 12 5.439 1.549 0.133 0.477 1.000 0.636 CB 0.956 Z: 16 6.427 1.517 0.555 0.364 0.733 0.533 CB 1.109 12 residues pruned to eliminate duplicates Z: 17 12.297 1.759 0.811 0.581 0.875 0.438 CB 1.020 17 residues pruned to eliminate duplicates Z: 12 15.762 1.699 0.473 0.875 1.000 0.909 CB 1.381 12 residues pruned to eliminate duplicates Z: 20 10.495 1.831 0.769 0.347 0.789 0.368 CB 1.112 20 residues pruned to eliminate duplicates Z: 20 19.956 1.758 1.030 0.576 0.947 0.579 CB 1.259 19 residues pruned to eliminate duplicates Z: 7 6.361 1.438 0.421 0.763 1.000 0.500 CA 1.006 6 residues pruned to eliminate duplicates Z: 11 9.791 1.746 0.030 0.909 1.000 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 8 13.823 1.818 0.405 0.897 1.000 0.857 CB 1.464 8 residues pruned to eliminate duplicates Z: 17 19.308 1.720 0.744 0.864 1.000 0.875 CB 1.180 16 residues pruned to eliminate duplicates Z: 11 11.801 1.661 0.535 0.819 1.000 0.800 CB 1.110 9 residues pruned to eliminate duplicates Z: 12 5.792 1.462 0.472 0.481 0.909 0.545 CB 0.909 Z: 25 18.290 1.740 0.610 0.926 1.000 0.875 CB 0.935 26 residues pruned to eliminate duplicates Z: 7 5.517 1.788 0.593 0.302 0.667 0.667 N 1.478 7 residues pruned to eliminate duplicates Z: 11 13.622 1.718 0.333 0.869 1.000 0.900 CB 1.374 11 residues pruned to eliminate duplicates Z: 7 6.795 1.908 0.447 0.533 0.667 0.333 CA 1.459 6 residues pruned to eliminate duplicates 6 1.667 1.450 0.185 0.422 0.800 0.600 CB 0.588 ? Z: 12 16.248 1.798 0.629 0.916 0.909 0.909 CB 1.299 12 residues pruned to eliminate duplicates Z: 9 10.815 1.851 0.822 0.840 0.875 0.750 CB 0.967 9 residues pruned to eliminate duplicates Z: 11 7.684 1.447 0.451 0.876 1.000 0.800 CB 0.841 Z: 13 18.626 1.684 1.016 0.844 1.000 0.750 N 1.178 13 residues pruned to eliminate duplicates Z: 25 19.571 1.656 0.550 0.876 0.958 0.792 CB 1.180 25 residues pruned to eliminate duplicates Z: 23 16.408 1.962 0.583 0.569 0.818 0.591 CB 1.288 25 residues pruned to eliminate duplicates Z: 9 5.199 1.498 0.080 0.890 1.000 1.000 CB 0.817 Z: 18 5.540 1.566 0.514 0.349 0.824 0.471 CB 0.810 14 residues pruned to eliminate duplicates Z: 13 9.649 1.594 0.372 0.820 1.000 0.833 CB 0.965 13 residues pruned to eliminate duplicates Z: 12 4.494 1.615 0.361 0.330 0.909 0.364 CB 0.817 Z: 10 13.365 1.772 0.841 0.776 1.000 0.778 CB 1.071 10 residues pruned to eliminate duplicates Z: 12 16.501 1.709 0.585 0.850 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 16 19.152 1.813 0.486 0.919 1.000 0.933 CB 1.293 16 residues pruned to eliminate duplicates Z: 7 3.838 1.441 0.530 0.507 0.667 0.500 N 1.059 Z: 13 16.606 1.799 0.610 0.838 0.917 0.833 CB 1.350 13 residues pruned to eliminate duplicates Z: 6 3.188 1.481 0.257 0.770 0.800 0.800 CB 0.754 Z: 6 5.222 1.280 0.839 0.594 1.000 0.400 CA 0.907 Z: 25 15.482 1.571 0.406 0.809 0.917 0.792 CB 1.193 25 residues pruned to eliminate duplicates Z: 6 9.119 1.639 0.813 0.822 1.000 0.600 CB 1.038 Z: 11 12.850 1.862 0.271 0.881 0.900 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 8 11.032 1.818 0.447 0.854 0.857 0.857 CB 1.366 8 residues pruned to eliminate duplicates Z: 13 16.574 1.798 0.443 0.872 1.000 0.917 CB 1.345 13 residues pruned to eliminate duplicates Z: 8 7.986 1.703 0.580 0.800 1.000 0.571 CB 0.863 Z: 9 10.827 1.674 0.491 0.850 0.875 0.875 CB 1.298 9 residues pruned to eliminate duplicates Z: 27 17.475 1.696 0.683 0.849 0.885 0.885 CB 1.005 27 residues pruned to eliminate duplicates Z: 10 6.137 1.640 -0.126 0.838 1.000 0.778 CB 1.067 Z: 14 8.277 1.539 0.515 0.469 0.923 0.538 CB 1.101 12 residues pruned to eliminate duplicates 6 1.016 1.265 0.292 0.320 0.600 0.600 CB 0.565 ? Z: 21 20.856 1.722 0.653 0.894 1.000 0.800 CB 1.175 21 residues pruned to eliminate duplicates Z: 22 16.999 1.803 0.635 0.658 0.905 0.667 CB 1.201 22 residues pruned to eliminate duplicates Z: 8 6.066 1.527 0.672 0.798 0.714 0.571 CB 0.968 8 residues pruned to eliminate duplicates Z: 16 20.359 1.840 0.751 0.874 1.000 0.800 CB 1.187 16 residues pruned to eliminate duplicates Z: 12 13.929 1.734 0.471 0.867 1.000 0.909 CB 1.205 12 residues pruned to eliminate duplicates Z: 13 11.243 1.487 0.468 0.875 1.000 0.833 CB 1.081 8 residues pruned to eliminate duplicates Z: 12 16.012 1.770 0.715 0.822 0.909 0.545 CA 1.323 12 residues pruned to eliminate duplicates Z: 8 8.949 1.679 0.206 0.888 1.000 1.000 CB 1.203 10 residues pruned to eliminate duplicates Z: 13 20.541 1.859 0.430 0.913 1.000 0.833 CB 1.580 13 residues pruned to eliminate duplicates Z: 13 8.696 1.423 0.414 0.803 1.000 0.833 CB 0.957 11 residues pruned to eliminate duplicates Z: 13 21.858 1.746 0.835 0.895 1.000 0.583 CB 1.412 13 residues pruned to eliminate duplicates Z: 19 15.856 1.670 0.605 0.899 1.000 0.889 CB 0.996 19 residues pruned to eliminate duplicates Z: 7 2.074 1.518 -0.150 0.371 0.667 0.500 O 1.129 Z: 11 14.346 1.651 0.582 0.798 1.000 0.600 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 10.717 1.663 0.251 0.862 1.000 0.727 CB 1.140 12 residues pruned to eliminate duplicates Z: 10 15.240 1.722 0.719 0.882 1.000 0.556 CB 1.242 10 residues pruned to eliminate duplicates Z: 11 9.342 1.660 0.183 0.737 0.900 0.400 CB 1.352 11 residues pruned to eliminate duplicates Z: 13 10.317 1.691 0.244 0.880 1.000 1.000 CB 1.026 13 residues pruned to eliminate duplicates Z: 25 19.041 1.629 0.509 0.887 0.917 0.792 CB 1.244 25 residues pruned to eliminate duplicates Z: 10 7.614 1.597 0.355 0.761 0.889 0.667 CB 1.046 10 residues pruned to eliminate duplicates Z: 10 4.028 1.360 0.128 0.341 1.000 0.556 CB 1.040 Z: 7 5.120 1.544 0.169 0.824 1.000 0.833 CB 0.875 Z: 12 9.393 1.781 0.190 0.559 1.000 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 6 3.809 1.395 0.677 0.708 0.800 0.800 CB 0.754 Z: 10 12.505 1.721 0.565 0.783 1.000 0.444 CB 1.206 10 residues pruned to eliminate duplicates Z: 12 17.595 1.774 0.807 0.849 1.000 0.818 CB 1.227 12 residues pruned to eliminate duplicates 6 1.879 1.536 0.948 0.720 0.800 0.800 CB 0.288 ? Z: 13 15.203 1.614 0.674 0.910 1.000 0.833 CB 1.152 13 residues pruned to eliminate duplicates Z: 8 3.376 1.629 0.160 0.214 1.000 0.571 CB 0.946 Z: 6 6.536 1.623 0.576 0.824 1.000 0.600 CB 0.863 Z: 23 15.427 1.862 0.481 0.531 0.909 0.455 CB 1.272 21 residues pruned to eliminate duplicates Z: 7 6.296 1.532 0.415 0.555 0.833 0.500 O 1.349 Z: 6 2.905 1.434 0.222 0.286 0.800 0.800 O 1.179 Z: 10 8.857 1.702 0.669 0.641 0.778 0.444 N 1.172 10 residues pruned to eliminate duplicates Z: 17 12.861 1.488 0.738 0.863 0.938 0.375 CB 0.973 13 residues pruned to eliminate duplicates Z: 15 14.642 1.692 0.492 0.909 1.000 0.643 CB 1.100 15 residues pruned to eliminate duplicates Z: 15 15.570 1.686 0.492 0.891 1.000 0.929 CB 1.189 15 residues pruned to eliminate duplicates Z: 7 3.790 1.795 0.155 0.409 0.833 0.500 CB 0.985 7 residues pruned to eliminate duplicates Z: 15 16.895 1.752 0.755 0.862 0.857 0.286 N 1.257 15 residues pruned to eliminate duplicates 6 1.872 1.407 0.998 0.300 0.400 0.400 CB 0.930 ? Z: 19 10.927 1.729 0.203 0.878 0.944 0.778 CB 0.951 19 residues pruned to eliminate duplicates Z: 6 5.485 1.547 0.178 0.586 1.000 0.400 CB 1.240 Z: 7 2.055 1.491 -0.268 0.828 1.000 0.833 CB 0.579 7 residues pruned to eliminate duplicates Z: 8 3.855 1.500 0.473 0.298 0.714 0.429 CB 1.157 Z: 22 15.717 1.796 0.579 0.548 0.857 0.429 N 1.345 22 residues pruned to eliminate duplicates Z: 21 9.858 1.582 0.555 0.484 0.750 0.500 CB 1.214 12 residues pruned to eliminate duplicates Z: 10 10.836 1.587 0.389 0.903 1.000 0.778 CB 1.168 8 residues pruned to eliminate duplicates Z: 9 8.848 1.964 0.137 0.851 1.000 0.875 CB 1.037 9 residues pruned to eliminate duplicates Z: 8 3.588 1.566 0.580 0.279 0.714 0.286 CB 0.985 Z: 6 3.651 1.437 0.487 0.286 1.000 0.600 N 0.971 Z: 6 2.993 1.299 -0.220 0.758 1.000 0.800 C 1.050 Z: 10 7.822 1.493 0.636 0.868 0.889 0.778 CB 0.878 10 residues pruned to eliminate duplicates Z: 7 3.519 1.625 0.226 0.839 1.000 0.667 CB 0.538 Z: 14 13.668 1.594 0.658 0.919 1.000 0.769 CB 1.011 14 residues pruned to eliminate duplicates Z: 13 11.432 1.725 0.490 0.909 1.000 0.917 CB 0.911 13 residues pruned to eliminate duplicates Z: 12 5.336 1.542 0.381 0.374 0.818 0.545 CB 1.057 12 residues pruned to eliminate duplicates Z: 11 13.561 1.720 0.445 0.793 1.000 0.700 CB 1.334 11 residues pruned to eliminate duplicates Z: 20 16.845 1.871 0.506 0.629 0.895 0.632 CB 1.358 20 residues pruned to eliminate duplicates Z: 9 5.443 1.627 0.455 0.389 0.875 0.625 N 1.046 Z: 19 7.523 1.648 0.532 0.385 0.944 0.500 CB 0.840 11 residues pruned to eliminate duplicates Z: 10 2.518 1.565 0.230 0.300 0.556 0.444 N 0.981 10 residues pruned to eliminate duplicates Z: 9 9.322 1.498 0.722 0.847 0.875 0.750 N 1.084 9 residues pruned to eliminate duplicates 6 -0.072 0.945 0.205 0.818 1.000 0.600 CB-0.021 ? Z: 12 12.235 1.769 0.580 0.791 0.909 0.727 CB 1.124 12 residues pruned to eliminate duplicates 8 1.420 1.253 0.372 0.313 0.571 0.429 N 0.672 ? Z: 8 5.246 1.562 0.443 0.909 1.000 1.000 CB 0.625 7 1.181 1.370 0.512 0.249 0.500 0.333 N 0.622 ? 6 1.632 1.467 0.482 0.322 0.800 0.400 CB 0.510 ? Z: 15 23.513 1.811 0.876 0.909 1.000 0.643 CB 1.313 15 residues pruned to eliminate duplicates Z: 9 3.792 1.499 0.462 0.434 0.750 0.500 CB 0.873 10 residues pruned to eliminate duplicates Z: 11 6.609 1.599 0.211 0.855 1.000 0.600 CB 0.796 11 residues pruned to eliminate duplicates Z: 6 2.961 1.522 0.119 0.683 1.000 0.600 CB 0.658 Z: 11 9.743 1.617 0.412 0.820 1.000 0.700 CB 1.023 11 residues pruned to eliminate duplicates Z: 11 4.246 1.594 0.404 0.281 0.800 0.400 CB 0.960 11 residues pruned to eliminate duplicates Z: 26 14.741 1.641 0.328 0.912 1.000 0.680 CB 0.959 26 residues pruned to eliminate duplicates Z: 10 4.916 1.386 0.017 0.828 1.000 0.778 CB 0.875 9 residues pruned to eliminate duplicates Z: 8 6.272 1.401 0.410 0.670 1.000 0.429 CB 1.026 Z: 10 6.026 1.587 0.573 0.333 0.778 0.556 CB 1.242 9 residues pruned to eliminate duplicates Z: 12 6.972 1.746 0.500 0.491 0.909 0.727 CB 0.891 11 residues pruned to eliminate duplicates Z: 10 5.296 1.622 0.657 0.525 0.889 0.778 CB 0.721 7 residues pruned to eliminate duplicates Z: 10 7.001 1.664 0.041 0.566 1.000 1.000 CB 1.263 12 residues pruned to eliminate duplicates Z: 12 3.293 1.597 0.074 0.353 0.818 0.636 CB 0.830 Z: 6 2.793 1.647 0.628 0.295 0.600 0.400 CB 0.976 6 residues pruned to eliminate duplicates Z: 7 4.713 1.579 0.356 0.531 0.833 0.500 O 1.046 7 residues pruned to eliminate duplicates Z: 6 4.921 1.503 0.532 0.737 0.800 0.600 CB 0.965 6 1.052 1.128 0.867 0.319 0.800 0.400 N 0.341 ? Z: 11 8.106 1.576 0.010 0.886 1.000 0.900 CB 1.161 11 residues pruned to eliminate duplicates Z: 14 6.506 1.474 0.178 0.454 1.000 0.615 CB 1.089 10 residues pruned to eliminate duplicates Z: 10 10.037 1.519 0.592 0.897 1.000 1.000 CB 0.991 Z: 16 15.336 1.664 0.656 0.881 1.000 0.800 CB 1.040 16 residues pruned to eliminate duplicates Z: 11 6.256 1.558 0.057 0.882 1.000 1.000 CB 0.870 7 residues pruned to eliminate duplicates Z: 14 13.526 1.659 0.449 0.770 0.923 0.385 CB 1.331 14 residues pruned to eliminate duplicates Z: 14 15.133 1.789 0.375 0.936 1.000 1.000 CB 1.189 13 residues pruned to eliminate duplicates Z: 10 9.073 1.669 0.627 0.821 0.889 0.667 N 0.949 10 residues pruned to eliminate duplicates Z: 14 6.350 1.553 0.625 0.407 0.846 0.538 CB 0.909 14 residues pruned to eliminate duplicates Z: 19 14.614 1.710 0.765 0.914 0.889 0.556 CB 0.908 19 residues pruned to eliminate duplicates Z: 8 4.958 1.728 0.035 0.414 0.857 0.571 N 1.338 Z: 7 3.071 1.257 0.151 0.532 0.833 0.500 N 1.007 Z: 9 4.210 1.353 0.847 0.802 1.000 0.750 CB 0.457 Z: 7 6.891 1.553 0.334 0.756 0.833 0.667 CB 1.298 7 residues pruned to eliminate duplicates Z: 7 5.315 1.477 0.617 0.840 0.833 0.833 CB 0.813 7 residues pruned to eliminate duplicates Z: 14 10.784 1.540 0.177 0.880 1.000 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 6 4.471 1.424 0.334 0.645 0.800 0.600 O 1.149 6 residues pruned to eliminate duplicates Z: 13 16.367 1.791 0.406 0.875 1.000 0.833 CB 1.364 13 residues pruned to eliminate duplicates Z: 16 18.278 1.809 0.549 0.855 0.867 0.667 N 1.435 15 residues pruned to eliminate duplicates Z: 7 2.087 1.373 0.471 0.333 0.833 0.500 CB 0.608 Z: 10 14.902 1.855 0.733 0.860 1.000 1.000 CB 1.136 10 residues pruned to eliminate duplicates Z: 11 6.090 1.581 0.451 0.418 0.800 0.400 N 1.143 Z: 23 13.505 1.760 0.337 0.915 0.955 0.818 CB 0.906 23 residues pruned to eliminate duplicates Z: 10 11.664 1.776 0.140 0.854 1.000 0.889 N 1.418 10 residues pruned to eliminate duplicates Z: 11 6.972 1.920 0.439 0.379 0.900 0.500 CB 1.009 10 residues pruned to eliminate duplicates Z: 17 15.987 1.642 0.480 0.910 1.000 0.875 CB 1.166 17 residues pruned to eliminate duplicates 6 1.691 1.236 0.665 0.422 0.800 0.600 CB 0.498 ? Z: 7 6.050 1.683 0.132 0.643 0.833 0.833 N 1.360 8 residues pruned to eliminate duplicates Z: 9 2.410 1.477 0.505 0.271 0.500 0.375 CB 0.994 Z: 13 5.161 1.485 0.332 0.258 1.000 0.583 CB 0.993 8 residues pruned to eliminate duplicates Z: 12 11.806 1.680 0.268 0.875 1.000 1.000 CB 1.215 12 residues pruned to eliminate duplicates Z: 6 3.245 1.700 0.085 0.674 1.000 0.600 CB 0.670 Z: 11 5.659 1.484 0.529 0.824 0.900 0.700 CB 0.662 11 residues pruned to eliminate duplicates Z: 6 4.455 1.368 0.696 0.808 0.800 0.800 N 0.821 Z: 14 9.641 1.611 0.326 0.747 1.000 0.846 CB 1.004 14 residues pruned to eliminate duplicates Z: 11 3.187 1.540 0.357 0.162 0.800 0.300 CB 0.911 11 residues pruned to eliminate duplicates Z: 14 17.387 2.007 0.505 0.602 1.000 0.769 CB 1.448 14 residues pruned to eliminate duplicates Z: 6 4.411 1.646 0.212 0.481 0.800 0.800 CB 1.260 6 1.616 1.190 0.469 0.293 0.600 0.400 N 0.869 ? Z: 16 9.732 1.584 0.430 0.635 0.933 0.600 CB 1.047 16 residues pruned to eliminate duplicates Z: 8 4.594 1.685 -0.018 0.746 0.857 0.857 CB 0.983 8 residues pruned to eliminate duplicates 7 0.655 1.204 0.006 0.430 0.833 0.500 CB 0.285 ? Z: 11 9.701 1.726 0.282 0.678 0.900 0.500 CB 1.308 10 residues pruned to eliminate duplicates Z: 6 4.413 1.522 0.513 0.553 0.800 0.400 N 1.017 Z: 19 23.290 1.892 0.624 0.786 0.944 0.833 CB 1.471 19 residues pruned to eliminate duplicates Z: 8 4.749 1.640 0.601 0.875 1.000 0.571 CB 0.497 Z: 13 11.876 1.759 0.212 0.821 1.000 0.833 CB 1.217 13 residues pruned to eliminate duplicates Z: 18 15.028 1.876 0.669 0.465 0.941 0.588 CB 1.283 18 residues pruned to eliminate duplicates Z: 7 6.450 1.764 -0.021 0.829 1.000 1.000 CB 1.148 Z: 15 15.539 1.689 0.656 0.861 1.000 0.786 CB 1.091 15 residues pruned to eliminate duplicates Z: 11 4.271 1.769 0.257 0.132 0.800 0.300 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 16.962 1.766 0.292 0.896 1.000 0.917 O 1.537 13 residues pruned to eliminate duplicates Z: 18 15.589 1.705 1.131 0.586 1.000 0.706 CB 0.958 17 residues pruned to eliminate duplicates 6 1.765 1.262 0.509 0.429 0.800 0.400 O 0.558 ? Z: 21 13.008 1.792 0.429 0.605 0.800 0.550 CB 1.285 21 residues pruned to eliminate duplicates Z: 9 7.711 1.496 0.314 0.881 1.000 0.875 CB 1.004 9 residues pruned to eliminate duplicates Z: 17 10.784 1.661 1.037 0.645 0.875 0.438 CB 0.795 17 residues pruned to eliminate duplicates Z: 17 13.889 1.969 0.713 0.568 0.875 0.562 CB 1.101 17 residues pruned to eliminate duplicates Z: 19 16.103 1.809 0.433 0.687 0.889 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 13 11.047 1.623 0.340 0.859 0.833 0.667 N 1.294 13 residues pruned to eliminate duplicates Z: 15 12.500 1.512 0.620 0.838 1.000 0.714 CB 1.019 15 residues pruned to eliminate duplicates Z: 6 4.192 1.380 0.498 0.452 1.000 0.800 CB 0.953 Z: 13 10.300 1.533 0.567 0.854 0.917 0.667 N 0.997 13 residues pruned to eliminate duplicates Z: 9 2.639 1.468 0.083 0.319 0.875 0.500 N 0.819 9 residues pruned to eliminate duplicates Z: 8 4.599 1.426 0.292 0.451 1.000 0.714 CB 0.992 Z: 12 3.731 1.449 0.648 0.221 0.818 0.364 CB 0.798 Z: 16 26.376 1.852 0.771 0.914 1.000 0.867 CB 1.468 17 residues pruned to eliminate duplicates Z: 10 7.777 1.761 0.490 0.481 0.778 0.667 CB 1.295 17 residues pruned to eliminate duplicates Z: 9 8.891 1.655 0.455 0.763 0.875 0.750 CB 1.181 9 residues pruned to eliminate duplicates Z: 7 9.436 1.515 0.658 0.865 1.000 1.000 O 1.123 7 residues pruned to eliminate duplicates Z: 9 7.253 1.542 0.353 0.638 1.000 0.375 CB 1.080 Z: 6 2.369 1.517 0.714 0.329 0.800 0.600 CB 0.614 Z: 12 14.034 1.811 0.689 0.848 1.000 0.818 CB 1.026 12 residues pruned to eliminate duplicates Z: 9 4.894 1.464 0.678 0.876 1.000 0.750 CB 0.512 4 residues pruned to eliminate duplicates Z: 7 6.268 1.319 0.977 0.898 1.000 0.833 N 0.702 7 residues pruned to eliminate duplicates Z: 6 5.657 1.544 0.305 0.861 1.000 1.000 CB 0.922 6 residues pruned to eliminate duplicates Z: 11 7.424 1.411 0.240 0.779 1.000 0.800 CB 1.049 11 residues pruned to eliminate duplicates Z: 6 2.056 1.477 -0.044 0.687 1.000 0.600 CB 0.549 Z: 13 9.993 1.639 0.626 0.733 0.833 0.500 N 1.054 13 residues pruned to eliminate duplicates Z: 9 3.214 1.640 0.154 0.269 0.750 0.125 CB 1.042 8 residues pruned to eliminate duplicates Z: 11 8.914 1.851 0.374 0.842 1.000 0.700 CB 0.825 11 residues pruned to eliminate duplicates Z: 10 7.625 1.594 0.656 0.497 0.889 0.333 CB 1.085 14 residues pruned to eliminate duplicates Z: 14 7.776 1.680 0.532 0.410 0.769 0.692 CB 1.197 13 residues pruned to eliminate duplicates Z: 9 2.649 1.337 0.309 0.348 0.750 0.375 N 0.841 Z: 10 3.390 1.454 0.712 0.300 0.667 0.556 CB 0.852 Z: 11 4.657 1.604 0.416 0.356 0.700 0.400 CB 1.082 11 residues pruned to eliminate duplicates Z: 13 6.616 1.742 0.346 0.736 0.917 0.500 CB 0.719 13 residues pruned to eliminate duplicates Z: 13 12.194 1.524 0.703 0.825 1.000 0.750 CB 1.024 13 residues pruned to eliminate duplicates Z: 16 12.517 1.664 0.519 0.853 1.000 0.733 CB 0.945 16 residues pruned to eliminate duplicates Z: 7 4.005 1.588 0.927 0.461 0.833 0.667 CB 0.667 7 residues pruned to eliminate duplicates Z: 6 2.627 1.226 0.494 0.474 0.800 0.400 CB 0.823 Z: 7 3.002 1.541 0.638 0.260 0.500 0.500 N 1.277 Z: 6 4.418 1.386 0.355 0.823 0.800 0.600 N 0.994 Z: 11 10.240 1.734 0.402 0.849 1.000 0.900 CB 0.988 11 residues pruned to eliminate duplicates Z: 13 4.910 1.468 0.272 0.422 0.917 0.750 CB 0.899 13 residues pruned to eliminate duplicates Z: 8 4.569 1.693 -0.199 0.738 0.857 0.571 CB 1.200 Z: 11 13.864 1.632 0.782 0.884 1.000 0.800 CB 1.090 11 residues pruned to eliminate duplicates Z: 17 13.251 1.774 0.494 0.904 1.000 0.750 CB 0.890 17 residues pruned to eliminate duplicates Z: 24 20.059 1.899 0.675 0.523 0.957 0.522 CB 1.344 24 residues pruned to eliminate duplicates Z: 9 3.052 1.534 0.296 0.371 0.500 0.125 N 1.246 9 residues pruned to eliminate duplicates Z: 23 11.964 1.808 0.446 0.520 0.818 0.636 CB 1.168 23 residues pruned to eliminate duplicates Z: 6 4.711 1.371 0.744 0.488 1.000 0.600 O 0.892 Z: 12 5.461 1.448 0.506 0.707 0.909 0.545 CB 0.688 Z: 8 7.440 1.452 0.468 0.865 1.000 0.714 N 0.967 7 residues pruned to eliminate duplicates Z: 8 10.051 1.683 0.336 0.829 1.000 0.857 CA 1.271 8 residues pruned to eliminate duplicates Z: 23 19.514 1.703 0.726 0.666 1.000 0.682 CB 1.213 25 residues pruned to eliminate duplicates Z: 6 5.709 1.629 0.428 0.755 1.000 0.600 CB 0.875 6 residues pruned to eliminate duplicates 7 1.699 1.416 0.282 0.631 0.667 0.500 CB 0.507 ? Z: 11 7.472 1.502 0.071 0.855 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 23 14.752 1.745 0.423 0.908 1.000 0.864 CB 0.900 23 residues pruned to eliminate duplicates Z: 9 11.581 1.592 0.633 0.847 1.000 0.500 N 1.169 9 residues pruned to eliminate duplicates Z: 25 19.730 1.657 0.541 0.821 0.958 0.667 CB 1.245 33 residues pruned to eliminate duplicates Z: 13 6.796 1.331 0.495 0.822 0.833 0.583 CB 0.895 9 residues pruned to eliminate duplicates Z: 16 22.737 1.835 0.720 0.874 1.000 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 7 5.052 1.150 0.534 0.754 1.000 0.667 O 0.932 5 residues pruned to eliminate duplicates Z: 9 4.962 1.492 0.496 0.286 0.875 0.625 CB 1.142 Z: 10 12.426 1.695 0.387 0.848 0.889 0.667 CB 1.470 10 residues pruned to eliminate duplicates Z: 10 6.662 1.587 0.660 0.388 1.000 0.556 CB 0.949 8 residues pruned to eliminate duplicates Z: 6 2.067 1.481 -0.186 0.530 0.800 0.600 CB 0.931 Z: 11 17.004 1.844 0.669 0.911 1.000 1.000 N 1.238 11 residues pruned to eliminate duplicates Z: 6 9.609 1.649 0.420 0.728 1.000 0.800 N 1.494 6 residues pruned to eliminate duplicates Z: 12 8.734 1.511 0.514 0.832 0.818 0.818 N 1.056 12 residues pruned to eliminate duplicates Z: 11 6.561 1.626 0.731 0.447 1.000 0.700 CB 0.778 6 residues pruned to eliminate duplicates Z: 12 7.072 1.665 0.414 0.637 0.818 0.727 CB 0.973 12 residues pruned to eliminate duplicates Z: 9 8.044 1.537 0.710 0.838 0.875 0.750 N 0.924 9 residues pruned to eliminate duplicates Z: 6 7.346 1.657 0.486 0.864 1.000 0.800 CB 0.978 6 residues pruned to eliminate duplicates 8 1.909 1.162 0.868 0.214 0.571 0.286 CB 0.815 ? Z: 15 12.364 1.801 0.916 0.835 0.929 0.643 CB 0.772 20 residues pruned to eliminate duplicates 6 1.344 1.090 0.287 0.314 0.800 0.600 CB 0.658 ? Z: 23 10.301 1.596 0.336 0.535 0.864 0.500 CB 1.152 19 residues pruned to eliminate duplicates Z: 7 4.782 1.513 0.567 0.395 1.000 0.667 CB 0.920 Z: 7 2.965 1.364 0.693 0.398 0.833 0.500 CB 0.701 Z: 12 8.380 1.648 0.701 0.308 0.818 0.455 CB 1.363 13 residues pruned to eliminate duplicates Z: 8 5.020 1.483 0.483 0.404 0.857 0.571 N 1.114 Z: 8 2.884 1.327 0.438 0.303 0.714 0.286 O 0.997 Z: 14 11.111 1.749 0.499 0.766 0.923 0.692 CB 1.006 14 residues pruned to eliminate duplicates Z: 7 4.655 1.539 0.336 0.504 0.833 0.667 CB 1.105 Z: 7 2.094 1.381 0.245 0.313 0.667 0.333 O 0.917 Z: 7 5.952 1.833 0.681 0.830 0.833 0.833 CB 0.712 7 residues pruned to eliminate duplicates 9 1.880 1.468 0.245 0.550 0.500 0.375 CB 0.692 ? Z: 10 9.670 1.652 0.560 0.899 0.889 0.889 CB 1.005 10 residues pruned to eliminate duplicates Z: 8 4.034 1.451 0.126 0.628 1.000 0.714 CB 0.827 8 residues pruned to eliminate duplicates Z: 8 7.205 1.457 0.643 0.775 0.857 0.714 N 1.041 8 residues pruned to eliminate duplicates Z: 15 7.617 1.558 0.132 0.843 1.000 0.714 CB 0.860 15 residues pruned to eliminate duplicates Z: 8 11.027 1.705 0.464 0.750 1.000 1.000 CB 1.336 8 residues pruned to eliminate duplicates 6 1.039 1.254 0.236 0.332 0.600 0.400 CB 0.600 ? Z: 8 2.566 1.574 0.398 0.248 0.571 0.143 CB 1.031 Z: 11 16.403 1.813 0.458 0.860 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 28 17.860 1.557 0.653 0.920 1.000 0.815 CB 0.941 19 residues pruned to eliminate duplicates Z: 8 6.856 1.505 0.675 0.817 1.000 1.000 CB 0.780 8 residues pruned to eliminate duplicates Z: 17 9.250 1.599 0.676 0.474 0.812 0.375 CB 1.090 17 residues pruned to eliminate duplicates Z: 9 5.150 1.395 0.441 0.848 1.000 0.875 CB 0.672 9 residues pruned to eliminate duplicates Z: 9 4.273 1.496 0.466 0.322 0.875 0.625 CB 0.958 Z: 13 8.481 1.666 0.287 0.363 0.917 0.417 CB 1.443 14 residues pruned to eliminate duplicates Z: 7 3.657 1.706 0.545 0.875 1.000 1.000 CB 0.412 7 residues pruned to eliminate duplicates Z: 9 2.474 1.616 -0.005 0.095 0.875 0.125 CB 1.045 9 residues pruned to eliminate duplicates Z: 7 5.038 1.385 0.313 0.744 1.000 0.667 CA 0.909 Z: 14 6.336 1.454 0.506 0.463 0.846 0.308 N 0.985 Z: 24 16.054 1.609 0.665 0.895 0.870 0.739 CB 1.030 24 residues pruned to eliminate duplicates Z: 6 2.454 1.343 0.384 0.409 0.800 0.400 N 0.812 4 residues pruned to eliminate duplicates Z: 12 16.358 1.906 0.283 0.849 1.000 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 19 12.092 1.613 0.830 0.575 0.889 0.667 CB 1.011 19 residues pruned to eliminate duplicates Z: 6 5.469 1.461 0.564 0.865 1.000 0.800 CB 0.784 Z: 25 17.107 1.732 0.561 0.885 0.958 0.750 CB 0.973 25 residues pruned to eliminate duplicates Z: 6 11.087 1.641 0.641 0.868 1.000 1.000 CA 1.346 6 residues pruned to eliminate duplicates Z: 14 8.666 1.575 0.456 0.858 0.923 0.846 CB 0.836 14 residues pruned to eliminate duplicates Z: 6 2.076 1.250 0.160 0.402 1.000 0.600 N 0.710 Z: 6 3.648 1.447 0.465 0.265 0.800 0.400 N 1.258 Z: 6 2.141 1.278 0.529 0.307 0.600 0.600 CA 1.012 Z: 6 2.286 1.325 0.417 0.460 0.600 0.400 N 0.945 Z: 10 13.653 1.813 1.020 0.859 0.889 0.556 CB 1.029 10 residues pruned to eliminate duplicates Z: 6 2.282 1.449 0.283 0.620 1.000 0.800 CB 0.490 Z: 7 5.367 1.735 0.334 0.498 1.000 0.667 CB 0.949 Z: 16 12.636 1.646 0.691 0.907 1.000 0.867 CB 0.833 16 residues pruned to eliminate duplicates Z: 23 21.059 1.743 0.692 0.926 1.000 0.818 CB 1.068 24 residues pruned to eliminate duplicates Z: 12 9.528 1.422 0.347 0.899 1.000 0.909 CB 1.072 12 residues pruned to eliminate duplicates Z: 9 8.578 1.410 0.315 0.893 1.000 0.875 CB 1.174 Z: 9 6.479 1.440 0.664 0.608 0.875 0.500 CB 0.986 8 residues pruned to eliminate duplicates Z: 9 4.878 1.401 0.291 0.489 0.875 0.750 CB 1.102 9 residues pruned to eliminate duplicates Z: 9 5.497 1.537 0.438 0.705 0.875 0.750 CB 0.834 6 residues pruned to eliminate duplicates Z: 24 13.709 1.882 0.621 0.464 0.826 0.565 CB 1.176 24 residues pruned to eliminate duplicates Z: 10 4.225 1.467 0.346 0.433 1.000 0.444 CB 0.764 10 residues pruned to eliminate duplicates Z: 21 14.502 1.872 0.660 0.445 0.850 0.500 CB 1.300 22 residues pruned to eliminate duplicates Z: 8 3.717 1.389 0.114 0.498 0.857 0.571 CB 1.062 Z: 8 8.926 1.486 0.794 0.814 1.000 0.857 CB 0.963 8 residues pruned to eliminate duplicates Z: 8 3.424 1.326 -0.077 0.502 1.000 0.571 CB 1.055 Z: 8 2.896 1.535 0.385 0.347 0.714 0.571 CB 0.851 Z: 14 14.155 1.608 0.579 0.903 1.000 0.846 CB 1.102 14 residues pruned to eliminate duplicates Z: 22 20.667 1.984 0.659 0.582 1.000 0.714 CB 1.265 22 residues pruned to eliminate duplicates Z: 7 3.214 1.500 0.021 0.704 1.000 0.500 CB 0.712 Z: 6 2.352 1.658 0.381 0.295 0.600 0.400 CB 0.963 Z: 6 7.110 1.493 0.516 0.866 1.000 0.800 N 1.029 Z: 20 14.223 1.574 0.460 0.799 0.842 0.526 CB 1.298 20 residues pruned to eliminate duplicates Z: 7 3.662 1.252 0.387 0.809 0.833 0.833 CB 0.789 Z: 7 5.768 1.688 0.310 0.595 0.833 0.667 CB 1.166 6 1.921 1.378 0.278 0.570 0.800 0.800 CB 0.570 ? Z: 7 2.844 1.346 0.343 0.361 0.833 0.500 CB 0.895 Z: 6 2.804 1.507 0.323 0.415 0.600 0.400 N 1.145 Z: 7 2.742 1.112 0.304 0.497 1.000 0.667 C 0.774 Z: 8 5.964 1.610 0.451 0.510 0.857 0.571 N 1.115 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.543 1.667 0.013 0.327 0.800 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 6 3.938 1.657 0.146 0.516 0.800 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 6 5.445 1.632 0.257 0.581 1.000 0.600 CB 1.098 6 residues pruned to eliminate duplicates Z: 8 4.408 1.612 0.153 0.396 0.857 0.286 CB 1.168 14 residues pruned to eliminate duplicates Z: 12 13.606 1.553 0.635 0.862 0.909 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 12 11.691 1.628 0.583 0.824 0.909 0.727 CB 1.137 12 residues pruned to eliminate duplicates Z: 13 13.643 1.679 0.496 0.722 1.000 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 14 12.168 1.603 0.660 0.711 0.846 0.769 CB 1.238 12 residues pruned to eliminate duplicates Z: 10 15.679 1.865 0.531 0.887 1.000 0.778 CB 1.319 10 residues pruned to eliminate duplicates Z: 11 15.601 1.723 0.624 0.892 1.000 0.800 CB 1.266 11 residues pruned to eliminate duplicates Z: 12 10.056 1.681 0.576 0.719 0.727 0.545 N 1.290 12 residues pruned to eliminate duplicates Z: 12 9.247 1.607 0.753 0.503 0.818 0.636 CB 1.205 12 residues pruned to eliminate duplicates Z: 8 10.677 1.811 0.446 0.812 1.000 0.714 CB 1.175 8 residues pruned to eliminate duplicates Z: 7 10.733 1.826 0.438 0.875 1.000 1.000 CB 1.213 7 residues pruned to eliminate duplicates Z: 24 18.366 1.825 0.745 0.573 0.957 0.565 CB 1.171 35 residues pruned to eliminate duplicates Z: 14 22.166 1.970 0.647 0.808 1.000 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 23 16.079 1.800 0.490 0.537 1.000 0.682 CB 1.232 23 residues pruned to eliminate duplicates Z: 18 14.931 1.891 0.465 0.664 0.882 0.706 CB 1.274 18 residues pruned to eliminate duplicates Z: 25 17.431 1.894 0.583 0.494 0.917 0.792 CB 1.302 15 residues pruned to eliminate duplicates Z: 12 27.051 1.965 0.969 0.817 1.000 0.545 CB 1.601 12 residues pruned to eliminate duplicates Z: 23 22.561 1.934 0.798 0.606 0.955 0.545 CB 1.310 33 residues pruned to eliminate duplicates Z: 14 24.631 1.866 0.839 0.851 1.000 0.769 CB 1.473 14 residues pruned to eliminate duplicates Z: 25 16.259 1.867 0.551 0.519 0.833 0.583 CB 1.349 25 residues pruned to eliminate duplicates Z: 19 19.806 1.921 0.839 0.637 0.889 0.611 CB 1.308 19 residues pruned to eliminate duplicates Z: 17 18.633 1.910 0.664 0.655 0.875 0.688 CB 1.451 24 residues pruned to eliminate duplicates Z: 14 23.642 1.889 0.796 0.804 1.000 0.692 CB 1.483 14 residues pruned to eliminate duplicates Z: 15 22.144 1.831 0.673 0.817 1.000 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 26 17.972 1.886 0.681 0.523 0.840 0.680 CB 1.320 17 residues pruned to eliminate duplicates Z: 16 20.650 1.957 0.793 0.687 0.933 0.667 CB 1.371 16 residues pruned to eliminate duplicates Z: 9 7.207 1.772 0.721 0.374 1.000 0.750 CB 0.957 10 residues pruned to eliminate duplicates Z: 6 4.600 1.554 0.480 0.293 1.000 0.800 N 1.129 6 residues pruned to eliminate duplicates Z: 28 12.894 1.741 0.584 0.381 0.852 0.593 CB 1.199 28 residues pruned to eliminate duplicates Z: 11 5.859 1.711 0.247 0.274 0.900 0.500 CB 1.246 11 residues pruned to eliminate duplicates Z: 21 19.805 1.958 0.526 0.583 0.950 0.600 CB 1.441 21 residues pruned to eliminate duplicates Z: 15 11.203 1.649 0.250 0.837 1.000 0.714 CB 1.087 15 residues pruned to eliminate duplicates Z: 11 9.514 1.538 0.273 0.789 1.000 0.900 CB 1.192 11 residues pruned to eliminate duplicates Z: 13 7.171 1.458 0.448 0.584 0.833 0.500 CB 1.085 13 residues pruned to eliminate duplicates Z: 17 10.236 1.606 0.240 0.799 1.000 0.812 CB 0.989 17 residues pruned to eliminate duplicates Z: 15 10.603 1.597 0.426 0.718 0.857 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 17 10.682 1.587 0.704 0.726 1.000 0.688 CB 0.806 17 residues pruned to eliminate duplicates Z: 16 9.703 1.604 0.553 0.752 0.933 0.600 CB 0.861 16 residues pruned to eliminate duplicates Z: 19 13.222 1.661 0.455 0.851 0.944 0.778 CB 1.010 19 residues pruned to eliminate duplicates Z: 18 15.707 1.661 0.609 0.806 1.000 0.882 CB 1.091 18 residues pruned to eliminate duplicates Z: 17 12.427 1.539 0.685 0.721 1.000 0.688 CB 0.981 17 residues pruned to eliminate duplicates Z: 18 16.884 1.676 0.745 0.852 0.941 0.647 CB 1.101 18 residues pruned to eliminate duplicates Z: 14 12.317 1.626 0.723 0.762 1.000 0.923 CB 0.966 14 residues pruned to eliminate duplicates Z: 20 14.839 1.636 0.703 0.837 0.947 0.737 CB 0.965 20 residues pruned to eliminate duplicates Z: 22 15.394 1.639 0.759 0.830 1.000 0.714 CB 0.876 22 residues pruned to eliminate duplicates Z: 21 16.459 1.638 0.657 0.892 1.000 0.950 CB 0.973 21 residues pruned to eliminate duplicates Z: 22 15.032 1.638 0.810 0.817 0.952 0.762 CB 0.882 22 residues pruned to eliminate duplicates Z: 12 5.105 1.556 0.713 0.368 0.727 0.545 CB 0.915 12 residues pruned to eliminate duplicates Z: 15 8.955 1.607 0.732 0.628 0.857 0.500 CB 0.890 15 residues pruned to eliminate duplicates Z: 28 11.044 1.510 0.582 0.676 0.889 0.630 CB 0.851 28 residues pruned to eliminate duplicates Z: 6 2.908 1.487 0.376 0.736 0.600 0.600 CB 0.858 6 residues pruned to eliminate duplicates Z: 18 8.721 1.595 0.203 0.542 1.000 0.647 CB 1.059 18 residues pruned to eliminate duplicates Z: 6 4.177 1.549 0.376 0.797 1.000 0.800 CB 0.676 6 residues pruned to eliminate duplicates Z: 15 5.944 1.440 0.337 0.522 0.857 0.571 CB 0.942 15 residues pruned to eliminate duplicates Z: 12 4.765 1.512 0.311 0.667 0.909 0.818 CB 0.683 12 residues pruned to eliminate duplicates Z: 14 6.531 1.548 0.032 0.501 1.000 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 15 8.641 1.559 0.206 0.551 0.929 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 10 5.232 1.482 0.316 0.543 0.889 0.667 CB 0.964 10 residues pruned to eliminate duplicates Z: 29 10.770 1.590 0.414 0.589 0.821 0.536 CB 1.012 29 residues pruned to eliminate duplicates Z: 18 7.890 1.593 0.237 0.520 0.941 0.706 CB 1.012 18 residues pruned to eliminate duplicates Z: 9 6.077 1.737 -0.001 0.488 1.000 0.875 CB 1.254 9 residues pruned to eliminate duplicates Z: 8 5.102 1.723 0.006 0.433 1.000 1.000 CB 1.193 8 residues pruned to eliminate duplicates Z: 29 15.058 1.622 0.511 0.566 0.929 0.607 CB 1.173 30 residues pruned to eliminate duplicates Z: 6 6.685 1.656 0.906 0.301 0.800 0.400 N 1.477 6 residues pruned to eliminate duplicates Z: 8 6.495 1.773 0.567 0.403 0.857 0.571 CB 1.141 8 residues pruned to eliminate duplicates Z: 13 9.266 1.756 0.740 0.433 0.917 0.417 CB 1.023 13 residues pruned to eliminate duplicates Z: 7 4.842 1.461 0.341 0.653 0.833 0.500 CB 1.050 7 residues pruned to eliminate duplicates Z: 12 8.445 1.533 0.542 0.684 0.818 0.364 CB 1.112 11 residues pruned to eliminate duplicates Z: 25 13.570 1.703 0.363 0.890 0.958 0.792 CB 0.896 25 residues pruned to eliminate duplicates Z: 26 11.518 1.536 0.449 0.640 0.920 0.560 CB 0.987 35 residues pruned to eliminate duplicates Z: 21 12.819 1.717 0.361 0.892 1.000 0.800 CB 0.881 21 residues pruned to eliminate duplicates Z: 15 7.097 1.537 0.505 0.579 0.786 0.571 CB 0.967 15 residues pruned to eliminate duplicates Z: 17 13.776 1.788 0.524 0.920 1.000 0.812 CB 0.890 17 residues pruned to eliminate duplicates Z: 21 11.829 1.730 0.439 0.781 0.950 0.800 CB 0.873 21 residues pruned to eliminate duplicates Z: 16 12.949 1.830 0.545 0.905 1.000 0.933 CB 0.842 16 residues pruned to eliminate duplicates Z: 19 16.103 1.797 0.586 0.850 1.000 0.889 CB 0.986 19 residues pruned to eliminate duplicates Z: 15 10.383 1.738 0.560 0.708 1.000 0.714 CB 0.847 15 residues pruned to eliminate duplicates Z: 18 11.441 1.740 0.379 0.821 0.941 0.647 CB 0.930 18 residues pruned to eliminate duplicates Z: 15 14.765 1.779 0.673 0.917 1.000 0.857 CB 0.935 15 residues pruned to eliminate duplicates Z: 21 15.581 1.794 0.403 0.941 1.000 0.900 CB 0.960 21 residues pruned to eliminate duplicates Z: 23 17.412 1.744 0.562 0.869 0.955 0.682 CB 1.043 23 residues pruned to eliminate duplicates Z: 22 19.356 1.802 0.592 0.897 0.952 0.905 CB 1.107 22 residues pruned to eliminate duplicates Z: 22 20.311 1.795 0.624 0.899 1.000 0.905 CB 1.087 22 residues pruned to eliminate duplicates Z: 17 12.997 1.755 0.491 0.830 1.000 0.750 CB 0.934 17 residues pruned to eliminate duplicates Z: 22 15.351 1.765 0.477 0.896 0.952 0.857 CB 0.967 22 residues pruned to eliminate duplicates Z: 20 18.687 1.805 0.639 0.936 1.000 1.000 CB 1.009 20 residues pruned to eliminate duplicates Z: 21 17.875 1.796 0.594 0.904 1.000 0.850 CB 0.994 21 residues pruned to eliminate duplicates Z: 24 14.515 1.710 0.703 0.763 0.870 0.739 CB 0.947 24 residues pruned to eliminate duplicates Z: 22 19.969 1.799 0.734 0.870 0.952 0.952 CB 1.071 22 residues pruned to eliminate duplicates Z: 30 17.478 1.649 0.675 0.781 0.897 0.552 CB 1.023 29 residues pruned to eliminate duplicates Z: 19 15.478 1.692 0.744 0.781 0.944 0.778 CB 1.022 19 residues pruned to eliminate duplicates Z: 11 6.537 1.819 0.180 0.403 0.900 0.500 CB 1.186 10 residues pruned to eliminate duplicates Z: 6 4.045 1.834 0.196 0.423 0.800 0.200 CA 1.117 6 residues pruned to eliminate duplicates Z: 28 14.287 1.900 0.429 0.470 0.778 0.444 CB 1.342 28 residues pruned to eliminate duplicates Z: 33 16.516 1.790 0.476 0.472 0.938 0.531 CB 1.213 33 residues pruned to eliminate duplicates Z: 22 17.635 1.927 0.574 0.506 0.905 0.524 CB 1.393 22 residues pruned to eliminate duplicates Z: 21 18.765 1.865 0.571 0.544 1.000 0.650 CB 1.372 21 residues pruned to eliminate duplicates Z: 29 15.110 1.889 0.513 0.422 0.821 0.536 CB 1.319 29 residues pruned to eliminate duplicates Z: 26 16.883 1.877 0.522 0.496 0.840 0.560 CB 1.413 28 residues pruned to eliminate duplicates Z: 10 17.686 1.848 0.986 0.783 0.778 0.667 N 1.609 10 residues pruned to eliminate duplicates Z: 17 6.458 1.694 0.433 0.404 0.750 0.438 CB 0.981 17 residues pruned to eliminate duplicates Z: 22 20.237 1.978 0.612 0.588 0.952 0.524 CB 1.336 22 residues pruned to eliminate duplicates Z: 25 18.734 1.914 0.625 0.545 0.875 0.583 CB 1.345 25 residues pruned to eliminate duplicates Z: 27 18.371 1.896 0.682 0.524 0.885 0.577 CB 1.247 27 residues pruned to eliminate duplicates Z: 23 18.362 1.932 0.650 0.500 0.909 0.409 CB 1.351 23 residues pruned to eliminate duplicates Z: 33 16.589 1.870 0.546 0.463 0.875 0.375 CB 1.204 24 residues pruned to eliminate duplicates Z: 6 2.944 1.543 0.281 0.322 1.000 0.600 CB 0.810 6 residues pruned to eliminate duplicates Z: 22 14.641 1.869 0.589 0.480 0.905 0.571 CB 1.214 22 residues pruned to eliminate duplicates Z: 41 19.278 1.829 0.583 0.510 0.875 0.450 CB 1.192 70 residues pruned to eliminate duplicates Z: 6 2.792 1.364 -0.020 0.440 1.000 0.600 N 0.994 6 residues pruned to eliminate duplicates Z: 10 4.978 1.584 0.316 0.357 0.778 0.333 N 1.194 10 residues pruned to eliminate duplicates Z: 10 5.063 1.581 0.266 0.330 0.889 0.333 CB 1.142 10 residues pruned to eliminate duplicates Z: 25 10.071 1.740 0.376 0.372 0.875 0.625 CB 1.125 25 residues pruned to eliminate duplicates Z: 12 5.098 1.621 0.390 0.335 0.727 0.545 CB 1.124 12 residues pruned to eliminate duplicates Z: 37 17.458 1.841 0.518 0.482 0.861 0.583 CB 1.232 36 residues pruned to eliminate duplicates Z: 11 15.599 1.780 0.577 0.905 1.000 0.900 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 8.313 1.693 0.573 0.681 0.909 0.818 CB 0.876 12 residues pruned to eliminate duplicates Z: 14 10.046 1.744 0.536 0.559 0.846 0.615 CB 1.161 14 residues pruned to eliminate duplicates Z: 13 13.744 1.774 0.556 0.773 0.917 0.833 CB 1.232 13 residues pruned to eliminate duplicates Z: 13 13.660 1.820 0.700 0.744 0.917 0.667 CB 1.118 13 residues pruned to eliminate duplicates Z: 14 14.396 1.804 0.588 0.695 0.923 0.692 CB 1.263 14 residues pruned to eliminate duplicates Z: 14 15.651 1.830 0.698 0.755 0.923 0.769 CB 1.206 14 residues pruned to eliminate duplicates Z: 13 16.126 1.805 0.577 0.813 1.000 0.750 CB 1.245 13 residues pruned to eliminate duplicates Z: 7 2.772 1.711 0.318 0.083 0.667 0.500 N 1.290 7 residues pruned to eliminate duplicates Z: 15 15.154 1.630 0.618 0.897 1.000 0.786 CB 1.099 15 residues pruned to eliminate duplicates Z: 20 13.460 1.579 0.662 0.683 0.895 0.474 CB 1.112 20 residues pruned to eliminate duplicates Z: 16 16.154 1.623 0.767 0.876 0.933 0.800 CB 1.132 15 residues pruned to eliminate duplicates Z: 16 13.446 1.622 0.604 0.861 0.933 0.667 CB 1.051 16 residues pruned to eliminate duplicates Z: 22 16.451 1.560 0.648 0.908 1.000 0.762 CB 0.992 22 residues pruned to eliminate duplicates Z: 15 16.090 1.633 0.672 0.896 1.000 0.643 CB 1.128 15 residues pruned to eliminate duplicates Z: 15 15.130 1.634 0.789 0.824 0.857 0.571 CB 1.219 15 residues pruned to eliminate duplicates Z: 13 14.517 1.663 0.600 0.895 1.000 0.833 N 1.129 13 residues pruned to eliminate duplicates Z: 12 14.399 1.622 0.867 0.857 0.909 0.727 N 1.162 12 residues pruned to eliminate duplicates Z: 16 17.951 1.678 0.805 0.846 1.000 0.600 CB 1.137 17 residues pruned to eliminate duplicates Z: 16 15.247 1.617 0.765 0.845 0.933 0.467 CB 1.099 16 residues pruned to eliminate duplicates Z: 20 17.220 1.673 0.647 0.912 0.947 0.684 CB 1.072 20 residues pruned to eliminate duplicates Z: 21 14.998 1.675 0.725 0.866 0.850 0.650 CB 1.000 21 residues pruned to eliminate duplicates Z: 22 16.513 1.686 0.703 0.901 0.857 0.571 CB 1.045 22 residues pruned to eliminate duplicates Z: 19 15.709 1.615 0.605 0.880 1.000 0.667 CB 1.035 19 residues pruned to eliminate duplicates Z: 21 18.708 1.707 0.783 0.930 0.950 0.800 CB 1.012 21 residues pruned to eliminate duplicates Z: 23 19.014 1.577 0.801 0.867 1.000 0.773 CB 1.044 23 residues pruned to eliminate duplicates Z: 22 22.373 1.675 0.915 0.888 1.000 0.667 CB 1.097 22 residues pruned to eliminate duplicates Z: 19 21.013 1.706 0.934 0.928 0.889 0.833 CB 1.183 19 residues pruned to eliminate duplicates Z: 20 21.682 1.678 0.952 0.922 0.947 0.737 CB 1.127 20 residues pruned to eliminate duplicates Z: 15 13.687 1.849 0.560 0.772 0.929 0.786 CB 1.074 14 residues pruned to eliminate duplicates Z: 12 12.759 1.766 0.433 0.874 1.000 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 24 13.006 1.661 0.667 0.563 0.870 0.609 CB 1.060 24 residues pruned to eliminate duplicates Z: 12 17.672 1.787 0.531 0.873 1.000 0.636 CA 1.419 12 residues pruned to eliminate duplicates Z: 14 16.700 1.850 0.843 0.738 0.923 0.615 CB 1.188 14 residues pruned to eliminate duplicates Z: 15 15.450 1.768 0.750 0.761 1.000 0.714 CB 1.058 15 residues pruned to eliminate duplicates Z: 19 15.951 1.763 0.593 0.683 0.944 0.611 CB 1.198 13 residues pruned to eliminate duplicates Z: 11 19.167 1.919 0.484 0.933 1.000 1.000 CB 1.485 11 residues pruned to eliminate duplicates Z: 15 14.321 1.811 0.554 0.700 1.000 0.571 CB 1.133 15 residues pruned to eliminate duplicates Z: 19 12.993 1.773 0.598 0.568 0.889 0.722 CB 1.139 19 residues pruned to eliminate duplicates Z: 20 16.086 1.777 0.530 0.680 0.947 0.737 CB 1.214 20 residues pruned to eliminate duplicates Z: 12 18.026 1.862 0.558 0.904 1.000 0.727 CB 1.334 12 residues pruned to eliminate duplicates Z: 15 12.113 1.809 0.538 0.708 0.857 0.643 CB 1.124 15 residues pruned to eliminate duplicates Z: 24 12.501 1.787 0.628 0.507 0.826 0.435 CB 1.077 24 residues pruned to eliminate duplicates Z: 22 13.512 1.756 0.821 0.467 0.810 0.667 CB 1.178 22 residues pruned to eliminate duplicates Z: 25 12.927 1.697 0.792 0.520 0.833 0.500 CB 1.021 25 residues pruned to eliminate duplicates Z: 10 10.644 1.742 0.781 0.434 0.889 0.556 N 1.378 10 residues pruned to eliminate duplicates Z: 8 8.240 1.649 0.548 0.819 0.857 0.286 CB 1.079 8 residues pruned to eliminate duplicates Z: 8 4.744 1.515 0.434 0.761 0.714 0.571 CB 0.917 8 residues pruned to eliminate duplicates Z: 20 10.079 1.719 0.404 0.516 0.789 0.421 CB 1.195 17 residues pruned to eliminate duplicates Z: 10 9.238 1.636 0.346 0.874 1.000 0.667 CB 1.018 10 residues pruned to eliminate duplicates Z: 21 8.996 1.711 0.338 0.465 0.850 0.400 CB 1.071 21 residues pruned to eliminate duplicates Z: 19 10.882 1.641 0.337 0.613 0.889 0.500 CB 1.182 19 residues pruned to eliminate duplicates Z: 13 6.493 1.726 0.161 0.565 0.833 0.500 CB 1.055 13 residues pruned to eliminate duplicates Z: 8 5.288 1.931 0.233 0.416 0.857 0.571 CB 1.068 14 residues pruned to eliminate duplicates Z: 7 5.968 1.482 0.663 0.420 1.000 0.500 CA 1.074 7 residues pruned to eliminate duplicates Z: 7 4.767 1.863 0.232 0.370 0.833 0.833 CB 1.169 7 residues pruned to eliminate duplicates Z: 7 5.225 1.687 0.654 0.441 0.667 0.667 CB 1.219 7 residues pruned to eliminate duplicates Z: 15 22.412 1.866 0.605 0.870 1.000 0.786 CB 1.460 15 residues pruned to eliminate duplicates Z: 22 16.244 1.694 0.661 0.622 0.810 0.571 CB 1.388 22 residues pruned to eliminate duplicates Z: 17 23.314 1.833 0.587 0.822 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 17 16.699 1.850 0.443 0.779 0.875 0.812 CB 1.397 17 residues pruned to eliminate duplicates Z: 35 22.560 1.791 0.589 0.680 0.912 0.706 CB 1.264 36 residues pruned to eliminate duplicates Z: 14 25.158 1.916 0.851 0.893 1.000 0.923 CB 1.413 14 residues pruned to eliminate duplicates Z: 16 24.589 1.812 0.742 0.836 1.000 0.867 CB 1.506 15 residues pruned to eliminate duplicates Z: 16 23.186 1.884 0.637 0.846 0.933 0.867 CB 1.545 16 residues pruned to eliminate duplicates Z: 17 20.964 1.844 0.546 0.801 0.938 0.625 CB 1.506 17 residues pruned to eliminate duplicates Z: 16 21.265 1.802 0.518 0.857 1.000 0.933 CB 1.479 16 residues pruned to eliminate duplicates Z: 17 20.538 1.778 0.660 0.772 0.938 0.750 CB 1.459 17 residues pruned to eliminate duplicates Z: 17 20.339 1.830 0.628 0.793 0.938 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 16 24.583 1.840 0.738 0.822 1.000 0.800 CB 1.501 16 residues pruned to eliminate duplicates Z: 15 22.701 1.889 0.687 0.845 0.929 0.929 CB 1.524 15 residues pruned to eliminate duplicates Z: 18 18.769 1.774 0.684 0.761 0.824 0.824 N 1.467 18 residues pruned to eliminate duplicates Z: 31 21.891 1.754 0.431 0.804 0.933 0.767 CB 1.308 31 residues pruned to eliminate duplicates Z: 17 18.607 1.796 0.546 0.810 0.938 0.688 CB 1.364 17 residues pruned to eliminate duplicates Z: 11 8.565 1.528 0.947 0.710 0.800 0.600 CB 0.941 11 residues pruned to eliminate duplicates Z: 17 21.201 1.854 0.690 0.891 0.938 0.625 CB 1.297 17 residues pruned to eliminate duplicates Z: 13 13.939 1.802 0.612 0.745 0.917 0.833 CA 1.215 13 residues pruned to eliminate duplicates Z: 22 11.243 1.582 0.764 0.568 0.810 0.333 CB 1.017 22 residues pruned to eliminate duplicates Z: 18 10.773 1.549 0.584 0.549 0.882 0.529 CB 1.150 18 residues pruned to eliminate duplicates Z: 20 18.680 1.757 0.790 0.771 0.842 0.842 N 1.274 22 residues pruned to eliminate duplicates Z: 14 13.318 1.737 0.552 0.874 0.846 0.385 CB 1.179 14 residues pruned to eliminate duplicates Z: 10 6.270 1.693 0.553 0.471 0.667 0.222 N 1.227 10 residues pruned to eliminate duplicates Z: 22 22.046 1.827 0.719 0.843 0.905 0.714 CB 1.260 22 residues pruned to eliminate duplicates Z: 22 19.479 1.812 0.725 0.858 0.905 0.667 CB 1.107 21 residues pruned to eliminate duplicates Z: 22 17.917 1.753 0.680 0.811 0.905 0.714 CB 1.119 22 residues pruned to eliminate duplicates Z: 17 20.084 1.800 0.734 0.856 0.875 0.750 CB 1.356 17 residues pruned to eliminate duplicates Z: 24 25.617 1.839 0.742 0.856 0.957 0.870 CB 1.286 24 residues pruned to eliminate duplicates Z: 19 17.861 1.899 0.569 0.785 0.889 0.611 CB 1.236 19 residues pruned to eliminate duplicates Z: 18 20.086 1.869 0.699 0.880 0.941 0.765 CB 1.181 18 residues pruned to eliminate duplicates Z: 21 15.903 1.705 0.816 0.821 0.800 0.550 CB 1.087 21 residues pruned to eliminate duplicates Z: 19 20.317 1.851 0.684 0.828 0.889 0.611 CB 1.301 19 residues pruned to eliminate duplicates Z: 24 17.698 1.792 0.678 0.715 0.870 0.609 CB 1.161 24 residues pruned to eliminate duplicates Z: 23 24.691 1.821 0.890 0.879 0.909 0.682 CB 1.220 23 residues pruned to eliminate duplicates Z: 21 18.437 1.813 0.737 0.783 0.850 0.600 CB 1.200 21 residues pruned to eliminate duplicates Z: 21 15.166 1.811 0.597 0.723 0.800 0.550 CB 1.198 21 residues pruned to eliminate duplicates 7 1.272 1.508 0.402 0.088 0.500 0.000 CB 0.835 ? Z: 7 9.802 1.657 0.741 0.656 1.000 0.667 CB 1.200 Z: 9 10.621 1.560 0.737 0.836 1.000 1.000 O 1.037 7 residues pruned to eliminate duplicates Z: 11 10.693 1.539 0.760 0.830 0.900 0.900 CB 1.044 8 residues pruned to eliminate duplicates Z: 9 11.578 1.556 0.891 0.806 1.000 0.625 CB 1.065 9 residues pruned to eliminate duplicates Z: 10 11.802 1.572 0.630 0.889 1.000 0.889 O 1.105 10 residues pruned to eliminate duplicates Z: 8 3.934 1.350 0.515 0.504 0.857 0.429 CB 0.845 7 residues pruned to eliminate duplicates Z: 10 12.301 1.636 0.538 0.877 1.000 0.889 CB 1.183 12 residues pruned to eliminate duplicates Z: 11 11.424 1.543 0.621 0.861 1.000 0.800 CB 1.061 10 residues pruned to eliminate duplicates Z: 11 12.075 1.558 0.618 0.851 1.000 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 10 8.582 1.440 0.634 0.823 0.889 0.667 N 1.034 10 residues pruned to eliminate duplicates Z: 6 5.514 1.615 0.141 0.759 1.000 0.400 CB 1.062 6 residues pruned to eliminate duplicates Z: 9 8.713 1.653 0.255 0.668 1.000 0.375 CB 1.271 9 residues pruned to eliminate duplicates Z: 9 7.681 1.491 0.330 0.644 1.000 0.625 CB 1.197 9 residues pruned to eliminate duplicates Z: 11 4.523 1.498 0.088 0.631 0.900 0.600 CB 0.862 11 residues pruned to eliminate duplicates Z: 11 6.463 1.603 0.395 0.564 0.800 0.400 N 1.074 11 residues pruned to eliminate duplicates Z: 10 7.648 1.593 0.339 0.657 1.000 0.667 CB 1.033 10 residues pruned to eliminate duplicates Z: 18 10.019 1.386 0.633 0.647 0.941 0.588 CB 0.994 18 residues pruned to eliminate duplicates Z: 16 8.137 1.494 0.459 0.544 0.867 0.533 CB 1.065 16 residues pruned to eliminate duplicates Z: 10 5.019 1.415 0.666 0.473 0.778 0.333 CB 0.937 10 residues pruned to eliminate duplicates Z: 14 6.249 1.488 0.623 0.719 0.692 0.538 N 0.850 14 residues pruned to eliminate duplicates Z: 7 2.458 1.220 0.219 0.469 0.833 0.333 N 0.836 Z: 15 10.084 1.395 0.581 0.805 0.857 0.571 N 1.092 16 residues pruned to eliminate duplicates Z: 12 8.590 1.444 0.487 0.792 0.909 0.636 CB 1.027 12 residues pruned to eliminate duplicates Z: 10 6.980 1.541 0.409 0.774 0.778 0.444 N 1.081 10 residues pruned to eliminate duplicates Z: 6 10.228 1.602 0.731 0.803 1.000 0.800 CB 1.266 6 residues pruned to eliminate duplicates Z: 6 9.670 1.610 0.600 0.779 1.000 0.800 O 1.312 6 residues pruned to eliminate duplicates Z: 6 10.034 1.591 0.744 0.801 1.000 0.800 O 1.243 6 residues pruned to eliminate duplicates Z: 7 8.165 1.447 0.541 0.852 1.000 0.667 N 1.105 7 residues pruned to eliminate duplicates Z: 7 5.330 1.416 0.637 0.683 0.833 0.333 CB 0.953 7 residues pruned to eliminate duplicates Z: 6 7.308 1.708 0.154 0.856 1.000 1.000 O 1.223 Z: 7 7.382 1.480 0.437 0.804 1.000 1.000 CB 1.087 6 residues pruned to eliminate duplicates Z: 9 6.056 1.293 0.441 0.809 1.000 0.875 O 0.877 8 residues pruned to eliminate duplicates Z: 7 7.586 1.506 0.471 0.759 1.000 0.500 N 1.110 7 residues pruned to eliminate duplicates Z: 12 12.388 1.737 0.392 0.689 0.909 0.727 N 1.429 12 residues pruned to eliminate duplicates Z: 12 14.729 1.821 0.421 0.667 1.000 0.727 N 1.471 12 residues pruned to eliminate duplicates Z: 9 11.753 1.662 0.540 0.879 0.875 0.625 CA 1.346 9 residues pruned to eliminate duplicates Z: 19 10.318 1.665 0.349 0.532 0.944 0.667 CB 1.111 19 residues pruned to eliminate duplicates Z: 12 13.918 1.827 0.610 0.584 0.909 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 13 14.371 1.766 0.573 0.549 1.000 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 16 10.257 1.702 0.395 0.471 0.933 0.733 N 1.231 12 residues pruned to eliminate duplicates Z: 12 13.027 1.570 0.630 0.819 1.000 0.636 N 1.164 12 residues pruned to eliminate duplicates Z: 14 14.719 1.718 0.489 0.742 1.000 0.615 CB 1.285 14 residues pruned to eliminate duplicates Z: 6 2.807 1.349 0.447 0.645 1.000 0.800 CB 0.562 Z: 10 12.140 1.680 0.314 0.901 1.000 1.000 CA 1.309 10 residues pruned to eliminate duplicates Z: 15 9.337 1.735 0.424 0.711 0.929 0.786 CB 0.898 26 residues pruned to eliminate duplicates Z: 11 9.699 1.640 0.372 0.861 0.900 0.800 CB 1.113 11 residues pruned to eliminate duplicates Z: 8 6.961 1.810 0.030 0.859 1.000 0.857 CB 1.039 8 residues pruned to eliminate duplicates Z: 18 9.354 1.685 0.369 0.644 0.824 0.647 CB 1.044 17 residues pruned to eliminate duplicates Z: 9 12.557 1.692 0.631 0.870 1.000 1.000 CB 1.174 9 residues pruned to eliminate duplicates Z: 16 12.233 1.695 0.609 0.650 1.000 0.667 CB 1.007 16 residues pruned to eliminate duplicates Z: 19 10.919 1.627 0.626 0.528 0.833 0.611 CB 1.136 22 residues pruned to eliminate duplicates Z: 9 10.608 1.686 0.502 0.839 0.875 0.875 CB 1.264 9 residues pruned to eliminate duplicates Z: 19 11.211 1.690 0.584 0.613 0.889 0.778 CB 0.998 19 residues pruned to eliminate duplicates Z: 20 12.188 1.587 0.619 0.578 0.947 0.684 CB 1.066 20 residues pruned to eliminate duplicates 6 0.400 1.693 0.022 0.579 0.800 0.600 CB 0.120 ? Z: 18 11.640 1.700 0.698 0.676 0.941 0.588 CB 0.884 18 residues pruned to eliminate duplicates Z: 15 4.380 1.631 0.415 0.237 0.643 0.429 CB 1.070 15 residues pruned to eliminate duplicates Z: 14 8.458 1.777 0.457 0.543 0.923 0.615 CB 0.941 14 residues pruned to eliminate duplicates Z: 32 15.221 1.741 0.593 0.543 0.871 0.581 CB 1.084 35 residues pruned to eliminate duplicates Z: 7 10.570 1.841 0.420 0.872 1.000 0.833 CB 1.203 7 residues pruned to eliminate duplicates Z: 11 7.831 1.818 0.453 0.738 1.000 0.800 CB 0.757 11 residues pruned to eliminate duplicates Z: 16 11.721 1.718 0.554 0.670 0.867 0.600 CA 1.118 16 residues pruned to eliminate duplicates Z: 23 14.287 1.729 0.652 0.584 0.955 0.591 CB 1.031 23 residues pruned to eliminate duplicates Z: 24 11.513 1.675 0.522 0.545 0.826 0.478 CB 1.091 24 residues pruned to eliminate duplicates Z: 25 15.268 1.662 0.751 0.510 0.917 0.542 CB 1.156 25 residues pruned to eliminate duplicates Z: 18 15.691 1.816 0.624 0.655 0.941 0.706 CB 1.187 18 residues pruned to eliminate duplicates Z: 17 14.017 1.691 0.435 0.664 1.000 0.688 CA 1.241 17 residues pruned to eliminate duplicates Z: 21 11.310 1.706 0.580 0.618 0.900 0.450 CB 0.932 21 residues pruned to eliminate duplicates Z: 21 13.831 1.754 0.618 0.593 0.900 0.650 CB 1.108 21 residues pruned to eliminate duplicates Z: 24 11.342 1.772 0.715 0.501 0.783 0.696 CB 0.993 24 residues pruned to eliminate duplicates Z: 21 15.500 1.765 0.647 0.536 0.950 0.700 CB 1.211 21 residues pruned to eliminate duplicates Z: 15 3.929 1.605 0.315 0.331 0.929 0.429 CB 0.645 15 residues pruned to eliminate duplicates Z: 8 3.864 1.611 0.330 0.377 1.000 0.571 CB 0.777 8 residues pruned to eliminate duplicates Z: 7 3.816 1.639 0.122 0.365 1.000 0.667 CB 0.979 7 residues pruned to eliminate duplicates Z: 8 3.457 1.573 0.286 0.360 0.857 0.571 CB 0.876 8 residues pruned to eliminate duplicates Z: 33 14.735 1.725 0.623 0.506 0.906 0.531 CB 1.021 33 residues pruned to eliminate duplicates Z: 15 5.526 1.656 0.303 0.288 0.857 0.500 CB 1.013 15 residues pruned to eliminate duplicates Z: 13 6.147 1.659 0.321 0.347 0.917 0.417 CB 1.043 13 residues pruned to eliminate duplicates Z: 16 4.314 1.631 0.243 0.307 0.867 0.467 CB 0.786 16 residues pruned to eliminate duplicates Z: 13 3.949 1.651 0.366 0.376 0.833 0.417 CB 0.692 13 residues pruned to eliminate duplicates Z: 29 13.451 1.722 0.670 0.480 0.929 0.536 CB 0.972 29 residues pruned to eliminate duplicates Z: 6 3.421 1.691 0.268 0.371 1.000 0.200 CB 0.819 6 residues pruned to eliminate duplicates Z: 12 4.266 1.460 0.229 0.486 0.818 0.455 CB 0.889 13 residues pruned to eliminate duplicates Z: 13 24.422 1.955 0.813 0.805 1.000 0.667 CB 1.524 13 residues pruned to eliminate duplicates Z: 14 6.893 1.504 0.628 0.397 0.923 0.462 N 0.943 14 residues pruned to eliminate duplicates Z: 13 15.475 1.852 0.471 0.708 0.917 0.583 CA 1.481 13 residues pruned to eliminate duplicates Z: 13 5.266 1.650 0.251 0.460 0.917 0.500 CB 0.837 13 residues pruned to eliminate duplicates Z: 15 19.309 1.806 0.568 0.733 1.000 0.786 N 1.478 14 residues pruned to eliminate duplicates Z: 12 18.346 1.907 0.581 0.848 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 26 16.638 1.809 0.600 0.612 0.840 0.520 CB 1.231 16 residues pruned to eliminate duplicates Z: 12 16.887 1.911 0.574 0.823 0.909 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 14 19.211 1.901 0.837 0.718 1.000 0.538 CB 1.253 14 residues pruned to eliminate duplicates Z: 11 21.354 2.009 0.645 0.877 1.000 0.900 CB 1.485 11 residues pruned to eliminate duplicates Z: 14 15.385 1.882 0.434 0.745 0.923 0.846 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 16.244 1.887 0.537 0.829 0.917 0.917 CB 1.327 13 residues pruned to eliminate duplicates Z: 19 12.322 1.737 0.317 0.685 0.889 0.500 CB 1.205 19 residues pruned to eliminate duplicates Z: 13 16.263 1.800 0.512 0.904 1.000 0.917 CB 1.229 13 residues pruned to eliminate duplicates Z: 13 11.698 1.654 0.502 0.685 0.917 0.333 CB 1.250 13 residues pruned to eliminate duplicates Z: 12 16.253 1.796 0.681 0.843 0.909 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 15 13.124 1.772 0.493 0.571 0.857 0.571 CB 1.445 15 residues pruned to eliminate duplicates Z: 13 10.127 1.680 0.379 0.636 0.917 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 22 16.811 1.786 0.345 0.711 1.000 0.762 CB 1.261 22 residues pruned to eliminate duplicates Z: 27 15.860 1.798 0.420 0.670 0.923 0.731 CB 1.128 27 residues pruned to eliminate duplicates Z: 13 15.436 1.831 0.575 0.902 0.917 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 16 17.404 1.806 0.553 0.749 0.933 0.800 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 13.109 1.841 0.413 0.699 0.857 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 21 16.253 1.807 0.481 0.730 1.000 0.850 CB 1.105 21 residues pruned to eliminate duplicates Z: 16 17.357 1.846 0.603 0.766 1.000 0.800 CB 1.196 16 residues pruned to eliminate duplicates Z: 25 18.161 1.837 0.433 0.685 0.958 0.625 CB 1.240 25 residues pruned to eliminate duplicates Z: 10 8.338 1.545 0.375 0.888 1.000 0.667 CB 0.943 9 residues pruned to eliminate duplicates Z: 7 5.696 1.449 0.368 0.760 0.833 0.667 CB 1.118 7 residues pruned to eliminate duplicates Z: 41 16.328 1.672 0.395 0.646 0.900 0.625 CB 1.073 37 residues pruned to eliminate duplicates Z: 11 8.811 1.473 0.533 0.925 1.000 0.700 CB 0.866 12 residues pruned to eliminate duplicates Z: 12 8.041 1.417 0.317 0.913 1.000 0.909 CB 0.919 11 residues pruned to eliminate duplicates Z: 11 7.336 1.475 0.302 0.898 1.000 0.900 CB 0.864 11 residues pruned to eliminate duplicates Z: 6 6.558 1.555 0.607 0.432 1.000 1.000 CA 1.259 6 residues pruned to eliminate duplicates Z: 8 5.965 1.753 0.208 0.491 0.857 0.571 CB 1.254 7 residues pruned to eliminate duplicates Z: 7 6.672 1.488 0.338 0.681 1.000 0.500 O 1.159 7 residues pruned to eliminate duplicates Z: 7 4.434 1.493 0.088 0.718 0.833 0.500 CB 1.098 7 residues pruned to eliminate duplicates Z: 13 6.401 1.601 0.271 0.502 0.750 0.500 CB 1.208 13 residues pruned to eliminate duplicates Z: 16 7.868 1.650 0.276 0.507 0.800 0.533 CB 1.198 16 residues pruned to eliminate duplicates Z: 15 10.350 1.655 0.456 0.470 0.929 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 14 9.055 1.602 0.512 0.475 0.846 0.692 CB 1.257 14 residues pruned to eliminate duplicates Z: 14 8.194 1.657 0.464 0.515 0.846 0.385 CB 1.090 14 residues pruned to eliminate duplicates Z: 22 9.175 1.675 0.370 0.522 0.762 0.476 CB 1.121 22 residues pruned to eliminate duplicates Z: 9 7.564 1.740 0.417 0.750 0.875 0.625 CB 0.992 9 residues pruned to eliminate duplicates Z: 8 8.324 1.803 0.599 0.816 0.857 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 9 6.604 1.640 0.386 0.712 0.875 0.625 CB 0.969 Z: 8 7.538 1.754 0.169 0.858 1.000 0.857 CB 1.023 17 residues pruned to eliminate duplicates Z: 19 9.902 1.724 0.751 0.450 0.722 0.611 CB 1.128 19 residues pruned to eliminate duplicates Z: 10 11.781 1.766 1.093 0.500 1.000 0.778 CB 1.062 10 residues pruned to eliminate duplicates Z: 18 13.662 1.746 1.091 0.535 1.000 0.471 CB 0.876 18 residues pruned to eliminate duplicates Z: 15 16.723 1.821 1.191 0.650 1.000 0.786 CB 0.974 18 residues pruned to eliminate duplicates Z: 10 5.427 1.507 1.037 0.519 0.778 0.444 CB 0.743 10 residues pruned to eliminate duplicates Z: 11 9.483 1.725 0.718 0.509 0.800 0.500 CB 1.254 11 residues pruned to eliminate duplicates Z: 12 10.954 1.798 0.759 0.539 0.727 0.364 CB 1.382 12 residues pruned to eliminate duplicates Z: 14 7.226 1.737 0.434 0.348 0.923 0.538 CB 1.029 14 residues pruned to eliminate duplicates 6 1.786 1.269 0.818 0.344 0.600 0.600 CA 0.683 ? Z: 13 15.097 1.817 0.236 0.859 1.000 0.833 CB 1.428 12 residues pruned to eliminate duplicates Z: 13 13.088 1.818 0.186 0.854 0.917 0.750 CB 1.412 13 residues pruned to eliminate duplicates Z: 14 15.475 1.729 0.264 0.870 1.000 0.923 CB 1.434 14 residues pruned to eliminate duplicates Z: 15 13.144 1.686 0.443 0.689 0.857 0.643 N 1.417 15 residues pruned to eliminate duplicates Z: 11 15.042 1.837 0.209 0.883 1.000 0.800 CB 1.548 11 residues pruned to eliminate duplicates Z: 14 11.987 1.787 0.319 0.744 0.846 0.692 N 1.340 14 residues pruned to eliminate duplicates Z: 12 16.696 1.841 0.272 0.833 1.000 0.636 N 1.612 12 residues pruned to eliminate duplicates Z: 14 14.297 1.763 0.295 0.738 0.923 0.769 N 1.520 14 residues pruned to eliminate duplicates Z: 13 13.883 1.773 0.439 0.771 0.833 0.667 N 1.482 13 residues pruned to eliminate duplicates Z: 14 11.628 1.798 0.433 0.605 0.769 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 14 13.006 1.744 0.219 0.778 0.923 0.615 N 1.439 14 residues pruned to eliminate duplicates Z: 14 17.127 1.720 0.355 0.856 1.000 0.846 CB 1.503 20 residues pruned to eliminate duplicates Z: 13 18.138 1.724 0.472 0.881 1.000 0.833 CB 1.494 13 residues pruned to eliminate duplicates Z: 6 3.603 1.403 0.256 0.647 0.800 0.200 N 0.997 5 residues pruned to eliminate duplicates Z: 7 8.620 1.521 0.611 0.824 1.000 0.833 CB 1.084 7 residues pruned to eliminate duplicates Z: 7 8.322 1.419 0.679 0.814 1.000 0.833 CB 1.085 7 residues pruned to eliminate duplicates Z: 7 7.483 1.368 0.787 0.855 0.833 0.667 N 1.107 6 residues pruned to eliminate duplicates Z: 6 7.405 1.431 0.987 0.864 1.000 0.600 CB 0.854 7 residues pruned to eliminate duplicates Z: 10 9.340 1.446 0.885 0.727 1.000 0.778 CB 0.930 7 residues pruned to eliminate duplicates Z: 12 12.038 1.716 0.542 0.722 1.000 0.545 CB 1.123 12 residues pruned to eliminate duplicates Z: 7 4.313 1.878 0.210 0.441 0.833 0.333 CB 0.988 7 residues pruned to eliminate duplicates Z: 13 13.041 1.806 0.670 0.657 0.917 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 20 12.506 1.990 0.323 0.556 0.895 0.632 CB 1.153 20 residues pruned to eliminate duplicates Z: 22 10.962 1.939 0.354 0.570 0.810 0.476 CB 1.052 22 residues pruned to eliminate duplicates Z: 20 21.179 2.056 0.566 0.630 1.000 0.684 CB 1.335 20 residues pruned to eliminate duplicates Z: 20 13.327 1.934 0.441 0.605 0.895 0.474 CB 1.110 20 residues pruned to eliminate duplicates Z: 19 18.137 2.045 0.446 0.629 0.944 0.667 CB 1.355 19 residues pruned to eliminate duplicates Z: 23 19.769 2.028 0.638 0.536 0.909 0.682 CB 1.347 23 residues pruned to eliminate duplicates Z: 23 15.175 1.938 0.365 0.567 0.955 0.682 CB 1.201 23 residues pruned to eliminate duplicates Z: 24 16.451 1.907 0.612 0.519 0.913 0.565 CB 1.199 24 residues pruned to eliminate duplicates Z: 18 14.689 2.057 0.429 0.500 0.882 0.471 CB 1.374 18 residues pruned to eliminate duplicates Z: 24 12.252 1.821 0.422 0.495 0.913 0.522 CB 1.085 24 residues pruned to eliminate duplicates Z: 25 15.247 1.920 0.465 0.535 0.792 0.458 CB 1.350 25 residues pruned to eliminate duplicates Z: 22 19.424 2.010 0.579 0.591 0.905 0.571 CB 1.354 22 residues pruned to eliminate duplicates Z: 22 16.045 2.007 0.527 0.530 0.905 0.619 CB 1.226 22 residues pruned to eliminate duplicates Z: 22 16.191 2.030 0.454 0.577 0.905 0.667 CB 1.229 22 residues pruned to eliminate duplicates Z: 24 17.547 1.961 0.582 0.466 0.913 0.565 CB 1.337 24 residues pruned to eliminate duplicates Z: 23 17.220 1.960 0.649 0.533 0.955 0.545 CB 1.151 23 residues pruned to eliminate duplicates Z: 23 18.922 1.958 0.563 0.590 0.955 0.682 CB 1.267 23 residues pruned to eliminate duplicates Z: 23 19.055 2.022 0.646 0.534 0.955 0.636 CB 1.237 23 residues pruned to eliminate duplicates Z: 24 18.301 2.006 0.555 0.505 0.913 0.609 CB 1.332 24 residues pruned to eliminate duplicates Z: 24 16.025 1.962 0.557 0.487 0.870 0.478 CB 1.275 24 residues pruned to eliminate duplicates Z: 23 16.816 1.974 0.563 0.492 0.909 0.500 CB 1.289 23 residues pruned to eliminate duplicates Z: 25 16.249 1.954 0.627 0.477 0.875 0.583 CB 1.220 25 residues pruned to eliminate duplicates Z: 25 12.259 1.704 0.498 0.467 0.917 0.417 CB 1.106 25 residues pruned to eliminate duplicates Z: 18 15.833 1.840 0.469 0.561 0.941 0.412 CB 1.423 15 residues pruned to eliminate duplicates Z: 12 15.366 1.806 0.708 0.833 0.909 0.636 N 1.239 12 residues pruned to eliminate duplicates Z: 30 14.359 1.725 0.700 0.463 0.759 0.414 CB 1.245 24 residues pruned to eliminate duplicates Z: 11 15.463 1.797 0.998 0.806 0.900 0.500 N 1.158 11 residues pruned to eliminate duplicates Z: 17 9.379 1.797 0.272 0.547 0.812 0.438 CB 1.205 17 residues pruned to eliminate duplicates Z: 19 16.374 1.840 0.480 0.660 0.944 0.444 CB 1.294 19 residues pruned to eliminate duplicates Z: 19 13.434 1.827 0.434 0.566 0.889 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 27 19.722 1.825 0.662 0.558 0.962 0.692 CB 1.253 32 residues pruned to eliminate duplicates Z: 13 18.801 1.825 0.416 0.924 1.000 0.917 N 1.474 13 residues pruned to eliminate duplicates Z: 24 22.804 1.818 0.648 0.596 0.957 0.783 CB 1.515 34 residues pruned to eliminate duplicates Z: 13 19.485 1.841 0.560 0.874 1.000 0.917 CB 1.425 13 residues pruned to eliminate duplicates Z: 14 18.892 1.855 0.437 0.775 1.000 0.923 CA 1.541 14 residues pruned to eliminate duplicates Z: 24 12.696 1.794 0.607 0.482 0.913 0.696 CB 1.024 24 residues pruned to eliminate duplicates Z: 22 19.000 1.782 0.511 0.636 1.000 0.810 CB 1.355 22 residues pruned to eliminate duplicates Z: 27 21.797 1.829 0.701 0.578 0.962 0.692 CB 1.326 26 residues pruned to eliminate duplicates Z: 6 3.994 1.222 0.685 0.381 1.000 0.600 CA 0.985 6 residues pruned to eliminate duplicates Z: 27 16.449 1.827 0.457 0.563 0.962 0.615 CB 1.186 27 residues pruned to eliminate duplicates Z: 25 17.037 1.829 0.480 0.593 0.875 0.792 CB 1.343 25 residues pruned to eliminate duplicates Z: 51 21.274 1.843 0.457 0.527 0.880 0.540 CB 1.239 47 residues pruned to eliminate duplicates Z: 6 3.551 1.252 0.887 0.331 0.800 0.600 N 1.011 6 residues pruned to eliminate duplicates Z: 17 7.513 1.798 0.302 0.220 0.875 0.438 CB 1.274 9 residues pruned to eliminate duplicates Z: 6 4.259 1.549 0.275 0.450 1.000 0.000 CB 1.015 6 residues pruned to eliminate duplicates Z: 13 4.492 1.834 0.314 0.104 0.750 0.250 CB 1.188 13 residues pruned to eliminate duplicates Z: 20 6.813 1.755 0.441 0.158 0.789 0.263 CB 1.191 23 residues pruned to eliminate duplicates Z: 7 2.011 1.523 0.162 0.288 0.667 0.333 CB 0.883 7 residues pruned to eliminate duplicates Z: 33 16.423 1.805 0.484 0.440 0.844 0.531 CB 1.366 33 residues pruned to eliminate duplicates Z: 23 10.031 1.701 0.475 0.261 0.909 0.318 CB 1.232 29 residues pruned to eliminate duplicates Z: 16 9.522 1.752 0.124 0.796 0.933 0.733 CB 1.032 13 residues pruned to eliminate duplicates Z: 15 9.765 1.742 0.264 0.771 1.000 0.786 CB 0.932 15 residues pruned to eliminate duplicates Z: 10 5.400 1.666 0.146 0.504 1.000 0.667 CB 0.939 9 residues pruned to eliminate duplicates Z: 15 11.505 1.713 0.200 0.902 1.000 0.786 CB 1.067 15 residues pruned to eliminate duplicates Z: 24 7.526 1.655 0.330 0.438 0.783 0.522 CB 0.971 28 residues pruned to eliminate duplicates Z: 9 10.084 1.695 0.562 0.864 1.000 0.625 CB 0.987 9 residues pruned to eliminate duplicates Z: 23 10.215 1.693 0.569 0.518 0.909 0.500 CB 0.886 23 residues pruned to eliminate duplicates Z: 14 10.045 1.653 0.583 0.666 0.923 0.538 CB 0.989 14 residues pruned to eliminate duplicates Z: 18 14.747 1.773 0.532 0.677 0.941 0.529 CB 1.188 25 residues pruned to eliminate duplicates Z: 13 15.564 1.742 0.581 0.883 1.000 0.833 CB 1.179 13 residues pruned to eliminate duplicates Z: 17 13.566 1.829 0.383 0.739 0.875 0.750 CB 1.237 17 residues pruned to eliminate duplicates Z: 18 11.655 1.743 0.510 0.634 0.882 0.647 CB 1.073 18 residues pruned to eliminate duplicates Z: 22 12.271 1.690 0.436 0.630 0.857 0.571 CB 1.140 22 residues pruned to eliminate duplicates Z: 11 4.611 1.600 0.633 0.301 0.700 0.100 CB 0.996 11 residues pruned to eliminate duplicates Z: 20 11.740 1.739 0.437 0.637 0.842 0.579 CB 1.126 20 residues pruned to eliminate duplicates Z: 19 10.349 1.776 0.354 0.663 0.889 0.778 CB 0.981 19 residues pruned to eliminate duplicates Z: 23 7.316 1.748 0.474 0.417 0.682 0.318 CB 0.968 19 residues pruned to eliminate duplicates Z: 6 5.992 1.430 1.063 0.492 0.800 0.200 CB 1.145 Z: 7 5.393 1.220 0.478 0.769 1.000 0.667 N 0.962 Z: 6 5.816 1.376 0.383 0.837 1.000 0.800 CB 1.022 7 residues pruned to eliminate duplicates Z: 7 5.489 1.258 0.364 0.787 1.000 0.833 CA 1.015 7 residues pruned to eliminate duplicates Z: 13 4.716 1.454 0.058 0.515 0.917 0.750 CB 0.951 8 residues pruned to eliminate duplicates Z: 12 9.994 1.595 0.571 0.777 0.818 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 17 9.891 1.506 0.612 0.838 0.938 0.625 CB 0.812 17 residues pruned to eliminate duplicates Z: 10 9.862 1.678 0.649 0.689 1.000 0.556 CB 0.999 10 residues pruned to eliminate duplicates Z: 10 9.803 1.721 0.574 0.781 0.889 0.444 CB 1.059 10 residues pruned to eliminate duplicates Z: 10 13.448 1.758 0.631 0.883 1.000 0.667 CB 1.130 10 residues pruned to eliminate duplicates Z: 15 12.775 1.602 0.672 0.722 0.929 0.643 CB 1.124 15 residues pruned to eliminate duplicates Z: 16 10.838 1.628 0.550 0.738 0.867 0.533 CB 1.033 16 residues pruned to eliminate duplicates Z: 14 14.571 1.643 0.741 0.783 1.000 0.769 CB 1.101 15 residues pruned to eliminate duplicates Z: 13 15.436 1.669 0.769 0.862 1.000 0.500 CB 1.108 14 residues pruned to eliminate duplicates Z: 16 13.517 1.518 0.789 0.877 1.000 0.467 CB 0.933 15 residues pruned to eliminate duplicates Z: 14 11.088 1.582 0.668 0.782 0.923 0.692 CB 0.986 14 residues pruned to eliminate duplicates Z: 20 9.982 1.575 0.486 0.700 0.789 0.737 CB 1.033 14 residues pruned to eliminate duplicates Z: 13 10.908 1.650 0.598 0.849 0.833 0.500 CB 1.062 13 residues pruned to eliminate duplicates Z: 6 5.997 1.494 0.282 0.814 1.000 1.000 CB 1.066 6 residues pruned to eliminate duplicates Z: 6 2.383 1.463 0.110 0.671 0.800 0.600 CB 0.701 6 residues pruned to eliminate duplicates Z: 7 3.510 1.527 0.406 0.632 0.833 0.667 CB 0.707 5 residues pruned to eliminate duplicates Z: 6 2.605 1.482 0.254 0.424 1.000 0.400 CB 0.679 6 residues pruned to eliminate duplicates Z: 19 11.606 1.813 0.461 0.532 0.833 0.556 CB 1.201 19 residues pruned to eliminate duplicates Z: 21 18.946 1.903 0.537 0.631 1.000 0.750 CB 1.280 26 residues pruned to eliminate duplicates Z: 14 14.283 1.758 0.522 0.767 0.923 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 13 11.433 1.952 0.293 0.621 0.917 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 13 12.672 1.907 0.574 0.538 0.833 0.500 CB 1.409 13 residues pruned to eliminate duplicates Z: 23 17.240 1.876 0.715 0.538 0.909 0.591 CB 1.211 23 residues pruned to eliminate duplicates Z: 11 17.484 1.924 0.515 0.860 1.000 0.700 N 1.395 15 residues pruned to eliminate duplicates Z: 10 18.393 1.873 0.648 0.893 1.000 0.667 N 1.425 10 residues pruned to eliminate duplicates Z: 13 13.547 1.654 0.490 0.770 1.000 0.583 CB 1.249 13 residues pruned to eliminate duplicates Z: 25 18.425 1.824 0.750 0.512 0.958 0.458 CB 1.215 19 residues pruned to eliminate duplicates Z: 13 12.439 1.833 0.390 0.659 1.000 0.833 CB 1.216 13 residues pruned to eliminate duplicates Z: 26 17.433 1.809 0.793 0.509 0.840 0.600 CB 1.267 25 residues pruned to eliminate duplicates Z: 18 18.893 1.653 0.545 0.933 1.000 0.882 CB 1.252 18 residues pruned to eliminate duplicates Z: 20 8.760 1.483 0.487 0.517 0.789 0.579 N 1.135 20 residues pruned to eliminate duplicates Z: 9 7.433 1.624 0.440 0.617 0.875 0.750 N 1.150 9 residues pruned to eliminate duplicates Z: 11 11.886 1.682 0.653 0.798 0.900 0.800 CB 1.158 11 residues pruned to eliminate duplicates Z: 13 13.387 1.619 0.613 0.811 1.000 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 15 10.046 1.501 0.786 0.695 0.786 0.643 CB 1.067 15 residues pruned to eliminate duplicates Z: 19 11.140 1.583 0.602 0.596 0.833 0.611 CB 1.134 19 residues pruned to eliminate duplicates Z: 21 16.108 1.544 0.876 0.773 0.850 0.550 CB 1.150 21 residues pruned to eliminate duplicates Z: 35 18.949 1.655 0.473 0.753 0.912 0.559 CB 1.167 37 residues pruned to eliminate duplicates Z: 17 16.755 1.649 0.662 0.899 0.875 0.812 CB 1.249 17 residues pruned to eliminate duplicates Z: 33 19.106 1.594 0.571 0.728 0.938 0.531 CB 1.171 33 residues pruned to eliminate duplicates Z: 18 15.105 1.557 0.698 0.848 0.882 0.647 CB 1.165 18 residues pruned to eliminate duplicates Z: 29 16.179 1.596 0.490 0.778 0.929 0.821 CB 1.083 29 residues pruned to eliminate duplicates Z: 13 4.821 1.428 0.467 0.514 0.750 0.583 CB 0.873 13 residues pruned to eliminate duplicates Z: 23 11.920 1.571 0.266 0.803 0.909 0.773 CB 1.079 23 residues pruned to eliminate duplicates Z: 13 9.864 1.571 0.378 0.828 0.917 0.833 CB 1.080 13 residues pruned to eliminate duplicates Z: 7 7.089 1.591 0.310 0.868 1.000 0.833 CB 1.015 7 residues pruned to eliminate duplicates Z: 24 18.309 1.636 0.558 0.922 0.913 0.609 CB 1.153 24 residues pruned to eliminate duplicates Z: 28 13.271 1.492 0.395 0.690 0.963 0.667 CB 1.071 23 residues pruned to eliminate duplicates Z: 26 18.309 1.584 0.638 0.888 1.000 0.800 CB 1.017 26 residues pruned to eliminate duplicates Z: 12 6.275 1.459 0.535 0.752 0.909 0.273 CB 0.742 12 residues pruned to eliminate duplicates Z: 7 6.452 1.547 0.682 0.791 0.833 0.333 CB 0.941 7 residues pruned to eliminate duplicates Z: 9 7.205 1.568 0.312 0.785 0.875 0.500 CB 1.101 9 residues pruned to eliminate duplicates Z: 14 5.122 1.541 0.470 0.319 0.846 0.385 CB 0.905 17 residues pruned to eliminate duplicates Z: 11 10.178 1.526 0.252 0.903 1.000 0.900 CB 1.201 11 residues pruned to eliminate duplicates Z: 10 9.960 1.643 0.185 0.882 1.000 0.889 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 10.756 1.632 0.283 0.865 1.000 0.778 CB 1.254 10 residues pruned to eliminate duplicates Z: 15 7.882 1.610 0.316 0.620 0.857 0.643 CB 1.035 15 residues pruned to eliminate duplicates Z: 10 9.021 1.606 0.300 0.777 0.889 0.556 CB 1.269 10 residues pruned to eliminate duplicates Z: 15 8.430 1.520 0.254 0.673 0.929 0.643 CB 1.086 13 residues pruned to eliminate duplicates Z: 11 9.569 1.541 0.192 0.895 1.000 1.000 CB 1.181 11 residues pruned to eliminate duplicates Z: 19 9.671 1.586 0.280 0.522 0.944 0.556 CB 1.163 19 residues pruned to eliminate duplicates Z: 18 6.987 1.579 0.307 0.558 0.765 0.529 CB 1.015 18 residues pruned to eliminate duplicates Z: 23 9.959 1.493 0.347 0.551 0.909 0.727 CB 1.105 23 residues pruned to eliminate duplicates Z: 28 12.966 1.716 0.327 0.599 0.852 0.519 CB 1.171 28 residues pruned to eliminate duplicates Z: 20 6.689 1.549 0.427 0.422 0.789 0.526 CB 0.954 20 residues pruned to eliminate duplicates Z: 19 8.757 1.566 0.345 0.546 0.833 0.611 CB 1.124 19 residues pruned to eliminate duplicates Z: 29 12.343 1.723 0.488 0.530 0.857 0.464 CB 1.031 29 residues pruned to eliminate duplicates Z: 17 7.088 1.539 0.477 0.540 0.875 0.438 CB 0.856 17 residues pruned to eliminate duplicates Z: 23 9.885 1.640 0.523 0.570 0.818 0.455 CB 0.963 23 residues pruned to eliminate duplicates Z: 23 13.236 1.711 0.716 0.550 0.864 0.455 CB 1.061 23 residues pruned to eliminate duplicates Z: 9 6.912 1.723 0.304 0.577 0.750 0.250 CB 1.346 9 residues pruned to eliminate duplicates Z: 17 18.638 1.881 0.821 0.618 0.938 0.562 CB 1.298 14 residues pruned to eliminate duplicates Z: 14 18.307 1.770 0.724 0.778 0.923 0.462 N 1.411 14 residues pruned to eliminate duplicates Z: 15 16.076 1.885 0.660 0.637 0.929 0.571 CB 1.301 15 residues pruned to eliminate duplicates Z: 16 18.054 1.885 0.831 0.632 0.867 0.600 CB 1.376 17 residues pruned to eliminate duplicates Z: 11 15.218 1.938 0.603 0.768 0.800 0.500 N 1.527 11 residues pruned to eliminate duplicates Z: 17 15.977 1.887 0.724 0.556 0.812 0.500 CB 1.431 17 residues pruned to eliminate duplicates Z: 16 20.579 1.872 0.868 0.634 0.933 0.533 CB 1.436 16 residues pruned to eliminate duplicates Z: 12 22.793 1.953 0.655 0.869 1.000 0.909 CB 1.554 12 residues pruned to eliminate duplicates Z: 17 18.262 1.839 0.903 0.641 0.938 0.688 CB 1.220 17 residues pruned to eliminate duplicates Z: 14 18.332 1.898 0.713 0.718 0.923 0.615 CB 1.391 14 residues pruned to eliminate duplicates Z: 18 15.406 1.805 0.700 0.601 0.824 0.353 CB 1.343 18 residues pruned to eliminate duplicates Z: 22 15.494 1.825 0.579 0.559 0.810 0.381 CB 1.368 38 residues pruned to eliminate duplicates Z: 23 15.329 1.808 0.626 0.509 0.773 0.500 N 1.426 23 residues pruned to eliminate duplicates Z: 23 7.905 1.575 0.615 0.233 0.773 0.500 CB 1.169 Z: 7 3.777 1.293 0.328 0.561 0.833 0.333 N 1.015 7 residues pruned to eliminate duplicates Z: 11 7.430 1.746 0.474 0.303 0.900 0.500 N 1.264 12 residues pruned to eliminate duplicates Z: 6 2.831 1.396 0.173 0.422 1.000 0.800 CA 0.838 6 residues pruned to eliminate duplicates Z: 10 9.765 1.668 0.850 0.542 0.778 0.556 N 1.301 10 residues pruned to eliminate duplicates Z: 14 9.106 1.636 0.554 0.458 0.923 0.462 CB 1.124 14 residues pruned to eliminate duplicates Z: 24 13.267 1.671 0.636 0.511 0.826 0.522 CB 1.211 34 residues pruned to eliminate duplicates Z: 8 7.596 1.493 0.995 0.779 0.714 0.571 N 1.055 8 residues pruned to eliminate duplicates Z: 22 16.491 1.679 0.616 0.600 0.905 0.714 CB 1.333 27 residues pruned to eliminate duplicates Z: 10 12.654 1.499 1.030 0.874 1.000 0.778 CA 1.009 10 residues pruned to eliminate duplicates Z: 17 13.201 1.690 0.537 0.562 1.000 0.625 CB 1.196 17 residues pruned to eliminate duplicates Z: 9 6.513 1.633 0.603 0.292 0.875 0.500 CB 1.270 9 residues pruned to eliminate duplicates Z: 17 7.388 1.624 0.498 0.399 0.750 0.438 CB 1.125 15 residues pruned to eliminate duplicates Z: 11 15.074 1.715 0.685 0.745 1.000 0.700 N 1.324 11 residues pruned to eliminate duplicates Z: 24 15.372 1.707 0.437 0.534 0.913 0.652 CB 1.384 24 residues pruned to eliminate duplicates Z: 22 8.754 1.621 0.344 0.357 0.905 0.381 CB 1.132 20 residues pruned to eliminate duplicates Z: 19 11.654 1.619 0.478 0.476 0.944 0.556 CB 1.245 19 residues pruned to eliminate duplicates Z: 33 15.920 1.604 0.772 0.456 0.844 0.406 CB 1.228 33 residues pruned to eliminate duplicates Z: 6 3.787 1.532 0.343 0.535 0.800 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 11 3.711 1.573 0.529 0.221 0.700 0.300 CB 0.967 11 residues pruned to eliminate duplicates Z: 11 4.270 1.448 0.239 0.304 0.800 0.300 O 1.170 11 residues pruned to eliminate duplicates Z: 13 4.170 1.374 0.389 0.352 0.750 0.250 CB 0.987 Z: 11 7.798 1.511 0.338 0.735 0.900 0.800 CB 1.097 11 residues pruned to eliminate duplicates Z: 16 4.295 1.468 0.329 0.411 0.733 0.400 CB 0.851 Z: 8 3.281 1.282 0.127 0.836 1.000 0.714 CB 0.643 8 residues pruned to eliminate duplicates Z: 6 2.067 1.346 0.103 0.745 0.800 0.600 CB 0.625 6 residues pruned to eliminate duplicates Z: 10 4.256 1.464 0.150 0.575 0.889 0.444 CB 0.882 10 residues pruned to eliminate duplicates Z: 11 5.982 1.540 0.259 0.560 0.800 0.500 N 1.151 27 residues pruned to eliminate duplicates Z: 12 6.330 1.429 0.429 0.470 0.909 0.545 CB 1.060 12 residues pruned to eliminate duplicates Z: 6 7.797 1.509 0.733 0.668 1.000 1.000 O 1.142 6 residues pruned to eliminate duplicates Z: 7 7.494 1.569 0.460 0.812 1.000 0.500 CB 1.018 7 residues pruned to eliminate duplicates Z: 8 6.152 1.451 0.551 0.762 0.857 0.571 CB 0.956 7 residues pruned to eliminate duplicates Z: 8 8.690 1.513 0.750 0.849 1.000 1.000 CB 0.919 8 residues pruned to eliminate duplicates Z: 10 4.495 1.659 0.079 0.609 0.889 0.444 CB 0.849 10 residues pruned to eliminate duplicates Z: 10 5.636 1.360 0.247 0.826 1.000 0.778 CB 0.835 9 residues pruned to eliminate duplicates Z: 9 6.390 1.379 0.140 0.807 1.000 1.000 CA 1.100 9 residues pruned to eliminate duplicates Z: 11 3.439 1.557 0.305 0.545 0.800 0.600 CB 0.640 11 residues pruned to eliminate duplicates Z: 10 6.731 1.502 0.537 0.855 0.889 0.556 CB 0.807 9 residues pruned to eliminate duplicates Z: 11 6.864 1.362 0.174 0.840 1.000 0.800 CB 1.013 11 residues pruned to eliminate duplicates Z: 12 7.822 1.553 0.441 0.738 0.909 0.727 CB 0.936 12 residues pruned to eliminate duplicates Z: 9 7.214 1.578 0.394 0.827 1.000 0.500 CB 0.874 9 residues pruned to eliminate duplicates Z: 8 10.700 1.606 0.800 0.498 1.000 0.571 N 1.402 8 residues pruned to eliminate duplicates Z: 7 8.083 1.665 0.553 0.555 0.833 0.500 O 1.452 7 residues pruned to eliminate duplicates Z: 14 5.983 1.564 0.437 0.492 0.615 0.308 CB 1.210 14 residues pruned to eliminate duplicates Z: 9 5.598 1.516 0.590 0.432 0.750 0.625 CB 1.175 9 residues pruned to eliminate duplicates Z: 22 21.199 1.667 0.520 0.863 1.000 0.810 CB 1.340 22 residues pruned to eliminate duplicates Z: 15 9.513 1.517 0.764 0.579 0.786 0.643 CB 1.121 15 residues pruned to eliminate duplicates Z: 16 13.940 1.621 0.560 0.782 0.867 0.733 CB 1.281 16 residues pruned to eliminate duplicates Z: 21 10.589 1.565 0.568 0.515 0.900 0.600 CB 1.056 21 residues pruned to eliminate duplicates Z: 23 19.821 1.670 0.596 0.798 0.955 0.727 CB 1.279 23 residues pruned to eliminate duplicates Z: 22 18.402 1.653 0.515 0.811 0.905 0.571 N 1.352 22 residues pruned to eliminate duplicates Z: 22 15.962 1.662 0.620 0.711 0.810 0.667 CB 1.319 22 residues pruned to eliminate duplicates Z: 22 14.339 1.571 0.657 0.721 0.810 0.571 CB 1.216 22 residues pruned to eliminate duplicates Z: 24 17.277 1.663 0.526 0.716 0.957 0.565 CB 1.220 24 residues pruned to eliminate duplicates Z: 24 17.630 1.624 0.699 0.745 0.870 0.652 CB 1.231 24 residues pruned to eliminate duplicates Z: 20 19.156 1.647 0.579 0.846 0.947 0.737 CB 1.325 20 residues pruned to eliminate duplicates Z: 23 21.608 1.632 0.739 0.779 1.000 0.636 CB 1.269 23 residues pruned to eliminate duplicates Z: 23 14.587 1.574 0.548 0.768 0.818 0.545 N 1.230 23 residues pruned to eliminate duplicates Z: 25 17.828 1.568 0.682 0.751 0.917 0.667 CB 1.204 25 residues pruned to eliminate duplicates Z: 8 9.928 1.491 0.521 0.880 1.000 0.714 N 1.200 8 residues pruned to eliminate duplicates Z: 15 11.586 1.635 0.608 0.669 0.857 0.714 CB 1.175 15 residues pruned to eliminate duplicates Z: 19 13.744 1.587 0.558 0.841 0.889 0.778 CB 1.100 19 residues pruned to eliminate duplicates Z: 27 19.194 1.624 0.588 0.852 0.885 0.808 CB 1.220 27 residues pruned to eliminate duplicates Z: 12 6.968 1.546 0.413 0.806 0.909 0.727 CB 0.810 12 residues pruned to eliminate duplicates Z: 8 4.092 1.596 0.668 0.445 1.000 0.714 CB 0.615 Z: 15 4.713 1.518 0.647 0.317 0.714 0.286 N 0.863 15 residues pruned to eliminate duplicates Z: 16 4.635 1.493 0.619 0.325 0.600 0.333 CB 1.000 16 residues pruned to eliminate duplicates Z: 7 2.863 1.690 -0.162 0.409 1.000 0.500 CB 0.908 7 1.827 1.711 -0.182 0.210 0.667 0.333 CB 1.127 ? Z: 7 4.926 1.676 0.246 0.832 1.000 0.833 CB 0.723 7 residues pruned to eliminate duplicates 7 1.984 1.564 0.172 0.636 0.667 0.500 CB 0.584 ? Z: 13 4.560 1.634 0.366 0.342 0.667 0.333 CB 1.050 8 residues pruned to eliminate duplicates Z: 13 6.558 1.423 0.570 0.903 0.917 0.667 CB 0.659 11 residues pruned to eliminate duplicates Z: 7 9.948 1.607 0.958 0.892 1.000 0.833 CB 0.927 12 residues pruned to eliminate duplicates Z: 8 8.830 1.604 0.769 0.777 0.857 0.571 CB 1.075 8 residues pruned to eliminate duplicates Z: 15 6.281 1.556 0.325 0.509 0.857 0.429 CB 0.942 15 residues pruned to eliminate duplicates Z: 12 8.307 1.458 0.720 0.706 0.909 0.545 CB 0.911 Z: 13 5.739 1.314 0.704 0.725 0.750 0.417 CB 0.805 10 residues pruned to eliminate duplicates Z: 9 6.727 1.403 0.766 0.751 1.000 0.375 CB 0.767 9 residues pruned to eliminate duplicates Z: 9 5.885 1.427 0.831 0.539 0.875 0.625 CB 0.876 10 residues pruned to eliminate duplicates Z: 13 10.829 1.504 0.929 0.827 0.917 0.500 CB 0.886 17 residues pruned to eliminate duplicates Z: 10 5.042 1.332 0.664 0.716 0.889 0.556 N 0.702 9 residues pruned to eliminate duplicates Z: 8 8.541 1.526 0.585 0.806 1.000 0.429 CB 1.021 13 residues pruned to eliminate duplicates Z: 7 6.688 1.430 0.426 0.851 1.000 0.833 CB 0.991 7 residues pruned to eliminate duplicates Z: 13 9.481 1.611 0.592 0.692 0.917 0.500 CB 0.976 13 residues pruned to eliminate duplicates Z: 19 8.256 1.616 0.327 0.563 0.889 0.389 CB 0.960 19 residues pruned to eliminate duplicates Z: 12 5.520 1.591 0.595 0.514 0.818 0.364 CB 0.790 12 residues pruned to eliminate duplicates Z: 16 8.753 1.621 0.342 0.596 0.867 0.400 CB 1.094 16 residues pruned to eliminate duplicates Z: 17 8.496 1.617 0.428 0.520 0.875 0.250 CB 1.030 17 residues pruned to eliminate duplicates Z: 17 8.736 1.538 0.333 0.526 0.938 0.375 CB 1.108 17 residues pruned to eliminate duplicates Z: 19 6.789 1.500 0.651 0.372 0.722 0.167 CB 1.025 19 residues pruned to eliminate duplicates Z: 22 7.872 1.565 0.417 0.389 0.857 0.381 CB 1.017 26 residues pruned to eliminate duplicates Z: 6 2.441 1.305 0.490 0.408 0.800 0.200 CB 0.774 6 residues pruned to eliminate duplicates Z: 18 8.540 1.593 0.463 0.470 0.882 0.353 CB 1.039 18 residues pruned to eliminate duplicates Z: 8 7.326 1.775 0.421 0.707 1.000 0.429 CB 0.910 8 residues pruned to eliminate duplicates Z: 16 6.813 1.611 0.355 0.409 0.867 0.400 CB 1.023 16 residues pruned to eliminate duplicates Z: 20 11.609 1.592 0.780 0.449 0.895 0.316 CB 1.106 26 residues pruned to eliminate duplicates Z: 7 6.231 1.433 0.735 0.643 0.833 0.833 CB 1.075 4 residues pruned to eliminate duplicates Z: 6 6.480 1.613 0.565 0.825 1.000 1.000 CB 0.866 6 residues pruned to eliminate duplicates Z: 11 10.686 1.715 0.182 0.892 1.000 0.800 CB 1.198 11 residues pruned to eliminate duplicates Z: 12 11.081 1.637 0.366 0.791 1.000 0.818 CB 1.158 12 residues pruned to eliminate duplicates Z: 12 13.446 1.652 0.383 0.807 1.000 0.545 CB 1.358 12 residues pruned to eliminate duplicates Z: 11 13.233 1.763 0.391 0.895 1.000 1.000 CB 1.224 11 residues pruned to eliminate duplicates Z: 13 13.928 1.662 0.424 0.856 1.000 0.750 CB 1.253 12 residues pruned to eliminate duplicates Z: 11 13.757 1.733 0.667 0.899 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 19 12.059 1.609 0.444 0.653 0.889 0.778 CB 1.193 19 residues pruned to eliminate duplicates Z: 11 14.994 1.775 0.469 0.923 1.000 1.000 CB 1.278 11 residues pruned to eliminate duplicates Z: 12 12.619 1.630 0.444 0.841 1.000 0.818 CB 1.205 12 residues pruned to eliminate duplicates Z: 19 12.069 1.596 0.453 0.687 0.944 0.778 CB 1.094 18 residues pruned to eliminate duplicates Z: 15 12.460 1.665 0.462 0.668 0.929 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 18 6.394 1.470 0.348 0.447 0.824 0.412 CB 1.003 17 residues pruned to eliminate duplicates Z: 14 8.058 1.500 0.239 0.712 0.923 0.615 CB 1.075 14 residues pruned to eliminate duplicates Z: 27 14.755 1.670 0.412 0.726 0.885 0.731 CB 1.132 30 residues pruned to eliminate duplicates Z: 10 9.847 1.733 0.328 0.770 0.889 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 9 12.280 1.754 0.545 0.808 1.000 0.750 CB 1.225 9 residues pruned to eliminate duplicates Z: 10 13.747 1.764 0.523 0.816 1.000 0.889 CB 1.296 10 residues pruned to eliminate duplicates Z: 12 9.072 1.658 0.355 0.647 0.818 0.636 CB 1.297 12 residues pruned to eliminate duplicates Z: 11 12.054 1.761 0.463 0.714 0.900 0.600 CB 1.354 11 residues pruned to eliminate duplicates Z: 12 9.888 1.638 0.697 0.644 0.818 0.455 CB 1.145 12 residues pruned to eliminate duplicates Z: 14 9.276 1.700 0.460 0.552 0.846 0.538 CB 1.165 14 residues pruned to eliminate duplicates Z: 18 11.407 1.548 0.548 0.565 0.882 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 13 9.726 1.605 0.203 0.681 0.917 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 14 18.718 1.827 0.578 0.741 1.000 0.923 CB 1.451 14 residues pruned to eliminate duplicates Z: 16 16.270 1.739 0.600 0.689 0.933 0.800 CB 1.360 16 residues pruned to eliminate duplicates Z: 8 15.079 1.790 0.958 0.750 1.000 0.857 CB 1.301 8 residues pruned to eliminate duplicates Z: 23 18.665 1.734 0.753 0.597 0.955 0.591 CB 1.250 23 residues pruned to eliminate duplicates Z: 20 14.445 1.646 0.604 0.627 0.842 0.684 CB 1.322 20 residues pruned to eliminate duplicates Z: 16 20.720 1.779 0.787 0.705 1.000 0.800 CB 1.397 16 residues pruned to eliminate duplicates Z: 23 18.242 1.676 0.685 0.590 1.000 0.545 CB 1.263 23 residues pruned to eliminate duplicates Z: 27 15.957 1.650 0.522 0.529 1.000 0.615 CB 1.212 27 residues pruned to eliminate duplicates Z: 17 17.862 1.704 0.628 0.737 1.000 0.875 CB 1.301 17 residues pruned to eliminate duplicates Z: 16 16.915 1.735 0.572 0.719 1.000 0.733 CB 1.313 16 residues pruned to eliminate duplicates Z: 15 20.585 1.785 0.779 0.720 1.000 0.857 CB 1.420 15 residues pruned to eliminate duplicates Z: 23 19.009 1.702 0.708 0.613 0.955 0.682 CB 1.313 23 residues pruned to eliminate duplicates Z: 25 17.934 1.662 0.666 0.591 0.958 0.667 CB 1.265 25 residues pruned to eliminate duplicates Z: 22 20.274 1.764 0.749 0.640 0.952 0.714 CB 1.321 23 residues pruned to eliminate duplicates Z: 6 4.737 1.506 0.667 0.376 1.000 0.600 CB 0.963 6 residues pruned to eliminate duplicates Z: 24 15.524 1.697 0.538 0.587 0.957 0.826 CB 1.193 24 residues pruned to eliminate duplicates Z: 23 6.576 1.536 0.394 0.397 0.864 0.591 CB 0.845 21 residues pruned to eliminate duplicates Z: 7 3.901 1.688 0.213 0.482 0.667 0.667 CA 1.188 Z: 17 19.146 1.821 0.653 0.731 0.938 0.625 CB 1.378 26 residues pruned to eliminate duplicates Z: 13 11.043 1.775 0.405 0.789 0.750 0.417 N 1.323 13 residues pruned to eliminate duplicates Z: 25 19.543 1.844 0.597 0.597 0.917 0.583 CB 1.346 23 residues pruned to eliminate duplicates Z: 12 14.049 1.732 0.643 0.887 0.818 0.727 N 1.312 12 residues pruned to eliminate duplicates Z: 28 16.799 1.819 0.562 0.512 0.852 0.407 CB 1.320 28 residues pruned to eliminate duplicates Z: 18 15.736 1.861 0.434 0.616 0.882 0.412 CB 1.452 18 residues pruned to eliminate duplicates Z: 25 17.250 1.835 0.481 0.571 0.875 0.583 CB 1.382 25 residues pruned to eliminate duplicates Z: 18 14.279 1.759 0.596 0.572 0.882 0.412 CB 1.304 18 residues pruned to eliminate duplicates Z: 37 20.007 1.842 0.573 0.476 0.944 0.556 CB 1.249 38 residues pruned to eliminate duplicates Z: 11 17.680 1.813 0.743 0.876 0.900 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 25 20.229 1.857 0.609 0.599 0.958 0.625 CB 1.313 25 residues pruned to eliminate duplicates Z: 26 17.710 1.835 0.656 0.560 0.800 0.680 CB 1.375 26 residues pruned to eliminate duplicates Z: 26 16.150 1.848 0.561 0.547 0.840 0.560 CB 1.273 26 residues pruned to eliminate duplicates Z: 35 19.425 1.872 0.473 0.505 0.941 0.588 CB 1.277 35 residues pruned to eliminate duplicates Z: 20 8.099 1.691 0.379 0.423 0.737 0.526 CB 1.172 20 residues pruned to eliminate duplicates Z: 26 22.079 1.820 0.709 0.561 0.960 0.520 CB 1.394 25 residues pruned to eliminate duplicates Z: 6 4.444 1.671 0.518 0.478 0.800 0.400 CB 1.001 6 residues pruned to eliminate duplicates Z: 13 7.137 1.848 0.420 0.184 0.917 0.500 CB 1.252 13 residues pruned to eliminate duplicates Z: 12 5.980 1.401 0.548 0.431 0.818 0.455 N 1.092 Z: 6 3.316 1.696 0.041 0.245 0.800 0.200 O 1.409 Z: 6 2.374 1.365 0.596 0.224 0.800 0.800 N 0.841 Z: 15 11.161 1.575 0.467 0.804 0.857 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 14 8.555 1.708 0.572 0.792 0.846 0.615 CB 0.809 14 residues pruned to eliminate duplicates Z: 17 16.491 1.681 0.730 0.736 1.000 0.875 CB 1.147 17 residues pruned to eliminate duplicates Z: 15 12.425 1.659 0.485 0.854 0.857 0.643 CB 1.161 15 residues pruned to eliminate duplicates Z: 9 11.791 1.735 0.860 0.830 1.000 0.750 CB 0.971 9 residues pruned to eliminate duplicates Z: 29 13.381 1.744 0.432 0.647 0.893 0.464 CB 0.989 29 residues pruned to eliminate duplicates Z: 16 10.956 1.707 0.686 0.780 0.867 0.533 CB 0.886 16 residues pruned to eliminate duplicates Z: 19 11.469 1.836 0.610 0.594 0.889 0.556 CB 0.941 19 residues pruned to eliminate duplicates Z: 15 12.012 1.612 0.791 0.718 0.929 0.500 CB 0.983 15 residues pruned to eliminate duplicates Z: 18 10.926 1.831 0.615 0.642 0.882 0.647 CB 0.890 18 residues pruned to eliminate duplicates Z: 12 12.378 1.777 0.778 0.730 0.909 0.727 CB 1.057 12 residues pruned to eliminate duplicates Z: 23 15.087 1.806 0.708 0.709 0.909 0.591 CB 0.949 23 residues pruned to eliminate duplicates Z: 21 11.537 1.683 0.765 0.481 0.750 0.450 N 1.180 21 residues pruned to eliminate duplicates Z: 24 14.439 1.814 0.511 0.674 0.957 0.478 CB 0.978 24 residues pruned to eliminate duplicates Z: 8 9.742 1.940 0.546 0.586 1.000 0.429 CB 1.131 8 residues pruned to eliminate duplicates Z: 19 7.663 1.730 0.570 0.429 0.833 0.444 CB 0.859 10 residues pruned to eliminate duplicates Z: 7 5.537 1.423 0.432 0.512 1.000 0.833 CB 1.096 7 residues pruned to eliminate duplicates Z: 10 9.424 1.922 0.472 0.597 0.889 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 9 8.750 1.923 0.362 0.583 1.000 0.625 CB 1.091 9 residues pruned to eliminate duplicates Z: 8 8.392 1.916 0.548 0.661 0.857 0.714 CB 1.075 8 residues pruned to eliminate duplicates Z: 21 16.326 1.797 0.880 0.737 0.950 0.850 CB 0.919 21 residues pruned to eliminate duplicates Z: 8 6.179 1.741 0.066 0.462 1.000 0.571 CB 1.309 Z: 6 4.794 1.682 -0.087 0.599 1.000 0.400 CB 1.270 6 residues pruned to eliminate duplicates Z: 10 9.393 1.715 0.374 0.613 1.000 0.556 N 1.194 10 residues pruned to eliminate duplicates Z: 11 7.013 1.710 0.168 0.603 0.800 0.600 N 1.259 11 residues pruned to eliminate duplicates Z: 16 8.890 1.726 0.258 0.594 0.733 0.533 N 1.318 8 residues pruned to eliminate duplicates Z: 11 15.482 1.560 0.851 0.802 1.000 0.800 N 1.302 15 residues pruned to eliminate duplicates Z: 10 15.089 1.638 1.038 0.804 0.889 0.556 N 1.300 10 residues pruned to eliminate duplicates Z: 13 15.933 1.573 0.730 0.875 0.917 0.750 O 1.341 11 residues pruned to eliminate duplicates Z: 9 13.411 1.657 1.017 0.867 0.875 0.625 N 1.186 9 residues pruned to eliminate duplicates Z: 9 5.484 1.688 0.429 0.673 0.500 0.250 N 1.370 9 residues pruned to eliminate duplicates Z: 9 9.015 1.676 0.724 0.690 0.750 0.125 N 1.235 9 residues pruned to eliminate duplicates Z: 14 9.263 1.782 0.258 0.571 0.769 0.538 CB 1.391 14 residues pruned to eliminate duplicates Z: 17 7.677 1.725 0.187 0.520 0.750 0.375 CB 1.226 15 residues pruned to eliminate duplicates 6 1.827 1.213 0.600 0.476 0.800 0.600 CB 0.539 ? Z: 15 18.614 1.849 0.461 0.818 1.000 0.786 CB 1.397 14 residues pruned to eliminate duplicates Z: 14 18.241 1.888 0.505 0.901 1.000 0.846 CB 1.271 15 residues pruned to eliminate duplicates Z: 14 20.907 1.892 0.465 0.916 1.000 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 14 14.959 1.629 0.915 0.799 0.846 0.692 N 1.210 14 residues pruned to eliminate duplicates Z: 16 18.349 1.790 0.541 0.786 1.000 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 18 16.938 1.720 0.624 0.726 0.941 0.647 CB 1.275 18 residues pruned to eliminate duplicates Z: 15 21.766 1.938 0.553 0.879 1.000 0.857 CB 1.401 15 residues pruned to eliminate duplicates Z: 14 20.332 1.876 0.571 0.922 1.000 1.000 CB 1.346 14 residues pruned to eliminate duplicates Z: 18 11.767 1.801 0.589 0.735 0.882 0.647 CB 0.915 18 residues pruned to eliminate duplicates Z: 27 18.920 1.770 0.693 0.695 0.885 0.462 CB 1.171 36 residues pruned to eliminate duplicates Z: 16 14.849 1.758 0.703 0.910 0.933 0.733 CB 0.973 16 residues pruned to eliminate duplicates Z: 26 20.249 1.786 0.711 0.666 0.960 0.560 CB 1.184 27 residues pruned to eliminate duplicates Z: 15 17.468 1.799 0.893 0.921 1.000 0.786 CB 0.964 15 residues pruned to eliminate duplicates Z: 25 19.329 1.823 0.723 0.718 0.917 0.625 CB 1.125 25 residues pruned to eliminate duplicates Z: 33 21.236 1.735 0.776 0.646 0.969 0.531 CB 1.098 53 residues pruned to eliminate duplicates Z: 8 4.235 1.233 0.314 0.760 0.857 0.714 CB 0.915 7 residues pruned to eliminate duplicates Z: 6 4.519 1.345 0.241 0.743 1.000 0.600 CA 0.975 6 residues pruned to eliminate duplicates Z: 7 3.813 1.521 0.187 0.400 0.833 0.667 CA 1.150 7 residues pruned to eliminate duplicates Z: 12 11.444 1.648 0.600 0.632 0.909 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 10 9.496 1.715 0.364 0.713 1.000 0.778 CB 1.116 10 residues pruned to eliminate duplicates Z: 13 10.900 1.646 0.601 0.593 0.917 0.583 CB 1.191 13 residues pruned to eliminate duplicates Z: 10 8.670 1.800 0.534 0.648 0.889 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 8 11.802 1.758 0.957 0.731 1.000 0.571 CB 1.053 8 residues pruned to eliminate duplicates Z: 10 7.859 1.688 0.756 0.750 0.778 0.444 CB 0.909 10 residues pruned to eliminate duplicates Z: 20 14.030 1.623 0.677 0.622 0.947 0.632 CB 1.113 21 residues pruned to eliminate duplicates Z: 8 11.279 1.673 1.061 0.881 1.000 0.286 CB 0.895 8 residues pruned to eliminate duplicates Z: 20 15.673 1.649 0.810 0.596 0.947 0.632 CB 1.161 20 residues pruned to eliminate duplicates Z: 14 13.398 1.645 0.670 0.655 0.923 0.538 CB 1.269 14 residues pruned to eliminate duplicates Z: 11 8.480 1.775 0.289 0.772 1.000 0.900 CB 0.921 9 residues pruned to eliminate duplicates Z: 12 10.330 1.780 0.484 0.818 1.000 0.818 CB 0.895 12 residues pruned to eliminate duplicates Z: 10 9.905 1.783 0.246 0.903 1.000 0.778 CB 1.059 10 residues pruned to eliminate duplicates Z: 15 11.279 1.729 0.488 0.672 0.929 0.643 CB 1.077 12 residues pruned to eliminate duplicates Z: 11 13.663 1.754 0.544 0.892 1.000 0.800 CB 1.146 15 residues pruned to eliminate duplicates Z: 10 12.477 1.773 0.499 0.867 1.000 1.000 CB 1.144 10 residues pruned to eliminate duplicates Z: 9 9.500 1.723 0.509 0.738 1.000 0.750 CB 1.043 9 residues pruned to eliminate duplicates Z: 9 8.457 1.650 0.702 0.870 1.000 0.750 CB 0.777 8 residues pruned to eliminate duplicates Z: 10 12.457 1.816 0.660 0.877 1.000 0.778 CB 1.001 10 residues pruned to eliminate duplicates Z: 20 9.084 1.567 0.668 0.580 0.842 0.632 CB 0.877 14 residues pruned to eliminate duplicates Z: 12 14.068 1.720 0.437 0.866 1.000 0.909 CB 1.256 12 residues pruned to eliminate duplicates Z: 10 13.785 1.975 0.204 0.879 1.000 0.889 CB 1.401 10 residues pruned to eliminate duplicates Z: 8 13.609 2.056 0.313 0.884 1.000 1.000 CB 1.376 8 residues pruned to eliminate duplicates Z: 8 16.171 2.065 0.505 0.884 1.000 0.857 CB 1.421 8 residues pruned to eliminate duplicates Z: 8 12.365 2.072 0.201 0.870 1.000 0.857 CB 1.371 8 residues pruned to eliminate duplicates Z: 15 9.834 1.805 0.365 0.708 1.000 0.786 CB 0.883 15 residues pruned to eliminate duplicates Z: 14 9.230 1.669 0.727 0.616 0.769 0.385 CB 1.035 14 residues pruned to eliminate duplicates Z: 13 7.929 1.790 0.468 0.711 0.917 0.750 CB 0.785 13 residues pruned to eliminate duplicates Z: 16 9.555 1.820 0.421 0.583 0.933 0.467 CB 0.944 16 residues pruned to eliminate duplicates Z: 12 12.793 1.950 0.634 0.716 1.000 0.545 CB 0.996 12 residues pruned to eliminate duplicates Z: 15 11.249 1.773 0.528 0.656 1.000 0.643 CB 0.960 9 residues pruned to eliminate duplicates Z: 13 11.085 1.907 0.380 0.743 1.000 0.750 CB 0.978 13 residues pruned to eliminate duplicates Z: 14 11.969 1.867 0.532 0.704 1.000 0.769 CB 0.965 15 residues pruned to eliminate duplicates Z: 10 5.530 1.431 0.672 0.492 0.778 0.333 CB 0.999 8 residues pruned to eliminate duplicates Z: 8 6.347 1.447 0.473 0.493 1.000 0.429 O 1.134 8 residues pruned to eliminate duplicates Z: 10 5.922 1.540 0.439 0.486 0.778 0.111 N 1.161 10 residues pruned to eliminate duplicates Z: 12 9.690 1.496 0.497 0.610 0.909 0.636 CA 1.292 12 residues pruned to eliminate duplicates Z: 13 9.498 1.533 0.537 0.552 0.833 0.500 N 1.327 13 residues pruned to eliminate duplicates Z: 14 9.160 1.543 0.390 0.548 0.923 0.538 CB 1.223 12 residues pruned to eliminate duplicates Z: 7 9.153 1.461 0.918 0.650 1.000 0.500 CA 1.159 7 residues pruned to eliminate duplicates Z: 10 5.771 1.658 0.334 0.341 0.889 0.222 CB 1.163 10 residues pruned to eliminate duplicates Z: 9 6.310 1.531 1.148 0.364 0.875 0.125 CB 0.898 11 residues pruned to eliminate duplicates Z: 6 4.001 1.646 0.353 0.466 0.600 0.000 N 1.386 6 residues pruned to eliminate duplicates Z: 14 6.571 1.645 0.533 0.449 0.846 0.385 CB 0.899 14 residues pruned to eliminate duplicates Z: 10 4.737 1.735 0.132 0.450 0.778 0.444 CB 1.089 6 residues pruned to eliminate duplicates Z: 8 3.255 1.582 0.274 0.744 0.714 0.286 CB 0.687 8 residues pruned to eliminate duplicates Z: 11 10.402 1.750 0.678 0.763 0.800 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 11 13.660 1.871 0.625 0.805 1.000 0.700 CB 1.089 11 residues pruned to eliminate duplicates Z: 9 13.184 1.925 0.906 0.792 0.875 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 13 12.660 1.785 0.723 0.645 0.833 0.833 CB 1.245 13 residues pruned to eliminate duplicates Z: 11 13.778 1.851 0.893 0.781 0.900 0.800 CB 1.078 11 residues pruned to eliminate duplicates Z: 24 9.198 1.657 0.461 0.587 0.826 0.522 CB 0.883 19 residues pruned to eliminate duplicates Z: 12 12.306 1.807 0.881 0.786 0.818 0.636 CB 1.038 12 residues pruned to eliminate duplicates Z: 12 17.179 1.790 1.136 0.786 1.000 0.818 CB 1.054 9 residues pruned to eliminate duplicates Z: 13 18.704 1.689 1.269 0.893 1.000 0.833 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 17.687 1.790 0.864 0.901 1.000 0.846 CB 1.050 29 residues pruned to eliminate duplicates Z: 15 18.657 1.723 1.064 0.812 1.000 0.429 CB 1.070 15 residues pruned to eliminate duplicates Z: 16 8.255 1.590 0.885 0.461 0.800 0.333 CB 0.925 16 residues pruned to eliminate duplicates Z: 25 15.362 1.627 0.825 0.700 1.000 0.625 CB 0.880 14 residues pruned to eliminate duplicates Z: 10 10.460 1.486 0.808 0.804 0.889 0.333 N 1.120 10 residues pruned to eliminate duplicates Z: 18 6.370 1.538 0.449 0.517 0.882 0.529 CB 0.772 14 residues pruned to eliminate duplicates Z: 15 16.221 1.698 1.193 0.839 0.929 0.500 CB 0.936 15 residues pruned to eliminate duplicates Z: 13 6.001 1.549 0.496 0.624 0.917 0.750 CB 0.726 13 residues pruned to eliminate duplicates Z: 10 6.765 1.527 0.848 0.655 0.889 0.778 CB 0.779 10 residues pruned to eliminate duplicates Z: 11 6.127 1.574 0.395 0.629 1.000 0.700 CB 0.781 11 residues pruned to eliminate duplicates Z: 13 6.215 1.589 0.515 0.601 0.917 0.750 CB 0.739 13 residues pruned to eliminate duplicates Z: 9 6.307 1.651 0.499 0.713 1.000 0.625 CB 0.743 9 residues pruned to eliminate duplicates Z: 11 3.825 1.400 0.347 0.324 0.700 0.400 C 1.111 Z: 11 8.057 1.500 0.569 0.809 1.000 0.400 CB 0.827 20 residues pruned to eliminate duplicates Z: 9 6.891 1.544 0.466 0.801 0.875 0.625 CB 0.945 9 residues pruned to eliminate duplicates Z: 11 10.148 1.510 0.558 0.690 0.900 0.600 N 1.274 11 residues pruned to eliminate duplicates Z: 11 7.861 1.427 0.585 0.715 0.900 0.700 CB 1.005 11 residues pruned to eliminate duplicates Z: 9 4.506 1.339 0.601 0.618 0.625 0.375 N 1.063 9 residues pruned to eliminate duplicates Z: 10 6.664 1.512 0.513 0.577 0.778 0.444 CB 1.159 10 residues pruned to eliminate duplicates Z: 11 9.649 1.500 0.737 0.822 1.000 0.800 CB 0.886 11 residues pruned to eliminate duplicates Z: 10 7.898 1.613 0.515 0.842 0.889 0.556 CB 0.903 10 residues pruned to eliminate duplicates Z: 11 5.354 1.387 0.599 0.499 0.800 0.500 CB 0.955 11 residues pruned to eliminate duplicates Z: 10 5.542 1.546 0.540 0.790 0.778 0.667 CB 0.773 10 residues pruned to eliminate duplicates Z: 25 9.132 1.519 0.315 0.571 0.875 0.458 CB 0.996 28 residues pruned to eliminate duplicates Z: 14 11.782 1.554 0.704 0.896 0.923 0.769 CB 0.957 14 residues pruned to eliminate duplicates Z: 17 8.799 1.640 0.436 0.578 0.875 0.625 CB 0.990 19 residues pruned to eliminate duplicates Z: 18 12.552 1.506 0.600 0.919 1.000 0.824 CB 0.890 18 residues pruned to eliminate duplicates Z: 12 4.713 1.609 0.230 0.393 0.727 0.455 CB 1.105 12 residues pruned to eliminate duplicates Z: 6 5.642 1.707 0.706 0.591 0.800 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 7 3.312 1.547 0.335 0.484 0.667 0.667 CB 0.999 7 residues pruned to eliminate duplicates Z: 6 4.250 1.570 0.360 0.580 0.800 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 10 3.134 1.436 0.252 0.333 0.778 0.444 O 0.897 10 residues pruned to eliminate duplicates Z: 8 5.451 1.535 0.416 0.460 1.000 0.714 CB 0.986 8 residues pruned to eliminate duplicates Z: 18 5.162 1.513 0.560 0.353 0.647 0.353 CB 0.961 16 residues pruned to eliminate duplicates 6 1.597 1.071 0.544 0.296 0.800 0.600 N 0.679 ? 1072 residues left after pruning, divided into chains as follows: A: 11 B: 8 C: 14 D: 11 E: 40 F: 6 G: 29 H: 22 I: 41 J: 12 K: 15 L: 9 M: 6 N: 35 O: 19 P: 14 Q: 44 R: 33 S: 10 T: 68 U: 17 V: 19 W: 24 X: 39 Y: 32 Z: 32 Z: 11 Z: 11 Z: 25 Z: 31 Z: 6 Z: 29 Z: 24 Z: 41 Z: 23 Z: 10 Z: 15 Z: 47 Z: 18 Z: 18 Z: 13 Z: 12 Z: 32 Z: 29 Z: 9 Z: 23 Z: 35 CC for partial structure against native data = 33.44 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.403, Connect. = 0.662 for dens.mod. cycle 1 = 0.300, Contrast = 0.466, Connect. = 0.687 for dens.mod. cycle 2 = 0.300, Contrast = 0.541, Connect. = 0.717 for dens.mod. cycle 3 = 0.300, Contrast = 0.551, Connect. = 0.720 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.723 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.726 for dens.mod. cycle 6 = 0.300, Contrast = 0.572, Connect. = 0.728 for dens.mod. cycle 7 = 0.300, Contrast = 0.575, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.733 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4742 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1142 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 21.082 1.900 0.800 0.854 1.000 0.727 CB 1.373 B: 8 12.342 1.821 0.442 0.843 1.000 0.857 O 1.322 C: 10 14.065 1.780 0.349 0.824 1.000 0.889 N 1.475 D: 15 13.997 1.770 0.662 0.884 0.929 0.714 CB 0.989 E: 13 17.466 1.864 0.591 0.852 0.917 0.833 CB 1.372 F: 12 13.263 1.738 0.619 0.802 0.909 0.727 N 1.201 G: 11 16.301 1.983 0.863 0.856 0.900 0.800 CB 1.144 11 residues pruned to eliminate duplicates H: 7 8.627 1.830 0.244 0.812 0.833 0.833 N 1.414 7 residues pruned to eliminate duplicates I: 24 22.820 1.745 0.875 0.938 0.957 0.870 CB 1.057 J: 10 17.260 1.832 0.805 0.891 1.000 0.889 CA 1.251 12 residues pruned to eliminate duplicates K: 15 12.852 1.823 0.553 0.878 0.857 0.643 CB 1.028 15 residues pruned to eliminate duplicates L: 10 10.900 1.910 0.120 0.766 1.000 0.667 CB 1.342 M: 12 15.854 1.805 0.493 0.868 0.909 0.909 N 1.426 12 residues pruned to eliminate duplicates N: 17 13.428 1.712 0.263 0.817 0.938 0.812 CB 1.258 O: 14 10.514 1.554 0.615 0.802 0.923 0.769 CB 0.966 P: 10 8.650 1.284 0.841 0.875 0.889 0.778 CB 0.998 Q: 12 18.736 1.921 0.676 0.755 0.909 0.727 N 1.538 R: 12 15.864 1.721 0.466 0.886 1.000 0.818 CB 1.368 S: 12 11.722 1.814 0.494 0.822 1.000 0.727 CB 0.986 12 residues pruned to eliminate duplicates T: 11 15.388 1.769 0.601 0.890 1.000 1.000 CB 1.236 U: 12 16.924 1.787 0.517 0.892 1.000 0.727 CB 1.352 V: 11 19.243 1.855 0.490 0.895 1.000 0.800 CB 1.578 8 residues pruned to eliminate duplicates W: 10 16.901 1.858 0.482 0.899 1.000 1.000 CB 1.463 X: 10 4.357 1.718 0.300 0.312 0.778 0.222 CB 1.029 Y: 25 22.610 1.718 0.802 0.902 0.958 0.750 CB 1.110 24 residues pruned to eliminate duplicates Z: 13 15.847 1.701 0.379 0.898 1.000 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 24 14.864 1.550 0.764 0.868 0.957 0.783 CB 0.866 Z: 13 15.993 1.733 0.578 0.814 1.000 0.667 CB 1.284 14 residues pruned to eliminate duplicates Z: 9 9.831 1.997 -0.023 0.894 1.000 1.000 CB 1.278 9 residues pruned to eliminate duplicates Z: 9 10.338 1.705 0.478 0.855 0.875 0.625 N 1.223 Z: 11 15.580 1.840 0.285 0.882 1.000 0.800 CB 1.509 11 residues pruned to eliminate duplicates Z: 14 14.720 1.615 0.613 0.862 0.923 0.923 CB 1.247 14 residues pruned to eliminate duplicates Z: 9 10.029 1.698 0.433 0.822 0.875 0.750 CB 1.259 8 residues pruned to eliminate duplicates Z: 17 8.409 1.731 0.440 0.342 0.875 0.500 CB 1.145 Z: 20 18.703 1.621 0.668 0.889 1.000 0.737 CB 1.143 18 residues pruned to eliminate duplicates Z: 18 17.626 1.622 0.724 0.851 1.000 0.824 CB 1.131 22 residues pruned to eliminate duplicates Z: 16 15.212 1.617 0.654 0.914 1.000 1.000 CB 1.039 16 residues pruned to eliminate duplicates Z: 12 18.989 1.963 0.292 0.893 1.000 0.909 CB 1.620 12 residues pruned to eliminate duplicates Z: 22 23.268 1.793 0.707 0.935 1.000 0.857 CB 1.156 22 residues pruned to eliminate duplicates Z: 10 6.766 1.624 0.423 0.433 0.778 0.333 CB 1.345 Z: 11 11.279 1.655 0.465 0.878 1.000 0.800 CB 1.068 Z: 12 7.308 1.689 0.563 0.868 1.000 0.727 CB 0.610 Z: 11 15.440 1.802 0.462 0.873 1.000 0.600 CB 1.349 11 residues pruned to eliminate duplicates Z: 9 14.476 1.717 0.799 0.813 1.000 0.750 CB 1.262 Z: 12 12.112 1.833 0.522 0.826 1.000 0.727 CB 0.987 Z: 13 16.799 1.810 0.449 0.841 1.000 0.833 CB 1.379 10 residues pruned to eliminate duplicates Z: 9 8.386 1.678 0.224 0.832 0.875 0.625 CA 1.239 Z: 16 17.609 1.984 0.703 0.685 0.933 0.667 CB 1.217 21 residues pruned to eliminate duplicates Z: 11 17.933 1.798 0.686 0.880 1.000 0.800 CB 1.355 9 residues pruned to eliminate duplicates Z: 14 14.191 1.920 0.546 0.516 0.923 0.538 CB 1.414 8 residues pruned to eliminate duplicates Z: 13 20.505 1.832 0.407 0.909 1.000 1.000 O 1.631 13 residues pruned to eliminate duplicates Z: 10 6.581 1.671 0.335 0.837 0.889 0.778 CB 0.827 Z: 9 2.908 1.534 0.601 0.287 0.500 0.250 N 1.064 Z: 15 13.524 1.794 0.139 0.864 1.000 0.714 CB 1.297 15 residues pruned to eliminate duplicates Z: 8 8.419 1.661 0.390 0.654 1.000 0.714 CA 1.194 Z: 11 14.869 1.825 0.230 0.859 1.000 0.800 CA 1.541 11 residues pruned to eliminate duplicates Z: 14 22.377 1.857 0.614 0.889 1.000 0.846 CB 1.491 17 residues pruned to eliminate duplicates Z: 12 13.083 1.733 0.625 0.925 1.000 0.909 CB 0.983 11 residues pruned to eliminate duplicates Z: 12 18.577 1.849 0.490 0.917 1.000 0.545 CB 1.435 11 residues pruned to eliminate duplicates Z: 12 7.939 1.621 0.281 0.809 1.000 0.818 CB 0.880 10 residues pruned to eliminate duplicates Z: 21 23.418 1.793 1.032 0.920 0.950 0.600 CB 1.065 21 residues pruned to eliminate duplicates Z: 10 11.571 1.737 1.169 0.520 0.889 0.444 CB 1.128 Z: 6 6.371 1.543 0.551 0.700 0.800 0.600 CB 1.241 Z: 13 13.958 1.662 0.290 0.854 1.000 0.917 CB 1.388 13 residues pruned to eliminate duplicates Z: 21 11.758 1.742 0.492 0.551 0.900 0.650 CB 1.070 11 residues pruned to eliminate duplicates Z: 12 13.525 1.717 0.373 0.846 0.909 0.909 CB 1.414 12 residues pruned to eliminate duplicates Z: 26 16.613 1.740 0.442 0.657 0.960 0.600 CB 1.192 Z: 8 5.907 1.693 0.474 0.840 0.857 0.714 CB 0.779 8 residues pruned to eliminate duplicates Z: 13 15.915 1.689 0.698 0.911 0.917 0.583 CB 1.239 Z: 26 16.049 1.633 0.460 0.787 0.840 0.560 CB 1.245 Z: 22 14.714 1.872 0.479 0.557 0.810 0.524 CB 1.356 22 residues pruned to eliminate duplicates Z: 12 14.325 1.723 0.323 0.884 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 11 16.680 1.882 0.312 0.912 1.000 0.800 CB 1.514 11 residues pruned to eliminate duplicates Z: 12 6.405 1.519 0.073 0.836 1.000 0.818 CB 0.887 Z: 18 15.528 1.637 0.538 0.891 1.000 0.824 CB 1.075 Z: 15 14.755 1.734 0.361 0.880 1.000 1.000 CB 1.211 15 residues pruned to eliminate duplicates Z: 14 19.150 1.692 0.859 0.791 1.000 0.769 CB 1.309 Z: 13 12.196 1.609 0.258 0.904 1.000 0.833 CB 1.239 12 residues pruned to eliminate duplicates Z: 9 6.865 1.650 0.621 0.525 0.750 0.500 CB 1.181 Z: 9 4.075 1.572 0.277 0.227 1.000 0.750 CB 0.986 Z: 8 5.488 1.756 0.357 0.468 0.857 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 13 12.430 1.645 0.419 0.823 0.917 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 7 7.311 1.778 0.637 0.506 0.833 0.500 CB 1.223 Z: 12 10.811 1.843 0.478 0.854 0.909 0.636 CB 0.972 Z: 12 10.728 1.733 0.235 0.858 0.909 0.727 CB 1.224 12 residues pruned to eliminate duplicates Z: 13 16.906 1.736 0.350 0.924 1.000 0.917 CA 1.462 13 residues pruned to eliminate duplicates Z: 9 9.193 1.498 0.547 0.813 0.875 0.625 CA 1.221 9 residues pruned to eliminate duplicates Z: 11 12.981 1.829 0.560 0.884 0.900 0.600 CB 1.154 11 residues pruned to eliminate duplicates Z: 6 8.544 2.055 0.236 0.768 1.000 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 11 9.386 1.576 0.508 0.816 1.000 0.600 CB 0.949 Z: 22 13.480 1.802 0.427 0.481 0.905 0.476 CB 1.289 19 residues pruned to eliminate duplicates Z: 8 4.903 1.384 0.306 0.778 0.857 0.857 N 0.936 Z: 12 20.048 1.926 0.786 0.829 0.909 0.636 CB 1.454 12 residues pruned to eliminate duplicates Z: 8 16.115 1.701 1.080 0.810 1.000 0.857 CB 1.315 Z: 24 20.717 1.726 0.784 0.899 0.957 0.652 CB 1.049 24 residues pruned to eliminate duplicates Z: 11 8.099 1.740 0.641 0.441 0.800 0.400 CB 1.191 Z: 8 3.050 1.324 0.544 0.594 0.857 0.571 N 0.601 Z: 16 17.097 1.981 0.632 0.588 0.933 0.467 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 13.711 1.633 0.257 0.834 1.000 0.571 CB 1.338 15 residues pruned to eliminate duplicates Z: 14 14.132 1.797 0.360 0.912 1.000 0.923 CB 1.136 Z: 10 7.985 1.655 0.941 0.840 0.889 0.667 CB 0.696 Z: 13 4.779 1.739 0.900 0.160 0.500 0.333 CB 1.266 Z: 14 14.773 1.848 0.493 0.833 0.923 0.846 CB 1.206 14 residues pruned to eliminate duplicates Z: 12 23.320 1.902 0.793 0.846 1.000 0.545 N 1.532 12 residues pruned to eliminate duplicates Z: 24 23.034 1.742 0.636 0.906 1.000 0.739 CB 1.199 25 residues pruned to eliminate duplicates Z: 24 15.944 1.604 0.432 0.875 0.913 0.870 CB 1.153 Z: 12 18.449 1.793 0.722 0.871 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 13.984 1.726 0.452 0.905 1.000 0.833 CB 1.146 13 residues pruned to eliminate duplicates Z: 18 17.792 1.649 0.506 0.937 0.941 0.941 CB 1.285 18 residues pruned to eliminate duplicates Z: 7 8.639 1.667 0.459 0.687 1.000 0.833 CA 1.222 7 residues pruned to eliminate duplicates Z: 26 21.420 1.734 0.666 0.885 0.960 0.840 CB 1.115 26 residues pruned to eliminate duplicates Z: 9 10.204 1.687 0.510 0.893 1.000 0.875 CB 1.017 Z: 12 12.212 1.888 0.203 0.914 1.000 1.000 CB 1.147 12 residues pruned to eliminate duplicates Z: 12 13.223 1.646 0.473 0.865 1.000 0.909 N 1.204 Z: 25 20.668 1.730 0.738 0.897 0.958 0.833 CB 1.049 12 residues pruned to eliminate duplicates Z: 19 15.804 1.965 0.723 0.538 0.833 0.500 CB 1.272 25 residues pruned to eliminate duplicates Z: 11 4.719 1.506 0.184 0.402 0.800 0.400 N 1.160 Z: 10 8.533 1.706 0.582 0.760 0.889 0.778 CB 0.941 11 residues pruned to eliminate duplicates Z: 16 15.669 1.798 0.658 0.852 0.933 0.800 CB 1.076 15 residues pruned to eliminate duplicates Z: 9 13.373 1.626 0.726 0.855 1.000 0.875 N 1.244 8 residues pruned to eliminate duplicates Z: 16 16.442 1.822 0.518 0.786 0.867 0.867 CB 1.377 15 residues pruned to eliminate duplicates Z: 14 16.944 1.826 0.298 0.946 1.000 1.000 CB 1.371 14 residues pruned to eliminate duplicates Z: 6 5.976 1.799 0.694 0.860 1.000 1.000 CB 0.644 Z: 12 20.422 1.903 0.644 0.903 1.000 0.909 CB 1.402 13 residues pruned to eliminate duplicates Z: 11 8.788 1.717 0.525 0.474 0.900 0.700 CB 1.211 11 residues pruned to eliminate duplicates Z: 13 14.065 1.679 0.405 0.864 0.917 0.833 CB 1.376 13 residues pruned to eliminate duplicates Z: 6 2.734 1.641 0.130 0.297 0.600 0.600 O 1.379 Z: 16 3.008 1.359 0.550 0.173 0.600 0.467 CB 0.914 Z: 13 16.239 1.611 0.813 0.781 0.917 0.583 CB 1.367 9 residues pruned to eliminate duplicates Z: 11 13.114 1.725 0.578 0.898 1.000 1.000 CB 1.090 Z: 9 7.133 1.543 0.391 0.444 1.000 0.375 CA 1.245 Z: 12 10.833 1.506 0.616 0.815 1.000 0.727 CB 1.021 11 residues pruned to eliminate duplicates Z: 26 15.119 1.660 0.425 0.851 0.920 0.760 CB 1.029 26 residues pruned to eliminate duplicates Z: 11 5.536 1.497 0.425 0.475 0.900 0.400 CB 0.935 Z: 13 5.922 1.574 0.399 0.360 0.833 0.333 CB 1.083 13 residues pruned to eliminate duplicates Z: 8 5.351 1.534 0.476 0.833 0.571 0.571 CA 1.173 8 residues pruned to eliminate duplicates Z: 11 16.831 1.853 0.435 0.857 1.000 0.800 CA 1.475 11 residues pruned to eliminate duplicates Z: 20 9.252 1.837 0.270 0.500 0.842 0.632 CB 1.081 11 residues pruned to eliminate duplicates Z: 12 11.012 1.628 0.594 0.899 1.000 0.818 CB 0.915 12 residues pruned to eliminate duplicates Z: 12 12.247 1.660 0.208 0.903 1.000 1.000 CB 1.312 12 residues pruned to eliminate duplicates Z: 6 4.149 1.723 0.013 0.518 0.800 0.400 N 1.305 6 residues pruned to eliminate duplicates Z: 11 2.947 1.473 0.644 0.559 0.900 0.700 CB 0.404 7 residues pruned to eliminate duplicates Z: 7 10.717 1.989 0.105 0.824 1.000 0.833 CB 1.503 7 residues pruned to eliminate duplicates Z: 23 16.533 1.900 0.319 0.541 1.000 0.591 CB 1.351 16 residues pruned to eliminate duplicates Z: 12 13.149 1.769 0.535 0.929 1.000 0.909 CB 1.022 12 residues pruned to eliminate duplicates Z: 24 16.272 1.596 0.463 0.855 0.870 0.652 CB 1.234 25 residues pruned to eliminate duplicates Z: 13 17.610 1.817 0.457 0.897 1.000 0.750 CB 1.375 13 residues pruned to eliminate duplicates Z: 12 20.862 1.836 0.704 0.824 1.000 0.545 CB 1.518 12 residues pruned to eliminate duplicates Z: 13 13.569 1.688 0.537 0.858 1.000 0.833 CB 1.112 12 residues pruned to eliminate duplicates Z: 14 7.999 1.714 0.466 0.695 0.846 0.615 CB 0.873 14 residues pruned to eliminate duplicates Z: 10 8.658 1.582 0.231 0.898 1.000 1.000 CB 1.060 8 residues pruned to eliminate duplicates Z: 6 2.147 1.653 0.432 0.293 0.600 0.400 CB 0.853 Z: 14 12.362 1.807 0.210 0.933 1.000 1.000 CB 1.095 14 residues pruned to eliminate duplicates Z: 18 14.932 1.690 0.203 0.902 1.000 0.941 CB 1.271 17 residues pruned to eliminate duplicates Z: 11 3.112 1.488 0.211 0.324 0.800 0.300 CB 0.828 Z: 13 12.391 1.775 0.350 0.914 1.000 0.917 CB 1.055 13 residues pruned to eliminate duplicates 6 1.253 1.384 0.405 0.460 0.800 0.600 CB 0.375 ? Z: 15 10.380 1.574 0.400 0.802 0.857 0.643 CB 1.128 15 residues pruned to eliminate duplicates Z: 9 7.548 1.524 0.456 0.766 1.000 1.000 CB 0.950 8 residues pruned to eliminate duplicates Z: 11 4.429 1.578 0.149 0.736 0.800 0.800 CB 0.781 Z: 9 4.251 1.722 0.251 0.301 0.625 0.500 N 1.393 Z: 10 5.332 1.648 1.037 0.340 0.667 0.333 CB 0.946 Z: 15 13.115 1.529 0.720 0.852 0.929 0.857 CB 1.061 15 residues pruned to eliminate duplicates Z: 11 17.550 1.835 0.605 0.907 1.000 1.000 CB 1.339 10 residues pruned to eliminate duplicates Z: 12 20.870 1.902 0.603 0.893 1.000 0.909 CB 1.482 21 residues pruned to eliminate duplicates Z: 12 9.010 1.640 0.139 0.772 1.000 0.545 CA 1.143 12 residues pruned to eliminate duplicates Z: 13 20.923 1.821 0.629 0.915 1.000 0.917 CB 1.439 14 residues pruned to eliminate duplicates Z: 10 8.057 1.581 0.423 0.854 0.889 0.667 CB 0.991 Z: 9 9.207 1.555 0.607 0.836 1.000 0.875 CB 0.975 9 residues pruned to eliminate duplicates Z: 12 14.495 1.776 0.435 0.899 1.000 0.727 CB 1.226 12 residues pruned to eliminate duplicates Z: 7 4.638 1.622 0.428 0.836 0.833 0.667 CB 0.734 Z: 10 6.035 1.606 0.364 0.767 0.889 0.667 CB 0.816 10 residues pruned to eliminate duplicates Z: 8 5.794 1.718 0.126 0.436 0.857 0.714 CB 1.411 Z: 11 19.638 1.821 0.751 0.860 1.000 1.000 CA 1.432 11 residues pruned to eliminate duplicates Z: 6 9.350 1.840 0.289 0.742 1.000 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 14 12.164 1.677 0.465 0.613 1.000 0.615 CB 1.235 Z: 18 14.438 1.724 0.536 0.851 1.000 0.824 CB 0.979 18 residues pruned to eliminate duplicates Z: 10 5.534 1.550 0.374 0.508 0.778 0.444 N 1.104 11 residues pruned to eliminate duplicates Z: 14 5.356 1.716 0.362 0.238 0.923 0.538 CB 0.934 4 residues pruned to eliminate duplicates Z: 12 17.392 1.733 0.575 0.873 1.000 0.909 CA 1.399 12 residues pruned to eliminate duplicates Z: 9 9.090 1.677 0.523 0.494 1.000 0.625 CB 1.266 9 residues pruned to eliminate duplicates Z: 12 8.121 1.581 0.885 0.650 1.000 0.545 CB 0.714 8 residues pruned to eliminate duplicates Z: 10 8.593 1.605 0.678 0.853 0.889 0.889 CB 0.884 5 residues pruned to eliminate duplicates Z: 6 2.605 1.591 0.282 0.412 0.600 0.400 CB 1.044 Z: 6 3.329 1.665 0.063 0.587 0.800 0.600 CB 0.967 Z: 11 12.941 1.718 0.407 0.889 1.000 1.000 CB 1.219 11 residues pruned to eliminate duplicates Z: 11 11.061 1.517 0.590 0.803 0.900 0.900 CB 1.237 11 residues pruned to eliminate duplicates Z: 11 9.533 1.580 0.095 0.904 1.000 0.900 CA 1.241 12 residues pruned to eliminate duplicates Z: 13 12.007 1.739 0.268 0.807 0.833 0.833 N 1.444 12 residues pruned to eliminate duplicates Z: 11 5.976 1.473 0.670 0.438 0.800 0.500 CB 1.024 Z: 8 8.354 1.785 0.287 0.904 1.000 1.000 CB 0.979 10 residues pruned to eliminate duplicates Z: 6 10.311 1.762 0.676 0.836 1.000 1.000 N 1.169 6 residues pruned to eliminate duplicates Z: 12 14.047 1.699 0.364 0.885 1.000 1.000 N 1.319 12 residues pruned to eliminate duplicates Z: 14 11.159 1.615 0.569 0.848 0.923 0.692 CB 0.982 10 residues pruned to eliminate duplicates Z: 13 16.504 1.742 0.898 0.810 0.917 0.833 CB 1.200 14 residues pruned to eliminate duplicates Z: 9 5.770 1.736 0.341 0.464 0.750 0.375 CB 1.211 5 residues pruned to eliminate duplicates Z: 10 5.314 1.595 0.648 0.244 0.778 0.556 CB 1.164 Z: 14 11.594 1.608 0.615 0.844 0.846 0.692 CB 1.088 14 residues pruned to eliminate duplicates Z: 12 8.503 1.711 0.202 0.893 1.000 0.909 CB 0.895 12 residues pruned to eliminate duplicates Z: 9 8.609 1.519 0.956 0.815 0.750 0.750 N 1.039 6 residues pruned to eliminate duplicates Z: 16 10.579 1.821 0.695 0.506 0.867 0.467 CB 1.015 16 residues pruned to eliminate duplicates Z: 8 7.967 1.586 0.166 0.747 1.000 0.714 O 1.306 7 residues pruned to eliminate duplicates Z: 9 5.317 1.512 0.691 0.440 0.875 0.625 CB 0.894 9 residues pruned to eliminate duplicates Z: 6 2.522 1.455 0.219 0.419 0.800 0.400 CB 0.865 Z: 24 17.311 1.703 0.722 0.892 1.000 0.652 CB 0.884 24 residues pruned to eliminate duplicates Z: 11 15.259 1.804 0.632 0.848 0.900 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 9 3.427 1.791 0.191 0.410 0.625 0.625 CB 0.999 Z: 12 11.466 1.746 0.568 0.827 0.818 0.818 CB 1.163 12 residues pruned to eliminate duplicates Z: 24 10.697 1.816 0.326 0.356 0.783 0.435 CB 1.383 21 residues pruned to eliminate duplicates Z: 11 13.661 1.655 0.660 0.892 1.000 0.700 CB 1.130 Z: 7 2.567 1.418 0.494 0.838 0.667 0.500 CB 0.555 Z: 6 3.399 1.798 0.533 0.444 0.800 0.800 CB 0.731 6 residues pruned to eliminate duplicates Z: 9 2.606 1.665 0.119 0.873 1.000 0.750 CB 0.360 9 residues pruned to eliminate duplicates Z: 7 3.253 1.485 0.289 0.646 1.000 1.000 CB 0.605 Z: 22 19.478 1.766 0.574 0.900 1.000 0.952 CB 1.093 22 residues pruned to eliminate duplicates 6 1.298 1.386 0.048 0.428 0.800 0.400 CB 0.538 ? Z: 13 13.819 1.628 0.532 0.860 0.917 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 12 17.620 1.672 0.706 0.897 1.000 0.818 N 1.333 12 residues pruned to eliminate duplicates Z: 14 16.226 1.768 0.429 0.891 1.000 0.769 CB 1.281 14 residues pruned to eliminate duplicates Z: 13 10.439 1.583 0.451 0.781 0.917 0.417 N 1.117 Z: 12 4.738 1.505 0.332 0.479 0.909 0.455 N 0.800 Z: 6 2.004 1.706 0.288 0.794 1.000 0.800 CB 0.315 Z: 13 8.159 1.598 -0.080 0.865 1.000 0.917 O 1.173 13 residues pruned to eliminate duplicates Z: 11 9.763 1.620 0.380 0.702 0.900 0.700 CB 1.277 11 residues pruned to eliminate duplicates Z: 11 9.424 1.639 0.474 0.841 1.000 0.800 CB 0.920 11 residues pruned to eliminate duplicates Z: 13 15.547 1.691 0.540 0.871 1.000 0.917 CA 1.257 11 residues pruned to eliminate duplicates Z: 9 11.041 1.590 0.453 0.863 1.000 0.875 CB 1.239 9 residues pruned to eliminate duplicates 6 1.495 1.521 0.080 0.361 0.800 0.400 CB 0.591 ? Z: 10 7.842 1.503 0.361 0.866 0.889 0.667 N 1.053 9 residues pruned to eliminate duplicates Z: 12 14.799 1.750 0.719 0.903 1.000 0.727 CB 1.058 12 residues pruned to eliminate duplicates Z: 17 11.387 1.787 0.410 0.596 0.875 0.562 CB 1.179 17 residues pruned to eliminate duplicates Z: 6 6.634 1.669 0.471 0.851 1.000 0.400 CB 0.895 6 residues pruned to eliminate duplicates Z: 7 3.892 1.570 0.466 0.266 0.833 0.667 CB 1.081 9 residues pruned to eliminate duplicates Z: 16 18.509 1.763 0.451 0.893 1.000 1.000 CB 1.342 15 residues pruned to eliminate duplicates Z: 7 4.085 1.540 0.443 0.453 0.667 0.500 CB 1.181 Z: 19 8.071 1.725 0.169 0.481 0.833 0.389 CB 1.154 19 residues pruned to eliminate duplicates Z: 12 8.097 1.638 0.651 0.513 0.909 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 10 11.934 1.614 0.581 0.903 1.000 1.000 CB 1.111 11 residues pruned to eliminate duplicates Z: 9 5.397 1.523 0.142 0.860 1.000 0.750 CB 0.807 8 residues pruned to eliminate duplicates Z: 10 16.684 1.850 0.585 0.852 1.000 0.778 CB 1.403 10 residues pruned to eliminate duplicates Z: 15 16.729 1.872 0.438 0.779 0.929 0.857 CB 1.399 15 residues pruned to eliminate duplicates Z: 7 5.772 1.665 0.454 0.310 1.000 0.500 N 1.203 6 residues pruned to eliminate duplicates Z: 7 2.776 1.515 0.281 0.821 0.833 0.667 CB 0.531 7 residues pruned to eliminate duplicates Z: 24 17.105 1.734 0.622 0.895 0.957 0.826 CB 0.950 24 residues pruned to eliminate duplicates Z: 15 11.723 1.482 0.594 0.875 0.929 0.429 CB 1.038 13 residues pruned to eliminate duplicates Z: 7 5.509 1.389 0.801 0.743 1.000 0.667 CB 0.723 Z: 6 4.486 1.457 0.261 0.790 1.000 0.800 CB 0.846 Z: 13 14.355 1.696 0.558 0.903 0.917 0.750 CB 1.219 13 residues pruned to eliminate duplicates Z: 8 2.528 1.541 -0.033 0.409 0.857 0.571 CB 0.823 Z: 26 17.951 1.691 0.749 0.883 0.920 0.520 CB 0.954 26 residues pruned to eliminate duplicates 6 1.891 1.359 0.105 0.297 0.600 0.600 CB 1.177 ? Z: 12 17.017 1.719 0.934 0.902 1.000 0.909 N 1.101 12 residues pruned to eliminate duplicates Z: 8 15.506 1.960 0.969 0.883 1.000 1.000 CB 1.098 8 residues pruned to eliminate duplicates Z: 6 2.516 1.220 0.665 0.289 0.800 0.800 O 0.877 Z: 24 18.522 1.765 0.656 0.899 1.000 0.783 CB 0.944 24 residues pruned to eliminate duplicates Z: 14 9.358 1.804 0.407 0.430 0.923 0.308 CB 1.191 14 residues pruned to eliminate duplicates Z: 13 15.096 1.762 0.893 0.871 1.000 0.833 CB 0.953 13 residues pruned to eliminate duplicates Z: 11 11.809 1.763 0.499 0.752 0.900 0.600 CA 1.254 11 residues pruned to eliminate duplicates Z: 21 15.024 1.706 0.397 0.898 1.000 0.950 CB 1.008 21 residues pruned to eliminate duplicates Z: 11 13.410 1.661 0.512 0.900 1.000 0.800 N 1.206 11 residues pruned to eliminate duplicates Z: 6 2.426 0.887 0.676 0.564 1.000 0.400 N 0.685 Z: 6 6.750 1.613 0.212 0.621 1.000 0.800 CA 1.377 6 residues pruned to eliminate duplicates Z: 10 10.139 1.597 0.280 0.889 1.000 0.889 CB 1.191 10 residues pruned to eliminate duplicates 7 1.383 1.416 0.323 0.346 0.667 0.500 CB 0.534 ? Z: 10 13.485 1.527 0.748 0.885 0.889 0.778 N 1.368 10 residues pruned to eliminate duplicates Z: 6 3.057 1.729 0.259 0.874 1.000 1.000 CB 0.457 6 residues pruned to eliminate duplicates Z: 10 8.462 1.627 0.315 0.827 0.889 0.778 CB 1.118 10 residues pruned to eliminate duplicates Z: 11 14.668 1.750 0.676 0.838 0.900 0.700 CB 1.314 13 residues pruned to eliminate duplicates Z: 7 9.472 1.459 0.907 0.826 1.000 0.833 N 1.048 7 residues pruned to eliminate duplicates Z: 7 4.392 1.497 0.901 0.381 0.833 0.500 CB 0.858 Z: 11 8.364 1.543 0.340 0.823 1.000 0.500 CB 0.967 11 residues pruned to eliminate duplicates Z: 8 10.998 1.708 0.817 0.889 1.000 0.857 CB 0.964 9 residues pruned to eliminate duplicates Z: 8 17.888 1.922 1.096 0.852 1.000 0.714 CB 1.241 8 residues pruned to eliminate duplicates Z: 10 9.916 1.726 0.227 0.856 0.889 0.889 N 1.295 10 residues pruned to eliminate duplicates Z: 9 9.716 1.523 1.179 0.636 0.875 0.500 N 1.042 9 residues pruned to eliminate duplicates Z: 12 15.765 1.738 0.516 0.840 1.000 0.818 N 1.346 13 residues pruned to eliminate duplicates Z: 15 7.193 1.805 0.129 0.468 0.786 0.357 CB 1.240 15 residues pruned to eliminate duplicates Z: 12 16.060 1.809 0.593 0.928 1.000 0.818 CB 1.176 12 residues pruned to eliminate duplicates 6 1.789 1.408 -0.182 0.477 0.800 0.400 CB 0.889 ? Z: 7 7.608 1.693 0.469 0.672 0.833 0.667 CB 1.278 7 residues pruned to eliminate duplicates Z: 14 12.687 1.890 0.607 0.531 0.846 0.692 CB 1.328 14 residues pruned to eliminate duplicates Z: 6 4.119 1.682 0.116 0.472 0.800 0.600 CB 1.262 Z: 13 5.429 1.539 0.449 0.494 0.750 0.333 CB 0.943 Z: 11 14.808 1.702 0.408 0.867 1.000 0.900 N 1.429 11 residues pruned to eliminate duplicates Z: 11 16.145 1.859 0.507 0.912 1.000 0.900 CB 1.291 11 residues pruned to eliminate duplicates Z: 13 12.726 1.695 0.486 0.901 1.000 0.917 CB 1.041 13 residues pruned to eliminate duplicates Z: 19 16.457 1.723 0.591 0.854 1.000 0.833 CB 1.045 19 residues pruned to eliminate duplicates Z: 12 9.058 1.476 0.804 0.838 1.000 0.818 CB 0.767 12 residues pruned to eliminate duplicates Z: 10 8.741 1.629 0.110 0.841 0.889 0.667 CB 1.351 10 residues pruned to eliminate duplicates Z: 7 3.224 1.470 0.804 0.259 0.667 0.500 N 0.981 Z: 10 4.408 1.570 0.255 0.787 0.889 0.556 CB 0.652 11 residues pruned to eliminate duplicates Z: 23 9.344 1.667 0.151 0.440 0.909 0.455 CB 1.215 20 residues pruned to eliminate duplicates Z: 11 11.419 1.661 0.305 0.890 1.000 0.800 CB 1.198 11 residues pruned to eliminate duplicates Z: 8 10.530 1.716 0.815 0.836 0.857 0.429 N 1.116 8 residues pruned to eliminate duplicates Z: 6 2.340 1.313 0.538 0.297 0.600 0.400 CB 1.083 Z: 21 7.506 1.738 0.178 0.470 0.850 0.500 CB 0.994 15 residues pruned to eliminate duplicates Z: 12 12.713 1.619 0.496 0.837 1.000 0.909 CB 1.184 12 residues pruned to eliminate duplicates Z: 14 17.898 1.614 0.555 0.913 1.000 0.923 CA 1.400 13 residues pruned to eliminate duplicates Z: 6 5.587 1.519 0.757 0.864 1.000 1.000 CB 0.686 5 residues pruned to eliminate duplicates Z: 8 4.871 1.515 0.355 0.471 0.857 0.429 CB 1.078 Z: 12 9.792 1.568 0.563 0.904 0.909 0.727 CB 0.944 12 residues pruned to eliminate duplicates Z: 6 4.021 1.786 -0.192 0.858 1.000 0.800 CB 0.918 6 residues pruned to eliminate duplicates Z: 7 2.418 1.461 0.338 0.371 0.667 0.333 CB 0.870 Z: 7 3.517 1.241 0.452 0.780 0.833 0.667 CB 0.747 Z: 16 6.309 1.454 0.549 0.439 0.933 0.533 CB 0.825 Z: 9 5.187 1.419 0.481 0.426 1.000 0.500 CB 0.943 Z: 21 11.360 1.697 0.649 0.500 0.850 0.550 CB 1.068 33 residues pruned to eliminate duplicates Z: 7 4.527 1.784 -0.062 0.457 0.833 0.167 CB 1.385 7 residues pruned to eliminate duplicates Z: 11 4.717 1.541 0.200 0.565 0.800 0.800 CB 0.947 17 residues pruned to eliminate duplicates Z: 15 7.234 1.642 0.308 0.420 0.857 0.500 CB 1.141 14 residues pruned to eliminate duplicates Z: 16 13.189 1.469 0.585 0.813 0.933 0.733 CB 1.193 16 residues pruned to eliminate duplicates Z: 7 8.122 1.593 0.361 0.779 1.000 0.500 CA 1.196 7 residues pruned to eliminate duplicates Z: 11 15.097 1.785 0.683 0.914 1.000 0.900 CB 1.123 11 residues pruned to eliminate duplicates Z: 14 5.304 1.364 0.615 0.385 0.769 0.308 N 0.981 9 residues pruned to eliminate duplicates Z: 10 6.870 1.468 0.342 0.859 1.000 0.889 CB 0.855 Z: 7 3.485 1.608 0.174 0.435 0.667 0.500 N 1.209 Z: 6 4.375 1.588 0.351 0.638 0.800 0.400 CB 1.002 6 residues pruned to eliminate duplicates Z: 14 8.600 1.617 0.634 0.616 0.846 0.538 CB 0.956 14 residues pruned to eliminate duplicates Z: 7 5.369 1.469 0.252 0.728 0.833 0.667 O 1.164 Z: 6 2.450 1.484 0.491 0.484 0.600 0.600 N 0.839 Z: 10 14.480 1.735 0.613 0.869 1.000 0.556 CB 1.261 10 residues pruned to eliminate duplicates Z: 7 4.783 1.504 0.541 0.507 0.833 0.333 CB 1.004 7 residues pruned to eliminate duplicates Z: 11 8.398 1.528 0.382 0.788 1.000 0.400 CB 0.976 11 residues pruned to eliminate duplicates Z: 8 3.425 1.555 0.800 0.210 0.571 0.429 CB 1.140 8 residues pruned to eliminate duplicates Z: 10 7.161 1.506 0.223 0.908 1.000 1.000 CB 0.921 10 residues pruned to eliminate duplicates Z: 9 8.861 1.641 0.402 0.883 1.000 1.000 CB 0.984 9 residues pruned to eliminate duplicates Z: 11 13.950 1.684 0.756 0.676 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 14 8.981 1.724 0.507 0.804 0.846 0.615 CB 0.869 14 residues pruned to eliminate duplicates Z: 8 5.697 1.579 0.498 0.513 0.857 0.571 CB 1.048 Z: 17 10.178 1.738 0.485 0.596 0.875 0.688 CB 1.028 14 residues pruned to eliminate duplicates Z: 8 5.364 1.464 0.852 0.305 0.857 0.429 N 1.084 Z: 12 10.924 1.595 0.504 0.852 0.909 0.818 CB 1.118 12 residues pruned to eliminate duplicates Z: 12 9.022 1.495 0.596 0.630 0.818 0.455 CB 1.233 12 residues pruned to eliminate duplicates Z: 6 2.863 1.338 -0.045 0.699 1.000 0.800 CB 0.836 Z: 26 15.439 1.784 0.451 0.587 1.000 0.760 CB 1.098 26 residues pruned to eliminate duplicates Z: 16 15.504 1.723 0.588 0.668 0.933 0.733 CB 1.342 10 residues pruned to eliminate duplicates Z: 12 7.018 1.652 0.605 0.471 0.818 0.545 CB 1.004 Z: 8 5.166 1.620 0.703 0.792 0.571 0.429 CB 0.959 18 residues pruned to eliminate duplicates Z: 25 18.748 1.568 0.535 0.931 0.958 0.917 CB 1.159 24 residues pruned to eliminate duplicates Z: 10 14.176 1.773 0.499 0.836 1.000 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 17 15.945 1.833 0.368 0.741 1.000 0.812 CB 1.281 17 residues pruned to eliminate duplicates Z: 8 2.229 1.336 0.383 0.332 0.714 0.286 O 0.767 Z: 13 10.205 1.698 0.563 0.816 0.833 0.667 CB 1.012 13 residues pruned to eliminate duplicates Z: 11 9.850 1.575 0.266 0.900 1.000 0.900 CB 1.115 11 residues pruned to eliminate duplicates Z: 8 4.298 1.537 0.347 0.315 0.857 0.571 CB 1.122 8 residues pruned to eliminate duplicates Z: 12 17.002 1.767 0.620 0.865 0.909 0.545 CB 1.443 12 residues pruned to eliminate duplicates Z: 13 17.358 1.769 0.410 0.841 1.000 0.917 N 1.498 13 residues pruned to eliminate duplicates Z: 20 20.637 1.881 0.670 0.615 0.947 0.579 N 1.428 23 residues pruned to eliminate duplicates Z: 10 8.579 1.697 0.432 0.859 1.000 0.889 CB 0.866 Z: 11 7.829 1.654 -0.083 0.899 1.000 1.000 CB 1.167 11 residues pruned to eliminate duplicates Z: 6 2.200 1.341 0.768 0.296 0.600 0.400 CB 0.869 Z: 23 16.429 1.685 0.530 0.868 1.000 0.773 CB 0.993 23 residues pruned to eliminate duplicates Z: 26 18.355 1.742 0.580 0.683 0.960 0.480 CB 1.175 26 residues pruned to eliminate duplicates Z: 12 5.170 1.467 0.438 0.501 0.727 0.182 CB 1.015 Z: 6 2.345 1.353 0.077 0.548 1.000 0.600 CB 0.687 Z: 13 17.998 1.715 0.680 0.880 1.000 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 17 18.306 1.674 0.494 0.908 1.000 0.938 CB 1.300 17 residues pruned to eliminate duplicates Z: 7 3.251 1.588 0.196 0.467 0.667 0.333 CB 1.084 Z: 9 4.390 1.714 0.193 0.396 0.750 0.375 CB 1.130 9 residues pruned to eliminate duplicates Z: 18 15.173 1.652 0.420 0.936 1.000 0.941 CB 1.093 18 residues pruned to eliminate duplicates Z: 6 2.656 1.225 0.683 0.604 0.800 0.800 CB 0.652 Z: 13 9.900 1.662 0.427 0.589 0.917 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 10 6.820 1.369 0.634 0.862 1.000 0.889 CB 0.746 Z: 8 3.856 1.653 0.161 0.748 1.000 0.714 CB 0.609 8 residues pruned to eliminate duplicates Z: 6 3.901 1.492 0.443 0.404 0.800 0.400 CB 1.121 5 residues pruned to eliminate duplicates Z: 12 6.756 1.531 0.135 0.724 0.909 0.727 CB 1.054 9 residues pruned to eliminate duplicates Z: 8 5.856 1.561 0.516 0.817 0.857 0.714 CB 0.828 8 residues pruned to eliminate duplicates Z: 9 10.456 1.699 0.656 0.912 1.000 1.000 CB 0.930 9 residues pruned to eliminate duplicates Z: 9 9.063 1.704 0.630 0.914 1.000 0.875 CB 0.816 10 residues pruned to eliminate duplicates Z: 12 15.986 1.821 0.519 0.906 1.000 1.000 CB 1.240 12 residues pruned to eliminate duplicates Z: 14 7.074 1.545 0.706 0.693 0.615 0.385 CB 1.014 14 residues pruned to eliminate duplicates Z: 12 9.301 1.614 0.307 0.797 0.818 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 10 10.449 1.410 0.561 0.798 1.000 0.444 CB 1.218 7 1.613 1.473 0.398 0.184 0.500 0.167 CB 0.934 ? Z: 11 7.115 1.609 0.733 0.659 0.800 0.600 CB 0.870 11 residues pruned to eliminate duplicates Z: 10 8.309 1.497 0.255 0.890 1.000 1.000 CB 1.061 10 residues pruned to eliminate duplicates Z: 18 8.303 1.554 0.645 0.483 0.882 0.706 CB 0.908 10 residues pruned to eliminate duplicates Z: 6 6.737 1.404 0.793 0.713 1.000 0.800 CB 0.987 Z: 12 18.894 1.795 0.578 0.853 1.000 0.636 CA 1.487 12 residues pruned to eliminate duplicates Z: 8 3.697 1.432 0.811 0.239 0.714 0.286 CB 1.021 Z: 8 2.031 1.287 0.243 0.308 0.857 0.286 N 0.693 Z: 14 12.569 1.701 0.525 0.665 0.846 0.769 N 1.363 14 residues pruned to eliminate duplicates Z: 11 9.867 1.576 0.426 0.750 1.000 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 6 7.900 1.525 0.479 0.803 1.000 0.800 N 1.203 Z: 6 2.014 1.379 0.358 0.293 0.600 0.400 CA 1.012 Z: 6 3.874 1.458 0.474 0.859 1.000 0.600 CB 0.594 7 1.424 1.467 0.303 0.285 0.500 0.167 N 0.775 ? Z: 8 6.239 1.730 0.283 0.785 0.857 0.714 CB 0.965 Z: 7 2.410 1.424 0.561 0.420 0.833 0.500 CB 0.577 Z: 7 3.260 1.450 0.477 0.287 0.667 0.333 CA 1.184 Z: 14 12.482 1.659 0.488 0.825 0.923 0.615 CB 1.147 14 residues pruned to eliminate duplicates Z: 11 5.914 1.401 0.362 0.652 0.900 0.300 CA 0.945 Z: 12 3.926 1.855 0.175 0.123 0.727 0.364 CB 1.198 Z: 9 7.383 1.667 0.536 0.850 1.000 0.875 CB 0.755 3 residues pruned to eliminate duplicates Z: 14 14.888 1.565 0.461 0.889 1.000 0.846 CB 1.300 15 residues pruned to eliminate duplicates Z: 6 3.992 1.296 0.655 0.371 1.000 0.600 CB 0.956 Z: 9 4.536 1.480 0.246 0.333 0.875 0.375 CB 1.193 7 residues pruned to eliminate duplicates Z: 13 21.857 1.853 0.929 0.853 1.000 0.833 CB 1.305 16 residues pruned to eliminate duplicates Z: 20 13.271 1.695 0.582 0.771 0.895 0.684 CB 0.999 20 residues pruned to eliminate duplicates Z: 7 3.959 1.789 0.056 0.863 1.000 1.000 CB 0.627 7 residues pruned to eliminate duplicates Z: 6 2.189 1.280 0.456 0.573 0.800 0.600 N 0.612 Z: 7 10.922 1.580 0.687 0.843 1.000 0.833 CB 1.246 7 residues pruned to eliminate duplicates Z: 10 3.681 1.316 0.406 0.358 0.778 0.444 CB 0.993 9 residues pruned to eliminate duplicates Z: 10 6.435 1.729 0.012 0.826 1.000 1.000 CB 0.925 Z: 6 4.581 1.584 0.048 0.623 1.000 0.800 CB 1.098 Z: 8 3.766 1.644 0.476 0.363 0.714 0.714 CB 0.952 Z: 13 9.594 1.704 0.295 0.758 0.833 0.750 CB 1.198 13 residues pruned to eliminate duplicates Z: 8 7.411 1.677 0.510 0.882 1.000 1.000 CB 0.801 8 residues pruned to eliminate duplicates Z: 14 11.186 1.526 0.483 0.868 0.923 0.846 CB 1.086 14 residues pruned to eliminate duplicates Z: 16 16.048 1.656 0.554 0.887 1.000 0.733 CB 1.161 14 residues pruned to eliminate duplicates Z: 8 7.220 1.540 0.326 0.850 1.000 0.714 CB 0.990 6 1.385 1.344 0.032 0.362 1.000 0.400 CB 0.518 ? Z: 14 23.707 1.809 0.795 0.924 1.000 0.923 CB 1.422 14 residues pruned to eliminate duplicates 7 1.715 1.270 0.027 0.314 0.833 0.500 N 0.791 ? Z: 11 5.202 1.476 0.037 0.909 1.000 0.900 CB 0.763 11 residues pruned to eliminate duplicates Z: 14 6.763 1.670 0.361 0.725 0.692 0.462 CB 0.973 14 residues pruned to eliminate duplicates Z: 10 4.016 1.578 0.077 0.418 0.778 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 13 11.908 1.643 0.473 0.902 1.000 0.917 CB 1.014 13 residues pruned to eliminate duplicates Z: 14 12.614 1.702 0.486 0.855 0.923 0.692 CB 1.106 14 residues pruned to eliminate duplicates Z: 6 3.289 1.543 0.397 0.566 0.600 0.400 CB 1.067 6 1.566 1.275 0.180 0.323 0.600 0.600 CB 0.943 ? Z: 8 7.588 1.520 0.188 0.904 1.000 0.857 CB 1.131 4 residues pruned to eliminate duplicates 6 1.487 1.138 0.510 0.562 0.800 0.400 CB 0.455 ? Z: 9 11.020 1.655 0.552 0.842 0.875 0.875 N 1.292 9 residues pruned to eliminate duplicates Z: 19 18.370 1.609 0.573 0.894 1.000 0.833 CB 1.228 19 residues pruned to eliminate duplicates Z: 12 7.214 1.629 0.252 0.528 0.909 0.818 N 1.140 12 residues pruned to eliminate duplicates Z: 20 12.678 1.502 0.662 0.724 0.895 0.526 CB 1.065 17 residues pruned to eliminate duplicates Z: 14 18.993 1.823 0.836 0.857 1.000 0.769 CB 1.160 15 residues pruned to eliminate duplicates Z: 9 5.879 1.844 0.181 0.851 1.000 1.000 CB 0.707 Z: 7 2.339 1.280 0.490 0.502 0.833 0.667 CB 0.599 Z: 10 3.534 1.373 0.544 0.300 0.889 0.333 CB 0.781 Z: 10 15.715 1.763 0.521 0.846 1.000 0.778 CB 1.450 11 residues pruned to eliminate duplicates Z: 14 16.462 1.692 0.533 0.881 1.000 0.846 CB 1.274 14 residues pruned to eliminate duplicates Z: 8 2.450 1.396 0.158 0.239 0.857 0.286 CB 0.904 Z: 12 16.870 1.676 0.961 0.815 0.909 0.727 N 1.294 12 residues pruned to eliminate duplicates Z: 7 2.367 1.046 0.126 0.836 1.000 0.833 C 0.614 Z: 8 2.671 1.616 0.538 0.202 0.857 0.286 CB 0.676 Z: 13 4.906 1.531 0.301 0.334 0.750 0.583 CB 1.137 Z: 9 6.702 1.617 0.297 0.541 0.875 0.750 N 1.240 Z: 15 10.671 1.669 0.577 0.608 0.857 0.786 CB 1.141 12 residues pruned to eliminate duplicates 6 1.274 1.352 0.244 0.164 0.600 0.400 CB 0.851 ? Z: 8 6.996 1.596 0.629 0.423 1.000 0.714 CB 1.103 8 residues pruned to eliminate duplicates Z: 8 2.607 1.461 0.435 0.282 0.571 0.429 N 1.052 Z: 15 10.507 1.512 0.880 0.809 0.857 0.500 CB 0.881 21 residues pruned to eliminate duplicates Z: 13 9.864 1.681 0.439 0.587 0.833 0.500 CB 1.300 13 residues pruned to eliminate duplicates Z: 14 12.810 1.690 0.294 0.790 0.923 0.923 CB 1.364 14 residues pruned to eliminate duplicates Z: 8 6.187 1.707 0.209 0.902 1.000 1.000 CB 0.808 Z: 6 4.154 1.446 0.345 0.802 1.000 1.000 CB 0.734 Z: 6 3.718 1.341 0.534 0.758 1.000 0.600 CB 0.643 6 residues pruned to eliminate duplicates Z: 21 15.962 1.632 0.407 0.880 1.000 0.850 CB 1.126 21 residues pruned to eliminate duplicates Z: 7 3.585 1.334 0.535 0.399 0.833 0.500 CB 0.954 6 0.790 1.312 0.133 0.100 0.600 0.200 N 0.660 ? Z: 7 2.221 1.194 0.586 0.572 0.667 0.500 N 0.670 Z: 11 19.855 1.887 0.665 0.877 1.000 0.800 CB 1.452 11 residues pruned to eliminate duplicates Z: 34 17.294 1.787 0.598 0.634 0.879 0.636 CB 1.058 27 residues pruned to eliminate duplicates Z: 7 6.079 1.714 0.358 0.848 1.000 0.833 CB 0.791 5 residues pruned to eliminate duplicates Z: 16 5.235 1.513 0.143 0.359 0.733 0.467 CB 1.241 16 residues pruned to eliminate duplicates Z: 11 17.646 1.808 0.553 0.883 1.000 1.000 CA 1.437 11 residues pruned to eliminate duplicates Z: 14 14.215 1.654 0.334 0.801 1.000 0.692 CB 1.372 14 residues pruned to eliminate duplicates Z: 13 6.897 1.432 0.209 0.852 0.917 0.667 CB 0.928 13 residues pruned to eliminate duplicates Z: 12 7.501 1.636 0.153 0.474 0.909 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 8 10.879 1.897 0.448 0.685 1.000 0.857 CB 1.264 8 residues pruned to eliminate duplicates Z: 25 16.892 1.627 0.512 0.852 0.917 0.625 CB 1.130 25 residues pruned to eliminate duplicates Z: 29 15.325 1.724 0.421 0.716 0.929 0.714 CB 1.047 33 residues pruned to eliminate duplicates Z: 6 2.544 1.544 0.310 0.717 0.800 0.400 CB 0.578 Z: 16 12.602 1.704 0.437 0.876 0.800 0.600 CB 1.208 16 residues pruned to eliminate duplicates Z: 13 12.575 1.492 0.903 0.808 0.917 0.667 N 1.067 13 residues pruned to eliminate duplicates Z: 11 5.201 1.603 0.748 0.747 0.800 0.600 CB 0.588 11 residues pruned to eliminate duplicates Z: 14 14.094 1.607 0.605 0.812 0.923 0.615 CB 1.252 14 residues pruned to eliminate duplicates 6 1.363 1.344 0.232 0.760 0.800 0.600 CB 0.365 ? Z: 9 3.693 1.488 0.419 0.206 0.750 0.250 N 1.168 6 1.499 1.649 0.469 0.871 1.000 0.800 CB 0.202 ? Z: 8 2.840 1.419 0.338 0.688 0.571 0.571 O 0.833 Z: 19 7.450 1.682 0.394 0.460 0.833 0.556 CB 0.936 18 residues pruned to eliminate duplicates Z: 14 16.869 1.716 0.521 0.883 0.923 0.769 CB 1.405 14 residues pruned to eliminate duplicates Z: 8 4.774 1.626 0.414 0.770 0.714 0.429 CB 0.865 Z: 12 5.371 1.690 0.440 0.359 0.727 0.364 CB 1.065 12 residues pruned to eliminate duplicates Z: 13 8.802 1.594 0.422 0.514 0.833 0.750 N 1.326 13 residues pruned to eliminate duplicates Z: 19 18.443 1.725 0.469 0.899 1.000 0.833 CB 1.226 19 residues pruned to eliminate duplicates Z: 12 18.828 1.840 0.567 0.861 1.000 1.000 CB 1.447 13 residues pruned to eliminate duplicates Z: 6 5.691 1.690 -0.038 0.706 1.000 0.800 O 1.299 Z: 14 11.766 1.733 0.391 0.736 0.923 0.538 CB 1.186 14 residues pruned to eliminate duplicates Z: 7 3.659 1.518 0.366 0.364 0.833 0.333 CA 1.001 Z: 15 7.277 1.556 0.651 0.280 0.714 0.429 N 1.359 13 residues pruned to eliminate duplicates 7 1.946 1.170 0.508 0.177 0.833 0.333 C 0.798 ? Z: 6 2.387 1.238 0.374 0.588 0.600 0.600 CB 0.961 Z: 16 6.780 1.552 0.254 0.493 0.867 0.667 CB 1.045 Z: 26 17.426 1.771 0.670 0.502 0.920 0.480 CB 1.278 26 residues pruned to eliminate duplicates Z: 7 3.088 1.365 1.069 0.427 0.667 0.167 CB 0.723 Z: 11 13.167 1.498 0.888 0.817 1.000 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 7 2.448 1.433 0.530 0.179 0.667 0.333 CB 1.007 Z: 10 2.966 1.357 0.412 0.375 0.667 0.444 CB 0.885 6 1.998 1.321 0.566 0.376 0.600 0.400 CB 0.822 ? Z: 6 5.265 1.613 0.231 0.475 1.000 0.400 CB 1.217 Z: 10 9.671 1.612 0.662 0.638 0.889 0.667 CA 1.189 10 residues pruned to eliminate duplicates Z: 15 13.746 1.844 0.700 0.730 0.929 0.714 CB 1.026 15 residues pruned to eliminate duplicates Z: 22 8.776 1.600 0.525 0.384 0.762 0.524 N 1.165 9 residues pruned to eliminate duplicates Z: 7 2.562 1.507 0.250 0.259 0.667 0.500 N 1.097 Z: 14 4.611 1.567 0.221 0.546 0.923 0.462 CB 0.692 14 residues pruned to eliminate duplicates Z: 6 2.497 1.375 1.243 0.843 0.800 0.600 CB 0.337 Z: 7 5.990 1.617 0.413 0.794 0.833 0.667 CB 0.992 7 residues pruned to eliminate duplicates Z: 13 15.537 1.796 0.428 0.852 1.000 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 8 2.204 1.262 0.537 0.330 0.571 0.429 O 0.905 7 residues pruned to eliminate duplicates Z: 9 6.833 1.527 0.811 0.903 1.000 1.000 CB 0.623 Z: 10 4.237 1.573 0.232 0.367 0.667 0.333 CB 1.261 5 residues pruned to eliminate duplicates Z: 9 8.005 1.648 0.151 0.870 1.000 0.875 CB 1.089 9 residues pruned to eliminate duplicates Z: 13 11.768 1.590 0.346 0.900 1.000 1.000 CB 1.134 12 residues pruned to eliminate duplicates 6 1.165 1.397 -0.228 0.475 0.600 0.400 CB 0.825 ? Z: 7 3.200 1.433 0.655 0.338 0.667 0.333 CB 0.985 Z: 20 17.947 1.806 0.719 0.587 0.842 0.579 CB 1.449 12 residues pruned to eliminate duplicates Z: 9 10.037 1.593 0.541 0.874 0.875 0.875 CB 1.203 14 residues pruned to eliminate duplicates Z: 6 3.404 1.320 0.517 0.445 0.800 0.400 O 1.005 Z: 7 5.316 1.750 -0.140 0.881 1.000 0.833 CB 1.044 7 residues pruned to eliminate duplicates Z: 13 11.060 1.571 0.522 0.875 1.000 1.000 CB 0.971 13 residues pruned to eliminate duplicates Z: 7 4.049 1.254 0.552 0.668 1.000 0.333 CB 0.727 Z: 21 15.134 1.806 0.513 0.518 0.900 0.600 CB 1.351 22 residues pruned to eliminate duplicates Z: 8 5.875 1.308 0.669 0.548 1.000 0.714 N 0.970 Z: 11 15.470 1.822 1.142 0.802 0.700 0.600 CA 1.375 11 residues pruned to eliminate duplicates Z: 12 13.020 1.721 0.134 0.910 1.000 0.909 CA 1.427 12 residues pruned to eliminate duplicates Z: 11 8.608 1.715 0.353 0.669 0.900 0.600 CB 1.115 11 residues pruned to eliminate duplicates Z: 22 12.083 1.766 0.400 0.650 0.857 0.810 CB 1.082 22 residues pruned to eliminate duplicates Z: 8 4.760 1.600 0.592 0.876 1.000 0.714 CB 0.513 Z: 8 2.857 1.328 0.809 0.424 0.571 0.429 CB 0.851 Z: 14 4.898 1.433 0.463 0.264 0.846 0.462 N 1.002 Z: 8 5.947 1.576 1.254 0.857 1.000 0.429 CB 0.466 8 residues pruned to eliminate duplicates Z: 11 3.994 1.534 0.052 0.575 0.900 0.600 CB 0.809 Z: 18 11.354 1.786 0.279 0.829 0.941 0.765 CB 0.964 18 residues pruned to eliminate duplicates Z: 9 6.300 1.561 0.108 0.899 1.000 1.000 CB 0.920 9 residues pruned to eliminate duplicates Z: 8 7.315 1.925 -0.083 0.635 1.000 0.714 CB 1.381 8 residues pruned to eliminate duplicates Z: 17 14.397 1.655 0.470 0.761 0.938 0.812 CB 1.251 17 residues pruned to eliminate duplicates Z: 6 4.839 1.674 0.812 0.858 1.000 0.800 CB 0.525 6 residues pruned to eliminate duplicates Z: 16 18.327 1.755 0.530 0.898 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 7 2.901 1.407 0.359 0.392 0.667 0.500 N 1.042 Z: 8 2.152 1.355 0.523 0.282 0.571 0.429 CB 0.882 Z: 8 3.349 1.685 0.117 0.311 0.857 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 16 9.340 1.471 0.419 0.814 1.000 0.600 CB 0.879 16 residues pruned to eliminate duplicates Z: 9 4.182 1.547 0.224 0.489 0.875 0.500 CB 0.902 Z: 19 19.072 1.689 0.911 0.879 0.944 0.444 CB 1.070 19 residues pruned to eliminate duplicates Z: 7 3.251 1.273 0.504 0.556 0.667 0.167 CB 0.985 7 residues pruned to eliminate duplicates Z: 9 2.663 1.344 0.306 0.235 0.875 0.250 CB 0.834 9 residues pruned to eliminate duplicates Z: 6 3.813 1.319 0.775 0.470 0.800 0.400 CB 0.940 Z: 14 6.843 1.644 0.656 0.337 0.769 0.538 CB 1.083 14 residues pruned to eliminate duplicates Z: 11 3.314 1.528 0.423 0.236 0.500 0.300 CB 1.309 11 residues pruned to eliminate duplicates Z: 6 2.836 1.197 0.588 0.446 0.800 0.400 CB 0.881 Using tripeptides from previous cycle as seeds Z: 12 16.465 1.786 0.546 0.893 1.000 0.818 CB 1.291 12 residues pruned to eliminate duplicates Z: 13 13.507 1.754 0.606 0.782 0.917 0.500 CB 1.178 12 residues pruned to eliminate duplicates Z: 12 16.410 1.814 0.488 0.895 1.000 0.727 CB 1.314 13 residues pruned to eliminate duplicates Z: 12 15.501 1.793 0.644 0.770 1.000 0.818 CB 1.249 12 residues pruned to eliminate duplicates Z: 12 15.038 1.711 0.616 0.831 0.909 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 14 11.492 1.715 0.637 0.632 0.923 0.462 CB 1.087 14 residues pruned to eliminate duplicates Z: 19 11.284 1.579 0.728 0.512 0.833 0.444 CB 1.155 18 residues pruned to eliminate duplicates Z: 12 12.112 1.808 0.608 0.776 0.818 0.545 CB 1.203 12 residues pruned to eliminate duplicates Z: 16 11.162 1.672 0.591 0.630 0.800 0.600 CB 1.199 16 residues pruned to eliminate duplicates Z: 7 2.260 1.619 -0.082 0.243 0.667 0.500 CB 1.254 7 residues pruned to eliminate duplicates Z: 8 2.951 1.657 0.091 0.338 0.571 0.286 CB 1.289 8 residues pruned to eliminate duplicates Z: 8 3.955 1.617 -0.015 0.457 0.714 0.286 CB 1.372 8 residues pruned to eliminate duplicates Z: 6 4.874 1.531 -0.157 0.809 1.000 0.200 CB 1.290 6 residues pruned to eliminate duplicates Z: 13 14.721 1.721 0.353 0.821 1.000 0.833 CB 1.382 13 residues pruned to eliminate duplicates Z: 15 9.943 1.672 0.394 0.625 0.857 0.714 CB 1.182 15 residues pruned to eliminate duplicates Z: 13 10.186 1.736 0.141 0.735 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 15 9.685 1.663 0.419 0.640 0.857 0.714 CB 1.122 15 residues pruned to eliminate duplicates Z: 11 13.247 1.833 0.543 0.779 0.900 0.600 CB 1.287 12 residues pruned to eliminate duplicates Z: 12 14.946 1.684 0.442 0.864 1.000 0.909 CB 1.360 12 residues pruned to eliminate duplicates Z: 12 11.081 1.731 0.361 0.749 0.909 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 10 11.700 1.791 0.316 0.767 0.889 0.778 CB 1.469 9 residues pruned to eliminate duplicates Z: 12 17.193 1.740 0.476 0.886 1.000 0.909 N 1.457 12 residues pruned to eliminate duplicates Z: 10 17.477 2.002 0.261 0.865 1.000 0.889 CB 1.691 10 residues pruned to eliminate duplicates Z: 14 11.410 1.650 0.391 0.672 0.923 0.692 CB 1.274 13 residues pruned to eliminate duplicates Z: 7 6.919 1.484 0.649 0.451 1.000 0.667 O 1.214 6 residues pruned to eliminate duplicates Z: 6 5.024 1.564 0.383 0.687 1.000 1.000 CB 0.875 6 residues pruned to eliminate duplicates 9 1.839 1.604 0.188 0.162 0.625 0.250 CB 0.825 ? Z: 9 5.823 1.515 0.362 0.520 0.875 0.625 CA 1.117 9 residues pruned to eliminate duplicates Z: 14 4.191 1.407 0.433 0.308 0.769 0.462 CB 0.928 14 residues pruned to eliminate duplicates Z: 10 6.531 1.579 0.421 0.635 0.889 0.444 N 0.962 10 residues pruned to eliminate duplicates Z: 10 7.601 1.566 0.295 0.687 1.000 0.556 CB 1.053 14 residues pruned to eliminate duplicates Z: 13 8.557 1.331 0.571 0.832 0.917 0.500 CB 0.968 10 residues pruned to eliminate duplicates Z: 11 7.451 1.544 0.376 0.894 1.000 0.800 CB 0.795 11 residues pruned to eliminate duplicates 6 1.304 1.509 0.431 0.384 0.800 0.600 CB 0.381 ? Z: 7 2.306 1.430 0.660 0.486 0.667 0.333 CB 0.603 7 residues pruned to eliminate duplicates Z: 11 2.356 1.422 0.460 0.230 0.500 0.200 CB 0.983 Z: 11 6.817 1.458 0.275 0.797 1.000 0.800 O 0.894 14 residues pruned to eliminate duplicates Z: 22 13.087 1.692 0.297 0.886 0.952 0.810 CB 0.986 22 residues pruned to eliminate duplicates Z: 14 6.140 1.695 0.158 0.697 0.846 0.692 CB 0.856 14 residues pruned to eliminate duplicates Z: 12 6.272 1.545 0.431 0.586 0.727 0.545 CB 1.083 12 residues pruned to eliminate duplicates Z: 19 13.883 1.799 0.461 0.806 0.944 0.722 CB 1.010 19 residues pruned to eliminate duplicates Z: 8 5.751 1.670 0.463 0.462 0.714 0.571 CB 1.295 8 residues pruned to eliminate duplicates Z: 25 9.955 1.611 0.627 0.617 0.833 0.583 CB 0.833 25 residues pruned to eliminate duplicates Z: 22 11.757 1.660 0.675 0.784 0.952 0.810 CB 0.755 22 residues pruned to eliminate duplicates Z: 28 12.949 1.643 0.394 0.701 0.889 0.556 CB 1.019 28 residues pruned to eliminate duplicates Z: 18 9.564 1.699 0.458 0.551 0.882 0.471 CB 1.010 18 residues pruned to eliminate duplicates Z: 10 9.316 1.846 0.469 0.879 0.889 0.778 CB 0.934 10 residues pruned to eliminate duplicates Z: 17 10.582 1.692 0.615 0.637 0.938 0.688 CB 0.909 17 residues pruned to eliminate duplicates Z: 13 12.299 1.781 0.803 0.763 0.917 0.750 CB 0.955 13 residues pruned to eliminate duplicates Z: 12 11.375 1.842 0.622 0.811 0.909 0.636 CB 0.963 12 residues pruned to eliminate duplicates Z: 13 11.560 1.756 0.630 0.853 1.000 0.667 CB 0.862 13 residues pruned to eliminate duplicates Z: 18 18.595 1.820 0.730 0.817 0.941 0.588 CB 1.156 18 residues pruned to eliminate duplicates Z: 17 16.459 1.847 0.637 0.856 1.000 0.688 CB 1.003 17 residues pruned to eliminate duplicates Z: 19 16.425 1.773 0.663 0.690 0.944 0.722 CB 1.169 19 residues pruned to eliminate duplicates Z: 17 18.269 1.840 0.866 0.826 0.938 0.625 CB 1.070 17 residues pruned to eliminate duplicates Z: 20 15.531 1.782 0.623 0.795 0.895 0.737 CB 1.063 20 residues pruned to eliminate duplicates Z: 17 15.684 1.852 0.591 0.851 0.938 0.750 CB 1.051 17 residues pruned to eliminate duplicates Z: 17 17.412 1.885 0.766 0.807 0.938 0.812 CB 1.067 17 residues pruned to eliminate duplicates Z: 17 16.160 1.867 0.761 0.776 0.938 0.562 CB 1.027 17 residues pruned to eliminate duplicates Z: 18 19.421 1.826 0.935 0.825 0.941 0.588 CB 1.069 17 residues pruned to eliminate duplicates Z: 6 6.043 1.858 0.182 0.407 1.000 0.200 CA 1.356 6 residues pruned to eliminate duplicates Z: 14 6.047 1.698 0.446 0.260 0.769 0.385 CB 1.168 14 residues pruned to eliminate duplicates Z: 22 10.140 1.780 0.261 0.385 0.857 0.476 CB 1.299 22 residues pruned to eliminate duplicates Z: 19 10.084 1.860 0.417 0.417 0.778 0.444 CB 1.264 19 residues pruned to eliminate duplicates Z: 23 7.153 1.716 0.108 0.337 0.818 0.500 CB 1.170 23 residues pruned to eliminate duplicates Z: 11 7.150 1.621 0.620 0.525 0.800 0.600 CB 1.050 11 residues pruned to eliminate duplicates Z: 29 10.414 1.732 0.434 0.324 0.786 0.286 CB 1.223 29 residues pruned to eliminate duplicates Z: 11 6.590 1.759 0.365 0.242 0.900 0.300 CB 1.299 11 residues pruned to eliminate duplicates Z: 20 10.242 1.775 0.449 0.453 0.789 0.421 CB 1.215 20 residues pruned to eliminate duplicates Z: 27 10.928 1.784 0.310 0.408 0.769 0.423 CB 1.314 27 residues pruned to eliminate duplicates Z: 31 9.333 1.684 0.330 0.227 0.833 0.400 CB 1.255 31 residues pruned to eliminate duplicates Z: 7 2.980 1.420 0.449 0.318 0.833 0.500 CB 0.868 Z: 11 18.769 1.814 0.748 0.895 1.000 0.900 CB 1.342 11 residues pruned to eliminate duplicates Z: 11 16.076 1.866 0.615 0.892 1.000 1.000 CB 1.212 11 residues pruned to eliminate duplicates Z: 18 11.771 1.699 0.483 0.672 1.000 0.706 CB 0.967 18 residues pruned to eliminate duplicates Z: 11 17.224 1.857 0.708 0.859 1.000 0.800 CB 1.264 11 residues pruned to eliminate duplicates Z: 11 16.012 1.865 0.475 0.901 1.000 0.700 CB 1.314 11 residues pruned to eliminate duplicates Z: 13 13.641 1.899 0.649 0.735 0.917 0.750 CB 1.111 13 residues pruned to eliminate duplicates Z: 12 11.311 1.867 0.351 0.768 0.909 0.636 CB 1.173 12 residues pruned to eliminate duplicates Z: 14 11.141 1.785 0.529 0.680 0.769 0.462 CB 1.248 14 residues pruned to eliminate duplicates Z: 14 10.456 1.757 0.484 0.640 0.769 0.538 CB 1.268 14 residues pruned to eliminate duplicates Z: 14 8.945 1.701 0.546 0.656 0.846 0.308 CB 0.964 14 residues pruned to eliminate duplicates Z: 18 5.251 1.626 0.161 0.296 0.824 0.412 CB 1.029 29 residues pruned to eliminate duplicates Z: 15 8.378 1.651 0.250 0.777 0.857 0.571 CB 0.991 15 residues pruned to eliminate duplicates Z: 8 4.201 1.348 0.504 0.779 0.857 0.857 N 0.715 7 residues pruned to eliminate duplicates Z: 8 9.264 1.529 0.536 0.841 1.000 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 7 2.991 1.334 0.692 0.692 0.667 0.500 N 0.681 7 residues pruned to eliminate duplicates Z: 6 2.930 1.294 0.851 0.685 0.800 0.600 N 0.577 6 residues pruned to eliminate duplicates Z: 15 15.001 1.640 0.645 0.816 1.000 0.714 CB 1.129 16 residues pruned to eliminate duplicates Z: 20 14.752 1.635 0.467 0.833 0.947 0.632 CB 1.118 20 residues pruned to eliminate duplicates Z: 13 12.535 1.678 0.859 0.781 0.833 0.583 N 1.087 13 residues pruned to eliminate duplicates Z: 12 14.456 1.725 0.862 0.799 0.909 0.364 CB 1.149 12 residues pruned to eliminate duplicates Z: 12 15.865 1.711 0.918 0.771 1.000 0.909 N 1.147 12 residues pruned to eliminate duplicates Z: 11 17.164 1.811 0.855 0.776 1.000 0.500 N 1.266 11 residues pruned to eliminate duplicates Z: 15 17.127 1.623 0.907 0.842 1.000 0.500 CB 1.102 15 residues pruned to eliminate duplicates Z: 12 16.034 1.712 0.974 0.885 0.909 0.091 CB 1.136 12 residues pruned to eliminate duplicates Z: 16 12.503 1.676 0.675 0.868 0.867 0.267 CB 0.970 16 residues pruned to eliminate duplicates Z: 15 13.986 1.722 0.799 0.857 0.857 0.500 CB 1.038 15 residues pruned to eliminate duplicates Z: 9 8.084 1.678 0.643 0.781 0.875 0.625 CB 0.925 9 residues pruned to eliminate duplicates Z: 15 18.409 1.728 1.028 0.865 0.929 0.786 CB 1.107 15 residues pruned to eliminate duplicates Z: 19 16.351 1.631 0.934 0.838 0.833 0.667 N 1.096 19 residues pruned to eliminate duplicates Z: 18 19.301 1.698 0.783 0.867 0.941 0.824 CB 1.202 18 residues pruned to eliminate duplicates Z: 9 10.205 1.580 0.682 0.871 1.000 1.000 CB 0.990 8 residues pruned to eliminate duplicates Z: 17 19.413 1.776 0.489 0.834 1.000 0.875 CB 1.375 17 residues pruned to eliminate duplicates Z: 19 15.216 1.730 0.475 0.713 0.889 0.667 CB 1.303 19 residues pruned to eliminate duplicates Z: 18 16.947 1.734 0.482 0.745 0.882 0.647 CB 1.455 17 residues pruned to eliminate duplicates Z: 15 17.982 1.821 0.434 0.900 1.000 0.929 CB 1.315 15 residues pruned to eliminate duplicates Z: 15 22.101 1.858 0.668 0.872 1.000 0.857 CB 1.390 15 residues pruned to eliminate duplicates Z: 16 17.708 1.806 0.575 0.815 0.933 0.667 CB 1.309 16 residues pruned to eliminate duplicates Z: 17 18.344 1.709 0.740 0.781 0.875 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 17 18.698 1.754 0.678 0.762 0.938 0.812 N 1.342 16 residues pruned to eliminate duplicates Z: 14 19.580 1.753 0.565 0.826 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 18 16.809 1.786 0.486 0.767 0.882 0.765 N 1.374 18 residues pruned to eliminate duplicates Z: 15 18.271 1.838 0.365 0.898 1.000 0.929 CB 1.392 15 residues pruned to eliminate duplicates Z: 17 18.929 1.782 0.577 0.788 0.938 0.875 CB 1.394 18 residues pruned to eliminate duplicates Z: 15 18.293 1.804 0.484 0.889 1.000 0.857 CB 1.315 15 residues pruned to eliminate duplicates Z: 17 14.615 1.812 0.466 0.775 0.875 0.688 CB 1.234 17 residues pruned to eliminate duplicates Z: 19 14.163 1.742 0.454 0.716 0.889 0.833 CB 1.220 19 residues pruned to eliminate duplicates Z: 22 13.470 1.736 0.600 0.571 0.810 0.619 CB 1.220 22 residues pruned to eliminate duplicates Z: 16 8.446 1.595 0.310 0.529 0.867 0.600 N 1.171 16 residues pruned to eliminate duplicates Z: 14 8.197 1.705 0.332 0.563 0.846 0.462 CB 1.113 14 residues pruned to eliminate duplicates Z: 16 6.623 1.586 0.453 0.451 0.800 0.600 CB 0.975 16 residues pruned to eliminate duplicates Z: 19 14.161 1.714 0.481 0.653 0.889 0.556 CB 1.283 19 residues pruned to eliminate duplicates Z: 14 8.877 1.712 0.409 0.554 0.846 0.538 CB 1.144 14 residues pruned to eliminate duplicates Z: 11 10.636 1.771 0.517 0.723 0.800 0.400 CB 1.279 11 residues pruned to eliminate duplicates Z: 11 11.466 1.744 0.439 0.763 0.900 0.700 CB 1.271 11 residues pruned to eliminate duplicates Z: 32 14.788 1.687 0.559 0.602 0.806 0.548 CB 1.137 34 residues pruned to eliminate duplicates Z: 23 19.345 1.751 0.581 0.884 1.000 0.636 CB 1.077 23 residues pruned to eliminate duplicates Z: 23 17.507 1.788 0.404 0.869 1.000 0.818 CB 1.086 23 residues pruned to eliminate duplicates Z: 21 15.172 1.786 0.549 0.856 0.950 0.750 CB 0.952 21 residues pruned to eliminate duplicates Z: 18 13.310 1.657 0.777 0.611 0.941 0.529 CB 1.049 18 residues pruned to eliminate duplicates Z: 22 22.047 1.813 0.740 0.859 0.952 0.857 CB 1.178 22 residues pruned to eliminate duplicates Z: 13 14.061 1.834 0.733 0.866 0.917 0.917 CB 1.020 13 residues pruned to eliminate duplicates Z: 22 20.555 1.780 0.691 0.883 0.952 0.810 CB 1.131 22 residues pruned to eliminate duplicates Z: 25 22.616 1.757 0.842 0.820 0.958 0.625 CB 1.127 25 residues pruned to eliminate duplicates Z: 22 18.656 1.765 0.902 0.879 0.810 0.714 CB 1.087 22 residues pruned to eliminate duplicates Z: 24 21.295 1.767 0.763 0.848 0.957 0.783 CB 1.105 23 residues pruned to eliminate duplicates Z: 22 17.744 1.725 0.911 0.884 0.857 0.714 CB 0.990 22 residues pruned to eliminate duplicates Z: 27 20.512 1.718 0.773 0.715 0.962 0.731 CB 1.130 27 residues pruned to eliminate duplicates Z: 23 19.689 1.799 0.802 0.856 0.909 0.636 CB 1.051 23 residues pruned to eliminate duplicates Z: 7 6.783 1.415 0.750 0.667 1.000 0.500 N 0.958 6 residues pruned to eliminate duplicates Z: 11 11.058 1.587 0.413 0.870 1.000 0.900 CB 1.138 10 residues pruned to eliminate duplicates Z: 10 12.682 1.616 0.531 0.820 1.000 0.556 CB 1.296 11 residues pruned to eliminate duplicates Z: 12 10.469 1.555 0.318 0.814 1.000 0.909 CB 1.173 12 residues pruned to eliminate duplicates Z: 7 8.736 1.601 0.533 0.809 1.000 0.833 CB 1.111 7 residues pruned to eliminate duplicates Z: 11 4.506 1.382 0.866 0.232 0.800 0.300 CB 0.944 Z: 10 11.442 1.628 0.647 0.805 1.000 0.444 CB 1.091 21 residues pruned to eliminate duplicates Z: 9 8.735 1.601 0.584 0.816 0.875 0.750 CB 1.057 9 residues pruned to eliminate duplicates Z: 11 4.191 1.218 0.530 0.451 1.000 0.400 N 0.748 Z: 15 8.936 1.351 0.492 0.836 1.000 0.571 N 0.887 14 residues pruned to eliminate duplicates Z: 14 7.154 1.375 0.493 0.801 0.769 0.615 N 0.966 14 residues pruned to eliminate duplicates Z: 16 8.534 1.333 0.560 0.728 0.867 0.467 N 0.996 16 residues pruned to eliminate duplicates Z: 8 7.909 1.383 0.752 0.774 0.857 0.429 O 1.130 8 residues pruned to eliminate duplicates Z: 9 8.681 1.387 0.723 0.733 0.875 0.625 N 1.191 9 residues pruned to eliminate duplicates Z: 13 6.537 1.423 0.163 0.635 0.917 0.417 N 1.095 13 residues pruned to eliminate duplicates Z: 7 5.101 1.520 0.493 0.646 0.667 0.500 N 1.201 7 residues pruned to eliminate duplicates Z: 11 4.824 1.218 0.606 0.627 0.900 0.600 N 0.769 11 residues pruned to eliminate duplicates Z: 16 6.927 1.295 0.476 0.597 1.000 0.733 CB 0.853 16 residues pruned to eliminate duplicates Z: 10 6.923 1.318 0.722 0.779 0.889 0.667 N 0.894 10 residues pruned to eliminate duplicates Z: 11 8.393 1.633 0.486 0.573 0.900 0.500 N 1.132 20 residues pruned to eliminate duplicates Z: 10 10.642 1.679 0.487 0.827 0.889 0.667 CA 1.205 10 residues pruned to eliminate duplicates Z: 10 9.461 1.582 0.579 0.808 0.889 0.556 N 1.086 11 residues pruned to eliminate duplicates Z: 10 9.534 1.558 0.582 0.800 1.000 0.556 N 0.992 10 residues pruned to eliminate duplicates Z: 11 10.755 1.654 0.358 0.747 1.000 0.600 CB 1.214 10 residues pruned to eliminate duplicates Z: 9 10.301 1.634 0.395 0.870 1.000 0.875 CA 1.166 9 residues pruned to eliminate duplicates Z: 11 9.962 1.683 0.299 0.760 1.000 0.900 CB 1.143 11 residues pruned to eliminate duplicates Z: 8 2.076 1.307 0.296 0.480 0.857 0.714 CB 0.552 Z: 9 3.902 1.149 0.392 0.747 1.000 0.500 CB 0.692 6 residues pruned to eliminate duplicates Z: 8 2.161 1.138 0.532 0.781 0.857 0.714 CB 0.426 8 residues pruned to eliminate duplicates Z: 21 7.432 1.723 0.463 0.511 0.700 0.450 CB 0.932 23 residues pruned to eliminate duplicates Z: 7 8.994 1.724 0.928 0.771 1.000 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 18 9.418 1.737 0.351 0.565 0.941 0.529 CB 0.971 18 residues pruned to eliminate duplicates Z: 14 7.381 1.674 0.321 0.527 0.923 0.615 CB 0.977 14 residues pruned to eliminate duplicates Z: 12 5.576 1.718 0.286 0.546 0.909 0.636 CB 0.801 12 residues pruned to eliminate duplicates Z: 24 14.260 1.761 0.597 0.613 0.913 0.652 CB 1.040 24 residues pruned to eliminate duplicates Z: 20 8.632 1.656 0.337 0.535 0.895 0.579 CB 0.966 20 residues pruned to eliminate duplicates Z: 18 9.078 1.714 0.443 0.573 0.941 0.647 CB 0.882 18 residues pruned to eliminate duplicates Z: 19 9.335 1.676 0.556 0.520 0.833 0.500 CB 0.993 19 residues pruned to eliminate duplicates Z: 12 8.175 1.712 0.687 0.527 0.909 0.364 CB 0.914 12 residues pruned to eliminate duplicates Z: 22 10.041 1.657 0.473 0.474 0.905 0.571 CB 1.018 22 residues pruned to eliminate duplicates Z: 14 3.353 1.584 0.138 0.254 0.692 0.462 CB 0.988 14 residues pruned to eliminate duplicates Z: 16 6.356 1.745 0.299 0.485 0.800 0.667 CB 0.919 16 residues pruned to eliminate duplicates Z: 18 9.229 1.764 0.549 0.426 0.765 0.529 CB 1.157 18 residues pruned to eliminate duplicates Z: 13 5.840 1.647 0.358 0.517 0.917 0.667 CB 0.809 13 residues pruned to eliminate duplicates Z: 10 16.696 1.863 0.586 0.879 1.000 0.667 CB 1.365 10 residues pruned to eliminate duplicates Z: 19 6.363 1.617 0.731 0.451 0.778 0.611 CB 0.724 19 residues pruned to eliminate duplicates Z: 14 8.988 1.767 0.643 0.616 0.769 0.462 CB 1.000 14 residues pruned to eliminate duplicates Z: 24 11.621 1.685 0.489 0.492 0.870 0.565 CB 1.119 24 residues pruned to eliminate duplicates Z: 18 11.388 1.707 0.624 0.550 0.882 0.824 CB 1.075 18 residues pruned to eliminate duplicates Z: 25 10.732 1.694 0.593 0.491 0.833 0.458 CB 0.983 25 residues pruned to eliminate duplicates Z: 19 15.135 1.707 0.663 0.635 0.944 0.667 CB 1.172 18 residues pruned to eliminate duplicates Z: 13 15.929 1.672 0.685 0.801 1.000 0.583 CA 1.254 13 residues pruned to eliminate duplicates Z: 13 12.041 1.764 0.462 0.732 0.833 0.583 CB 1.313 13 residues pruned to eliminate duplicates Z: 16 11.823 1.685 0.600 0.691 0.867 0.800 CB 1.097 16 residues pruned to eliminate duplicates Z: 21 12.326 1.681 0.428 0.558 0.900 0.650 CB 1.207 21 residues pruned to eliminate duplicates Z: 13 5.078 1.499 0.506 0.324 0.667 0.333 CB 1.182 13 residues pruned to eliminate duplicates Z: 9 3.295 1.529 0.081 0.314 0.875 0.500 CB 0.990 9 residues pruned to eliminate duplicates Z: 6 3.283 1.324 0.243 0.472 0.800 0.600 N 1.148 6 residues pruned to eliminate duplicates Z: 8 2.995 1.415 0.228 0.331 0.714 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 9 4.302 1.603 0.391 0.377 0.750 0.375 CB 1.038 3 residues pruned to eliminate duplicates Z: 6 8.548 1.621 0.619 0.665 1.000 0.600 CA 1.250 6 residues pruned to eliminate duplicates Z: 10 10.713 1.601 0.559 0.706 1.000 0.667 CB 1.186 6 residues pruned to eliminate duplicates Z: 7 8.998 1.506 0.812 0.876 1.000 0.333 CB 0.978 22 residues pruned to eliminate duplicates Z: 16 12.741 1.708 0.521 0.586 1.000 0.600 CB 1.166 10 residues pruned to eliminate duplicates Z: 7 7.315 1.739 0.501 0.863 0.833 0.833 CB 1.007 7 residues pruned to eliminate duplicates Z: 21 10.747 1.604 0.595 0.547 0.850 0.550 CB 1.055 18 residues pruned to eliminate duplicates Z: 9 8.776 1.705 0.283 0.900 1.000 0.750 CB 1.013 9 residues pruned to eliminate duplicates Z: 11 8.668 1.764 0.401 0.458 1.000 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 15 6.021 1.563 0.374 0.558 0.786 0.571 CB 0.901 15 residues pruned to eliminate duplicates Z: 11 7.443 1.708 0.505 0.497 0.800 0.300 CB 1.148 11 residues pruned to eliminate duplicates Z: 10 7.193 1.856 0.504 0.437 0.778 0.667 CB 1.179 13 residues pruned to eliminate duplicates Z: 7 4.275 1.669 -0.170 0.798 0.833 0.667 N 1.165 7 residues pruned to eliminate duplicates Z: 10 7.093 1.712 0.156 0.560 1.000 0.444 N 1.127 10 residues pruned to eliminate duplicates Z: 10 5.408 1.726 0.242 0.566 0.667 0.667 N 1.184 10 residues pruned to eliminate duplicates Z: 8 4.435 1.632 0.135 0.474 0.857 0.571 CB 1.084 8 residues pruned to eliminate duplicates Z: 16 11.414 1.739 0.497 0.577 0.867 0.600 CB 1.213 16 residues pruned to eliminate duplicates Z: 12 11.058 1.744 0.433 0.638 0.818 0.818 CB 1.433 12 residues pruned to eliminate duplicates Z: 17 11.876 1.700 0.587 0.660 0.750 0.562 CB 1.265 17 residues pruned to eliminate duplicates Z: 13 14.213 1.804 0.485 0.694 0.917 0.500 CB 1.399 13 residues pruned to eliminate duplicates Z: 19 10.436 1.623 0.558 0.615 0.722 0.389 CB 1.207 13 residues pruned to eliminate duplicates Z: 11 19.856 1.863 0.676 0.869 1.000 0.800 CB 1.470 11 residues pruned to eliminate duplicates Z: 17 14.158 1.666 0.581 0.676 0.938 0.438 N 1.218 17 residues pruned to eliminate duplicates Z: 15 14.646 1.736 0.453 0.755 1.000 0.714 N 1.236 15 residues pruned to eliminate duplicates Z: 17 13.838 1.796 0.300 0.710 0.938 0.625 CB 1.306 23 residues pruned to eliminate duplicates Z: 17 15.148 1.777 0.439 0.730 1.000 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 13 17.140 1.847 0.416 0.894 1.000 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 15 11.210 1.714 0.678 0.522 0.786 0.571 CB 1.297 15 residues pruned to eliminate duplicates Z: 15 14.840 1.886 0.338 0.735 0.929 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 17 16.381 1.762 0.518 0.743 0.938 0.625 CB 1.314 17 residues pruned to eliminate duplicates Z: 16 14.387 1.769 0.414 0.778 0.933 0.867 CB 1.245 16 residues pruned to eliminate duplicates Z: 15 14.866 1.878 0.546 0.713 0.929 0.643 CB 1.215 15 residues pruned to eliminate duplicates Z: 17 13.075 1.841 0.570 0.675 0.875 0.688 CB 1.100 17 residues pruned to eliminate duplicates Z: 15 15.651 1.855 0.416 0.686 1.000 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 14 18.957 1.847 0.412 0.919 1.000 0.769 CB 1.421 14 residues pruned to eliminate duplicates Z: 17 14.622 1.840 0.377 0.740 0.875 0.875 CB 1.329 17 residues pruned to eliminate duplicates Z: 20 15.013 1.771 0.502 0.716 1.000 0.895 CB 1.064 20 residues pruned to eliminate duplicates Z: 27 16.539 1.811 0.346 0.686 0.962 0.654 CB 1.166 27 residues pruned to eliminate duplicates Z: 12 6.576 1.512 0.007 0.782 1.000 0.636 CB 1.015 12 residues pruned to eliminate duplicates 6 1.566 1.443 0.096 0.213 0.600 0.200 N 1.035 ? Z: 13 6.912 1.516 0.213 0.699 0.917 0.583 CB 0.987 12 residues pruned to eliminate duplicates Z: 10 6.838 1.500 0.097 0.855 1.000 0.667 CB 1.022 10 residues pruned to eliminate duplicates Z: 13 5.934 1.521 0.149 0.683 0.833 0.417 CB 0.995 13 residues pruned to eliminate duplicates Z: 12 5.814 1.569 0.090 0.588 0.818 0.636 N 1.152 11 residues pruned to eliminate duplicates Z: 11 7.484 1.552 0.238 0.825 1.000 0.700 CB 0.929 15 residues pruned to eliminate duplicates Z: 10 8.029 1.499 0.256 0.913 1.000 0.889 CB 1.006 10 residues pruned to eliminate duplicates Z: 10 8.305 1.526 0.282 0.892 1.000 1.000 CB 1.017 10 residues pruned to eliminate duplicates Z: 10 9.160 1.534 0.336 0.899 1.000 0.667 CB 1.065 9 residues pruned to eliminate duplicates Z: 11 7.981 1.478 0.359 0.888 0.900 0.700 CB 1.006 11 residues pruned to eliminate duplicates Z: 14 8.424 1.533 0.245 0.748 0.923 0.769 CB 1.063 11 residues pruned to eliminate duplicates Z: 6 9.708 1.706 0.546 0.650 1.000 0.800 N 1.432 Z: 6 6.003 1.612 0.365 0.842 0.800 0.800 O 1.137 5 residues pruned to eliminate duplicates Z: 15 14.503 1.588 0.626 0.869 1.000 0.714 CB 1.097 37 residues pruned to eliminate duplicates Z: 10 10.071 1.654 0.819 0.785 0.889 0.556 CB 0.977 10 residues pruned to eliminate duplicates Z: 14 11.038 1.704 0.721 0.613 0.769 0.462 N 1.219 14 residues pruned to eliminate duplicates Z: 21 13.914 1.757 0.451 0.630 1.000 0.500 CB 1.080 21 residues pruned to eliminate duplicates Z: 19 10.107 1.631 0.688 0.685 0.889 0.556 CB 0.822 19 residues pruned to eliminate duplicates Z: 12 7.074 1.629 0.514 0.649 1.000 0.636 CB 0.752 12 residues pruned to eliminate duplicates Z: 7 5.271 1.846 0.143 0.773 1.000 0.667 CB 0.801 7 residues pruned to eliminate duplicates Z: 13 7.443 1.534 0.705 0.561 0.917 0.583 CB 0.844 13 residues pruned to eliminate duplicates Z: 9 7.262 1.677 0.878 0.643 1.000 0.750 CB 0.714 9 residues pruned to eliminate duplicates Z: 15 11.255 1.831 0.682 0.576 0.929 0.500 CB 0.978 15 residues pruned to eliminate duplicates Z: 15 11.817 1.821 0.989 0.528 0.786 0.643 CB 1.080 15 residues pruned to eliminate duplicates Z: 12 8.186 1.671 0.979 0.449 1.000 0.545 CB 0.786 12 residues pruned to eliminate duplicates Z: 9 9.823 1.804 1.189 0.532 0.875 0.500 CB 0.974 9 residues pruned to eliminate duplicates Z: 19 11.465 1.749 0.864 0.435 0.889 0.389 CB 0.998 19 residues pruned to eliminate duplicates Z: 11 10.031 1.790 0.678 0.539 1.000 0.300 CB 1.017 11 residues pruned to eliminate duplicates Z: 15 7.933 1.695 0.789 0.370 0.857 0.429 CB 0.937 15 residues pruned to eliminate duplicates Z: 17 13.135 1.800 1.083 0.554 0.812 0.688 CB 1.022 17 residues pruned to eliminate duplicates Z: 16 10.616 1.743 0.974 0.497 0.800 0.467 CB 0.999 16 residues pruned to eliminate duplicates Z: 12 12.125 1.802 0.888 0.439 1.000 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 6 4.312 1.524 1.244 0.338 0.600 0.600 CB 1.122 6 residues pruned to eliminate duplicates Z: 23 10.316 1.734 0.510 0.386 0.864 0.364 CB 1.098 15 residues pruned to eliminate duplicates Z: 7 6.689 1.481 0.919 0.825 0.667 0.500 N 1.088 7 residues pruned to eliminate duplicates Z: 8 9.882 1.527 0.691 0.891 1.000 0.714 N 1.040 8 residues pruned to eliminate duplicates Z: 9 10.559 1.445 0.769 0.897 1.000 0.375 N 1.045 8 residues pruned to eliminate duplicates Z: 7 5.972 1.454 1.019 0.827 0.833 0.500 CB 0.751 7 residues pruned to eliminate duplicates Z: 16 6.416 1.797 0.253 0.392 0.667 0.533 CB 1.238 14 residues pruned to eliminate duplicates Z: 14 15.974 1.617 0.907 0.747 1.000 0.692 N 1.152 19 residues pruned to eliminate duplicates Z: 9 17.126 2.031 0.800 0.778 1.000 0.750 CB 1.297 11 residues pruned to eliminate duplicates Z: 12 14.164 1.877 0.854 0.845 0.909 0.545 CB 1.004 12 residues pruned to eliminate duplicates Z: 19 12.933 1.988 0.533 0.489 0.833 0.611 CB 1.213 16 residues pruned to eliminate duplicates Z: 14 11.810 1.776 0.389 0.892 1.000 0.692 CB 0.954 14 residues pruned to eliminate duplicates Z: 22 13.943 1.896 0.829 0.459 0.810 0.476 CB 1.130 22 residues pruned to eliminate duplicates Z: 19 16.162 1.979 0.671 0.577 0.889 0.556 CB 1.203 19 residues pruned to eliminate duplicates Z: 21 14.782 1.919 0.494 0.502 0.900 0.500 CB 1.279 21 residues pruned to eliminate duplicates Z: 18 17.170 2.026 0.893 0.515 0.824 0.706 CB 1.300 18 residues pruned to eliminate duplicates Z: 13 12.050 1.661 0.888 0.728 0.833 0.667 CB 1.084 13 residues pruned to eliminate duplicates Z: 17 14.706 2.027 0.717 0.557 0.812 0.500 CB 1.230 17 residues pruned to eliminate duplicates Z: 19 12.938 1.936 0.538 0.498 0.778 0.500 CB 1.319 19 residues pruned to eliminate duplicates Z: 7 3.599 1.887 0.636 0.325 0.667 0.500 CB 0.865 10 residues pruned to eliminate duplicates Z: 15 9.404 1.681 0.423 0.779 1.000 0.786 CB 0.821 15 residues pruned to eliminate duplicates Z: 26 12.748 1.771 0.367 0.558 0.920 0.640 CB 1.082 26 residues pruned to eliminate duplicates Z: 10 10.396 1.707 0.803 0.741 1.000 0.889 CB 0.907 10 residues pruned to eliminate duplicates Z: 13 16.540 1.688 0.530 0.878 1.000 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 24 17.696 1.764 0.655 0.596 0.957 0.826 CB 1.205 24 residues pruned to eliminate duplicates Z: 15 8.063 1.524 0.298 0.621 0.929 0.643 CB 1.046 15 residues pruned to eliminate duplicates Z: 26 15.122 1.786 0.448 0.578 0.960 0.720 CB 1.130 26 residues pruned to eliminate duplicates Z: 22 17.034 1.790 0.475 0.626 1.000 0.667 CB 1.251 22 residues pruned to eliminate duplicates Z: 23 16.175 1.748 0.495 0.640 0.955 0.773 CB 1.213 22 residues pruned to eliminate duplicates Z: 13 12.910 1.711 0.463 0.852 0.917 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 16 12.468 1.692 0.473 0.597 0.867 0.800 CA 1.359 16 residues pruned to eliminate duplicates Z: 20 22.062 1.835 0.613 0.718 1.000 0.842 CB 1.405 36 residues pruned to eliminate duplicates Z: 13 14.331 1.723 0.555 0.722 0.917 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 26 16.490 1.757 0.532 0.604 0.920 0.720 CB 1.207 26 residues pruned to eliminate duplicates Z: 24 14.042 1.762 0.546 0.601 0.913 0.652 CB 1.069 24 residues pruned to eliminate duplicates Z: 24 14.732 1.741 0.643 0.545 0.957 0.609 CB 1.074 18 residues pruned to eliminate duplicates Z: 6 3.658 1.628 0.532 0.283 0.800 0.600 CA 1.047 6 residues pruned to eliminate duplicates Z: 22 14.302 1.709 0.670 0.605 0.857 0.667 CB 1.154 22 residues pruned to eliminate duplicates Z: 28 14.765 1.766 0.510 0.512 0.889 0.556 CB 1.185 28 residues pruned to eliminate duplicates Z: 29 12.730 1.776 0.375 0.533 0.929 0.714 CB 1.027 29 residues pruned to eliminate duplicates Z: 32 15.008 1.788 0.427 0.492 0.935 0.806 CB 1.138 32 residues pruned to eliminate duplicates Z: 33 14.288 1.804 0.432 0.477 0.906 0.594 CB 1.105 33 residues pruned to eliminate duplicates Z: 18 9.044 1.843 0.551 0.254 0.882 0.471 CB 1.153 12 residues pruned to eliminate duplicates Z: 6 2.583 1.617 0.347 0.231 0.600 0.400 CB 1.210 6 residues pruned to eliminate duplicates Z: 12 4.225 1.800 0.353 0.165 0.636 0.182 CB 1.237 12 residues pruned to eliminate duplicates Z: 10 4.172 1.823 0.511 0.159 0.667 0.333 CB 1.148 10 residues pruned to eliminate duplicates Z: 16 5.282 1.712 0.543 0.149 0.733 0.267 CB 1.085 16 residues pruned to eliminate duplicates Z: 11 5.306 1.787 0.694 0.155 0.800 0.400 CB 1.057 11 residues pruned to eliminate duplicates Z: 16 5.301 1.688 0.580 0.267 0.800 0.333 CB 0.837 12 residues pruned to eliminate duplicates Z: 8 4.705 1.588 0.394 0.435 0.857 0.286 CB 1.003 8 residues pruned to eliminate duplicates Z: 22 5.169 1.725 0.317 0.129 0.857 0.476 CB 0.920 22 residues pruned to eliminate duplicates Z: 13 5.594 1.631 0.708 0.201 0.833 0.250 CB 0.993 13 residues pruned to eliminate duplicates Z: 17 5.858 1.725 0.321 0.279 0.875 0.438 CB 0.943 17 residues pruned to eliminate duplicates Z: 7 3.003 1.667 0.156 0.388 0.833 0.500 CB 0.860 Z: 16 11.630 1.624 0.366 0.806 1.000 0.867 CB 1.037 23 residues pruned to eliminate duplicates Z: 9 5.771 1.567 0.649 0.724 0.875 0.375 CB 0.737 6 residues pruned to eliminate duplicates Z: 13 11.464 1.787 0.314 0.885 1.000 0.583 CB 1.018 13 residues pruned to eliminate duplicates Z: 22 8.592 1.657 0.429 0.510 0.810 0.333 CB 0.968 20 residues pruned to eliminate duplicates Z: 10 12.326 1.840 0.460 0.834 0.889 0.778 CB 1.290 10 residues pruned to eliminate duplicates Z: 19 9.848 1.656 0.506 0.483 0.722 0.444 CB 1.310 19 residues pruned to eliminate duplicates Z: 35 18.791 1.761 0.480 0.710 0.912 0.765 CB 1.121 35 residues pruned to eliminate duplicates Z: 10 11.233 1.717 0.774 0.617 1.000 0.889 CB 1.101 10 residues pruned to eliminate duplicates Z: 35 17.355 1.713 0.510 0.685 0.941 0.794 CB 1.032 35 residues pruned to eliminate duplicates Z: 15 13.032 1.784 0.551 0.722 1.000 0.786 CB 1.030 13 residues pruned to eliminate duplicates Z: 15 11.728 1.750 0.453 0.857 1.000 0.643 CB 0.908 15 residues pruned to eliminate duplicates Z: 20 13.114 1.735 0.595 0.619 0.842 0.684 CB 1.154 19 residues pruned to eliminate duplicates Z: 14 13.266 1.698 0.653 0.740 1.000 0.769 CB 1.057 15 residues pruned to eliminate duplicates Z: 13 13.875 1.855 0.553 0.817 0.917 0.750 CB 1.152 13 residues pruned to eliminate duplicates Z: 7 6.840 1.681 0.392 0.720 0.833 0.500 CB 1.174 7 residues pruned to eliminate duplicates Z: 12 9.953 1.544 0.460 0.663 0.909 0.636 CB 1.260 12 residues pruned to eliminate duplicates Z: 12 7.844 1.544 0.536 0.543 0.818 0.455 CB 1.169 12 residues pruned to eliminate duplicates Z: 11 9.288 1.619 0.335 0.791 0.900 0.300 CB 1.170 11 residues pruned to eliminate duplicates Z: 14 12.140 1.631 0.611 0.825 0.923 0.615 CB 1.048 15 residues pruned to eliminate duplicates Z: 13 12.485 1.621 0.497 0.919 1.000 0.833 CB 1.047 13 residues pruned to eliminate duplicates Z: 16 10.367 1.566 0.512 0.658 0.933 0.600 CB 1.046 16 residues pruned to eliminate duplicates Z: 11 9.743 1.610 0.790 0.778 0.800 0.600 CB 1.045 11 residues pruned to eliminate duplicates Z: 17 9.443 1.580 0.458 0.659 0.938 0.562 CB 0.943 17 residues pruned to eliminate duplicates Z: 13 11.204 1.629 0.528 0.827 1.000 0.667 CB 0.980 13 residues pruned to eliminate duplicates Z: 10 10.755 1.623 0.694 0.852 0.889 0.667 CB 1.084 10 residues pruned to eliminate duplicates Z: 18 10.777 1.542 0.488 0.787 0.941 0.706 CB 0.941 15 residues pruned to eliminate duplicates Z: 13 11.766 1.623 0.557 0.900 1.000 0.583 CB 0.960 13 residues pruned to eliminate duplicates Z: 15 4.381 1.435 0.640 0.193 0.714 0.286 N 1.005 Z: 6 5.289 1.636 0.514 0.430 1.000 0.400 CB 1.027 6 residues pruned to eliminate duplicates Z: 11 13.815 1.922 0.628 0.592 0.900 0.400 CB 1.421 11 residues pruned to eliminate duplicates Z: 22 16.945 1.924 0.621 0.552 0.952 0.667 CB 1.184 22 residues pruned to eliminate duplicates Z: 23 18.138 1.866 0.606 0.579 0.909 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 21 18.344 1.927 0.577 0.590 0.950 0.650 CB 1.303 21 residues pruned to eliminate duplicates Z: 23 16.628 1.903 0.428 0.497 1.000 0.500 CB 1.308 23 residues pruned to eliminate duplicates Z: 23 17.127 1.904 0.472 0.529 0.909 0.682 CB 1.392 23 residues pruned to eliminate duplicates Z: 23 18.059 1.922 0.564 0.536 0.955 0.591 CB 1.296 22 residues pruned to eliminate duplicates Z: 11 18.577 1.922 0.709 0.857 1.000 0.500 N 1.317 11 residues pruned to eliminate duplicates Z: 27 14.636 1.850 0.615 0.418 0.846 0.500 CB 1.236 27 residues pruned to eliminate duplicates Z: 27 18.838 1.837 0.719 0.484 0.923 0.654 CB 1.288 36 residues pruned to eliminate duplicates Z: 12 22.187 1.959 0.843 0.730 1.000 0.636 CB 1.506 12 residues pruned to eliminate duplicates Z: 27 14.119 1.846 0.471 0.411 0.885 0.538 CB 1.265 27 residues pruned to eliminate duplicates Z: 20 16.758 1.949 0.467 0.577 0.947 0.684 CB 1.318 20 residues pruned to eliminate duplicates Z: 23 19.078 1.931 0.564 0.548 0.955 0.682 CB 1.347 23 residues pruned to eliminate duplicates Z: 23 18.957 1.921 0.656 0.605 0.909 0.682 CB 1.265 23 residues pruned to eliminate duplicates Z: 9 6.846 1.644 0.569 0.444 0.875 0.500 CB 1.136 9 residues pruned to eliminate duplicates Z: 15 13.467 1.681 0.309 0.837 1.000 0.857 CB 1.223 15 residues pruned to eliminate duplicates Z: 13 19.009 1.840 0.465 0.833 1.000 0.833 CB 1.528 13 residues pruned to eliminate duplicates Z: 13 16.130 1.764 0.388 0.837 1.000 0.583 CB 1.423 13 residues pruned to eliminate duplicates Z: 10 12.773 1.813 0.376 0.864 0.889 0.667 CB 1.408 10 residues pruned to eliminate duplicates Z: 13 11.312 1.778 0.289 0.683 0.833 0.500 CB 1.446 13 residues pruned to eliminate duplicates Z: 40 14.172 1.638 0.467 0.465 0.872 0.513 CB 1.122 41 residues pruned to eliminate duplicates Z: 12 17.233 1.832 0.475 0.855 1.000 0.909 CB 1.419 Z: 12 16.684 1.757 0.579 0.864 1.000 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 10 13.117 1.813 0.534 0.839 1.000 0.667 CB 1.174 10 residues pruned to eliminate duplicates Z: 15 10.271 1.649 0.359 0.620 0.929 0.714 CB 1.177 15 residues pruned to eliminate duplicates Z: 16 8.684 1.673 0.541 0.476 0.667 0.533 CB 1.336 16 residues pruned to eliminate duplicates Z: 25 15.279 1.632 0.641 0.570 0.875 0.750 CB 1.245 26 residues pruned to eliminate duplicates Z: 10 10.627 1.711 0.451 0.746 0.889 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 21 14.408 1.687 0.417 0.655 0.900 0.700 CB 1.296 21 residues pruned to eliminate duplicates Z: 7 5.200 1.633 0.464 0.411 1.000 0.500 N 0.975 7 residues pruned to eliminate duplicates Z: 19 11.426 1.531 0.507 0.684 0.889 0.500 CB 1.109 19 residues pruned to eliminate duplicates Z: 27 16.070 1.681 0.529 0.653 0.885 0.538 CB 1.202 27 residues pruned to eliminate duplicates Z: 9 12.688 1.753 0.569 0.853 0.875 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 13 15.371 1.684 0.546 0.859 1.000 0.667 CB 1.254 13 residues pruned to eliminate duplicates Z: 18 20.106 1.649 0.629 0.852 1.000 0.824 N 1.343 18 residues pruned to eliminate duplicates Z: 10 14.493 1.553 0.792 0.872 1.000 0.778 N 1.266 10 residues pruned to eliminate duplicates Z: 31 21.722 1.688 0.580 0.736 0.900 0.633 N 1.337 31 residues pruned to eliminate duplicates Z: 12 9.534 1.516 0.772 0.701 0.818 0.273 N 1.089 12 residues pruned to eliminate duplicates Z: 12 11.713 1.561 0.855 0.687 0.909 0.727 CB 1.131 12 residues pruned to eliminate duplicates Z: 24 13.508 1.580 0.553 0.698 0.826 0.652 CB 1.160 24 residues pruned to eliminate duplicates Z: 11 11.687 1.611 0.726 0.757 1.000 0.600 CB 1.057 11 residues pruned to eliminate duplicates Z: 19 15.948 1.598 0.547 0.781 1.000 0.500 CB 1.187 19 residues pruned to eliminate duplicates Z: 9 3.823 1.536 0.559 0.557 0.625 0.375 CB 0.854 9 residues pruned to eliminate duplicates Z: 11 7.871 1.491 0.467 0.891 0.800 0.700 CB 1.023 11 residues pruned to eliminate duplicates Z: 11 7.106 1.535 0.299 0.891 0.800 0.700 CB 1.013 11 residues pruned to eliminate duplicates Z: 16 7.344 1.562 0.503 0.697 0.867 0.667 CB 0.778 16 residues pruned to eliminate duplicates Z: 24 19.163 1.617 0.573 0.907 0.957 0.870 CB 1.168 24 residues pruned to eliminate duplicates Z: 15 6.264 1.549 0.291 0.593 0.786 0.357 CB 0.975 15 residues pruned to eliminate duplicates Z: 23 11.543 1.545 0.441 0.710 0.864 0.682 CB 1.058 23 residues pruned to eliminate duplicates Z: 7 5.119 1.488 0.228 0.783 1.000 0.667 CB 0.891 7 residues pruned to eliminate duplicates Z: 15 8.285 1.454 0.493 0.618 0.857 0.286 O 1.065 15 residues pruned to eliminate duplicates Z: 26 10.648 1.494 0.416 0.612 0.800 0.400 CB 1.132 26 residues pruned to eliminate duplicates Z: 8 4.825 1.494 0.639 0.822 0.714 0.571 CB 0.789 8 residues pruned to eliminate duplicates Z: 17 6.020 1.557 0.189 0.492 0.875 0.625 CB 0.936 10 residues pruned to eliminate duplicates Z: 13 10.131 1.404 0.598 0.823 1.000 0.583 CB 0.986 11 residues pruned to eliminate duplicates Z: 8 7.698 1.481 0.506 0.807 0.857 0.429 CB 1.165 8 residues pruned to eliminate duplicates Z: 7 3.028 1.570 0.232 0.668 0.500 0.333 CB 1.094 7 residues pruned to eliminate duplicates Z: 6 2.958 1.495 0.373 0.553 0.600 0.400 CB 1.020 6 residues pruned to eliminate duplicates Z: 15 6.022 1.547 0.248 0.531 0.929 0.643 CB 0.871 15 residues pruned to eliminate duplicates Z: 7 3.174 1.534 0.160 0.675 0.667 0.500 CB 0.930 7 residues pruned to eliminate duplicates Z: 17 6.157 1.575 0.322 0.499 0.750 0.312 CB 0.987 15 residues pruned to eliminate duplicates Z: 14 8.223 1.490 0.392 0.653 0.923 0.615 CA 1.033 14 residues pruned to eliminate duplicates Z: 9 5.151 1.552 0.382 0.417 0.875 0.500 CB 1.058 9 residues pruned to eliminate duplicates Z: 6 4.465 1.303 0.762 0.349 1.000 0.400 CB 1.025 6 residues pruned to eliminate duplicates Z: 15 17.464 1.772 0.607 0.684 0.929 0.429 N 1.491 15 residues pruned to eliminate duplicates Z: 12 19.600 2.009 0.466 0.788 1.000 0.727 CB 1.557 14 residues pruned to eliminate duplicates Z: 10 8.936 1.656 0.461 0.722 0.889 0.667 O 1.133 10 residues pruned to eliminate duplicates Z: 16 19.584 1.884 0.553 0.657 1.000 0.533 CB 1.493 19 residues pruned to eliminate duplicates Z: 12 20.471 1.954 0.436 0.881 1.000 0.909 CB 1.593 12 residues pruned to eliminate duplicates Z: 17 12.952 1.873 0.497 0.544 0.812 0.562 CB 1.361 17 residues pruned to eliminate duplicates Z: 14 11.605 1.859 0.507 0.533 0.846 0.615 CB 1.315 14 residues pruned to eliminate duplicates Z: 12 14.827 1.966 0.859 0.607 0.818 0.364 CB 1.350 12 residues pruned to eliminate duplicates Z: 17 12.340 1.819 0.488 0.533 0.812 0.625 CB 1.358 17 residues pruned to eliminate duplicates Z: 15 12.338 1.890 0.637 0.562 0.714 0.571 CB 1.406 15 residues pruned to eliminate duplicates Z: 14 20.167 1.966 0.712 0.750 0.923 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 13 14.582 1.964 0.599 0.653 0.833 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 12 17.485 1.924 0.834 0.759 1.000 0.636 CB 1.187 16 residues pruned to eliminate duplicates Z: 14 19.793 1.895 0.736 0.742 1.000 0.692 CB 1.343 13 residues pruned to eliminate duplicates Z: 6 5.027 1.449 0.224 0.528 1.000 0.200 O 1.234 Z: 6 3.906 1.488 0.213 0.453 0.800 0.200 O 1.269 6 residues pruned to eliminate duplicates Z: 9 3.157 1.579 0.288 0.359 0.625 0.250 CB 1.023 20 residues pruned to eliminate duplicates Z: 6 3.458 1.490 0.271 0.492 0.800 0.800 N 1.028 6 residues pruned to eliminate duplicates Z: 11 8.475 1.774 0.421 0.463 0.800 0.600 N 1.380 11 residues pruned to eliminate duplicates Z: 9 10.122 1.808 0.685 0.590 0.875 0.750 CB 1.232 9 residues pruned to eliminate duplicates Z: 13 10.415 1.707 0.617 0.514 0.833 0.417 CB 1.289 13 residues pruned to eliminate duplicates Z: 8 5.858 1.614 0.660 0.443 0.857 0.571 CA 1.022 8 residues pruned to eliminate duplicates Z: 25 13.874 1.691 0.521 0.519 0.875 0.583 CB 1.235 23 residues pruned to eliminate duplicates Z: 10 12.875 1.598 0.677 0.850 0.889 0.778 N 1.335 10 residues pruned to eliminate duplicates Z: 21 15.063 1.755 0.379 0.622 0.950 0.650 CB 1.306 21 residues pruned to eliminate duplicates Z: 18 11.649 1.716 0.406 0.565 0.882 0.647 CB 1.246 18 residues pruned to eliminate duplicates Z: 25 16.081 1.672 0.573 0.556 0.917 0.583 CB 1.289 28 residues pruned to eliminate duplicates Z: 12 14.104 1.657 0.811 0.704 0.909 0.727 CA 1.295 12 residues pruned to eliminate duplicates Z: 19 13.022 1.720 0.452 0.521 0.889 0.444 CB 1.354 19 residues pruned to eliminate duplicates Z: 18 9.042 1.664 0.306 0.457 0.824 0.588 CB 1.280 18 residues pruned to eliminate duplicates Z: 15 10.138 1.716 0.369 0.503 0.929 0.429 CB 1.238 15 residues pruned to eliminate duplicates Z: 12 7.277 1.670 0.388 0.419 0.909 0.455 CB 1.132 12 residues pruned to eliminate duplicates Z: 13 6.495 1.690 0.214 0.443 0.833 0.417 CB 1.163 13 residues pruned to eliminate duplicates Z: 7 3.558 1.694 0.205 0.493 0.833 0.500 CB 0.859 7 residues pruned to eliminate duplicates Z: 11 5.622 1.721 0.448 0.322 0.700 0.200 CB 1.240 7 residues pruned to eliminate duplicates Z: 7 6.026 1.464 0.213 0.529 1.000 0.500 O 1.345 6 residues pruned to eliminate duplicates Z: 11 5.318 1.328 0.227 0.778 0.900 0.600 CB 0.898 10 residues pruned to eliminate duplicates Z: 9 10.017 1.484 0.810 0.838 0.875 0.750 N 1.126 10 residues pruned to eliminate duplicates Z: 10 10.708 1.451 0.734 0.874 1.000 0.778 CB 1.032 9 residues pruned to eliminate duplicates Z: 7 7.026 1.495 0.676 0.800 1.000 0.833 CB 0.881 7 residues pruned to eliminate duplicates Z: 8 7.479 1.482 0.474 0.665 1.000 0.857 CB 1.111 8 residues pruned to eliminate duplicates Z: 9 5.629 1.448 0.492 0.497 0.750 0.500 CB 1.231 9 residues pruned to eliminate duplicates Z: 6 8.181 1.499 0.610 0.651 1.000 1.000 O 1.317 6 residues pruned to eliminate duplicates Z: 7 7.269 1.501 0.969 0.768 0.833 0.667 CB 0.951 7 residues pruned to eliminate duplicates Z: 7 9.185 1.499 0.844 0.825 1.000 0.833 CB 1.023 7 residues pruned to eliminate duplicates Z: 6 4.431 1.454 0.285 0.859 1.000 0.800 CB 0.780 Z: 8 4.095 1.423 0.324 0.815 1.000 0.857 CB 0.625 8 residues pruned to eliminate duplicates Z: 8 4.503 1.442 0.172 0.867 1.000 1.000 CB 0.737 7 residues pruned to eliminate duplicates Z: 9 6.976 1.457 0.507 0.855 1.000 0.875 CB 0.829 7 residues pruned to eliminate duplicates Z: 9 6.363 1.445 0.491 0.842 1.000 0.625 CB 0.778 9 residues pruned to eliminate duplicates Z: 6 4.699 1.548 0.479 0.441 0.800 0.400 N 1.220 6 residues pruned to eliminate duplicates Z: 8 6.943 1.522 0.559 0.484 0.857 0.714 CB 1.311 8 residues pruned to eliminate duplicates Z: 10 7.572 1.509 0.664 0.384 0.889 0.444 O 1.279 10 residues pruned to eliminate duplicates Z: 7 3.609 1.369 0.645 0.475 0.667 0.500 N 1.006 7 residues pruned to eliminate duplicates Z: 15 14.589 1.650 0.556 0.755 0.929 0.786 CB 1.303 15 residues pruned to eliminate duplicates Z: 18 8.895 1.581 0.328 0.529 0.765 0.529 CB 1.305 18 residues pruned to eliminate duplicates Z: 13 9.617 1.616 0.426 0.633 0.917 0.833 CB 1.160 13 residues pruned to eliminate duplicates Z: 11 8.471 1.639 0.337 0.709 0.800 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 10 7.769 1.557 0.715 0.429 0.889 0.556 CB 1.175 10 residues pruned to eliminate duplicates Z: 10 8.160 1.650 0.460 0.456 0.889 0.556 CB 1.329 10 residues pruned to eliminate duplicates Z: 8 5.091 1.627 0.371 0.536 0.857 0.714 CB 0.971 8 residues pruned to eliminate duplicates Z: 11 6.496 1.552 0.530 0.618 0.800 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 16 10.869 1.632 0.605 0.752 0.733 0.600 CB 1.167 16 residues pruned to eliminate duplicates Z: 19 13.204 1.668 0.393 0.717 0.889 0.833 CB 1.238 19 residues pruned to eliminate duplicates Z: 14 9.440 1.640 0.390 0.670 0.846 0.538 CB 1.161 14 residues pruned to eliminate duplicates Z: 11 8.585 1.636 0.253 0.644 0.800 0.700 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 9.819 1.559 0.560 0.582 0.923 0.462 CB 1.121 14 residues pruned to eliminate duplicates Z: 9 9.077 1.624 0.590 0.770 0.750 0.500 CB 1.304 9 residues pruned to eliminate duplicates Z: 10 8.306 1.648 0.428 0.669 0.778 0.444 CB 1.294 10 residues pruned to eliminate duplicates Z: 11 6.143 1.575 0.285 0.669 0.800 0.700 CB 1.027 11 residues pruned to eliminate duplicates Z: 6 7.336 1.679 0.598 0.651 0.800 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 13 7.319 1.545 0.625 0.443 0.750 0.250 CB 1.189 13 residues pruned to eliminate duplicates Z: 8 6.699 1.630 0.584 0.696 0.857 0.571 CB 0.957 8 residues pruned to eliminate duplicates Z: 8 3.200 1.617 0.008 0.213 0.857 0.429 CB 1.215 3 residues pruned to eliminate duplicates Z: 6 2.976 1.645 0.016 0.250 0.800 0.400 N 1.328 5 residues pruned to eliminate duplicates Z: 14 5.604 1.671 0.182 0.469 0.769 0.538 CB 1.056 14 residues pruned to eliminate duplicates Z: 13 6.245 1.618 0.434 0.477 0.917 0.500 CB 0.868 13 residues pruned to eliminate duplicates Z: 13 5.377 1.626 0.278 0.376 0.750 0.500 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 5.225 1.512 0.311 0.556 0.636 0.182 CB 1.183 12 residues pruned to eliminate duplicates Z: 16 7.276 1.637 0.334 0.421 1.000 0.533 CB 0.935 13 residues pruned to eliminate duplicates Z: 7 3.080 1.652 0.384 0.867 0.833 0.833 CB 0.483 7 residues pruned to eliminate duplicates Z: 16 6.614 1.681 0.341 0.373 0.733 0.467 CB 1.184 16 residues pruned to eliminate duplicates Z: 14 5.642 1.619 0.236 0.514 0.769 0.538 CB 1.003 14 residues pruned to eliminate duplicates Z: 14 7.076 1.453 0.492 0.683 1.000 0.538 CB 0.765 9 residues pruned to eliminate duplicates Z: 9 8.088 1.496 0.733 0.876 1.000 0.375 CB 0.801 10 residues pruned to eliminate duplicates Z: 13 8.511 1.598 0.513 0.856 1.000 0.667 CB 0.750 13 residues pruned to eliminate duplicates Z: 29 8.610 1.511 0.410 0.427 0.857 0.464 CB 0.962 34 residues pruned to eliminate duplicates Z: 14 6.338 1.445 0.449 0.865 1.000 0.769 CB 0.615 14 residues pruned to eliminate duplicates 6 1.764 1.228 0.721 0.100 0.800 0.200 N 0.778 ? Z: 14 7.624 1.614 0.433 0.642 0.923 0.615 CB 0.868 14 residues pruned to eliminate duplicates Z: 10 8.034 1.685 0.602 0.612 0.889 0.444 CB 1.004 10 residues pruned to eliminate duplicates Z: 9 4.341 1.591 0.190 0.385 0.875 0.250 CB 1.047 Z: 7 3.177 1.392 0.141 0.421 0.833 0.500 CA 1.065 7 residues pruned to eliminate duplicates Z: 12 4.516 1.494 0.300 0.464 0.909 0.455 CB 0.800 21 residues pruned to eliminate duplicates Z: 7 3.470 1.580 0.244 0.442 1.000 0.833 O 0.766 Z: 7 6.576 1.521 0.295 0.829 1.000 0.833 CB 1.026 7 residues pruned to eliminate duplicates Z: 6 6.416 1.596 0.531 0.582 1.000 0.400 N 1.086 6 residues pruned to eliminate duplicates Z: 9 6.013 1.588 0.038 0.632 1.000 0.750 CA 1.140 9 residues pruned to eliminate duplicates Z: 10 8.516 1.581 0.272 0.606 1.000 0.667 CB 1.277 10 residues pruned to eliminate duplicates Z: 13 11.299 1.514 0.382 0.691 1.000 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 9 11.894 1.675 0.456 0.906 1.000 1.000 CB 1.226 9 residues pruned to eliminate duplicates Z: 17 12.659 1.628 0.445 0.735 0.938 0.812 CB 1.162 19 residues pruned to eliminate duplicates Z: 10 13.255 1.681 0.533 0.883 1.000 0.889 CB 1.240 10 residues pruned to eliminate duplicates Z: 13 8.893 1.558 0.432 0.677 0.833 0.667 N 1.174 13 residues pruned to eliminate duplicates Z: 14 11.664 1.604 0.575 0.704 0.923 0.769 CB 1.153 14 residues pruned to eliminate duplicates Z: 13 14.039 1.595 0.746 0.765 1.000 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 19 12.410 1.568 0.682 0.678 0.833 0.556 CB 1.130 19 residues pruned to eliminate duplicates Z: 11 12.295 1.666 0.696 0.815 0.900 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 19 14.241 1.564 0.610 0.711 0.944 0.778 CB 1.166 20 residues pruned to eliminate duplicates Z: 13 8.038 1.541 0.317 0.715 0.833 0.417 CB 1.129 13 residues pruned to eliminate duplicates Z: 17 8.717 1.638 0.295 0.596 0.812 0.500 CB 1.154 18 residues pruned to eliminate duplicates Z: 13 11.502 1.576 0.358 0.805 1.000 0.667 CB 1.189 10 residues pruned to eliminate duplicates Z: 12 12.026 1.664 0.607 0.776 0.909 0.545 CB 1.169 12 residues pruned to eliminate duplicates Z: 12 10.168 1.678 0.537 0.734 0.818 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 12 10.281 1.696 0.595 0.691 0.818 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 14 8.628 1.625 0.427 0.577 0.846 0.615 CB 1.132 14 residues pruned to eliminate duplicates Z: 17 11.630 1.642 0.418 0.573 0.875 0.688 CB 1.329 17 residues pruned to eliminate duplicates Z: 11 14.474 1.752 0.608 0.757 1.000 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 12 10.924 1.713 0.563 0.740 0.818 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 6 7.000 1.565 0.578 0.767 0.800 0.600 CB 1.250 6 residues pruned to eliminate duplicates Z: 16 11.882 1.700 0.337 0.714 0.933 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 13 17.570 1.822 0.542 0.807 1.000 0.750 CB 1.382 13 residues pruned to eliminate duplicates Z: 9 11.166 1.802 0.495 0.701 0.875 0.375 N 1.395 9 residues pruned to eliminate duplicates Z: 17 12.390 1.702 0.438 0.665 0.938 0.500 CB 1.159 17 residues pruned to eliminate duplicates Z: 27 10.779 1.641 0.347 0.544 0.846 0.615 CB 1.082 16 residues pruned to eliminate duplicates Z: 13 17.827 1.783 0.606 0.833 0.917 0.667 CB 1.471 13 residues pruned to eliminate duplicates Z: 16 15.507 1.753 0.413 0.712 1.000 0.467 CB 1.334 16 residues pruned to eliminate duplicates Z: 12 21.217 1.870 0.641 0.903 1.000 0.636 CB 1.487 12 residues pruned to eliminate duplicates Z: 15 17.657 1.787 0.542 0.734 1.000 0.429 CB 1.387 15 residues pruned to eliminate duplicates Z: 15 5.947 1.626 0.481 0.362 0.786 0.429 CB 0.974 16 residues pruned to eliminate duplicates Z: 14 16.260 1.640 0.651 0.896 0.923 0.462 CB 1.293 14 residues pruned to eliminate duplicates Z: 18 15.272 1.704 0.607 0.644 0.941 0.471 CB 1.256 18 residues pruned to eliminate duplicates Z: 24 16.142 1.713 0.540 0.626 0.957 0.609 CB 1.185 24 residues pruned to eliminate duplicates Z: 6 2.338 1.543 0.317 0.361 1.000 0.600 CB 0.598 6 residues pruned to eliminate duplicates Z: 7 4.145 1.730 0.472 0.227 1.000 0.500 CB 0.914 6 residues pruned to eliminate duplicates Z: 7 4.115 1.538 0.160 0.188 1.000 0.500 O 1.367 7 residues pruned to eliminate duplicates Z: 6 4.149 1.799 0.129 0.206 1.000 0.400 CB 1.295 6 residues pruned to eliminate duplicates Z: 38 15.516 1.818 0.388 0.442 0.838 0.676 CB 1.281 46 residues pruned to eliminate duplicates Z: 16 14.851 1.722 0.549 0.719 1.000 0.600 CB 1.179 19 residues pruned to eliminate duplicates Z: 11 13.747 1.651 0.857 0.724 1.000 0.600 N 1.158 11 residues pruned to eliminate duplicates Z: 10 9.185 1.731 0.545 0.669 0.889 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 28 15.873 1.777 0.438 0.563 0.926 0.519 CB 1.214 25 residues pruned to eliminate duplicates Z: 13 14.102 1.704 0.494 0.839 0.917 0.750 N 1.303 13 residues pruned to eliminate duplicates Z: 26 19.691 1.746 0.654 0.637 0.920 0.560 CB 1.304 25 residues pruned to eliminate duplicates Z: 11 14.431 1.795 0.519 0.898 0.900 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 37 16.714 1.815 0.437 0.465 0.861 0.528 CB 1.285 37 residues pruned to eliminate duplicates Z: 22 16.886 1.759 0.503 0.636 0.952 0.667 CB 1.289 22 residues pruned to eliminate duplicates Z: 26 12.072 1.729 0.457 0.512 0.880 0.640 CB 1.077 26 residues pruned to eliminate duplicates Z: 26 14.882 1.796 0.405 0.597 0.880 0.600 CB 1.222 26 residues pruned to eliminate duplicates Z: 34 14.901 1.770 0.486 0.491 0.909 0.667 CB 1.094 34 residues pruned to eliminate duplicates Z: 28 15.415 1.743 0.610 0.519 0.852 0.593 CB 1.218 28 residues pruned to eliminate duplicates Z: 22 10.756 1.855 0.527 0.315 0.810 0.476 CB 1.256 22 residues pruned to eliminate duplicates Z: 18 8.638 1.750 0.456 0.508 0.765 0.647 CB 1.066 18 residues pruned to eliminate duplicates Z: 8 7.247 1.841 0.646 0.490 0.857 0.571 CB 1.065 8 residues pruned to eliminate duplicates Z: 26 8.595 1.790 0.259 0.282 0.800 0.560 CB 1.219 26 residues pruned to eliminate duplicates Z: 38 17.654 1.786 0.559 0.495 0.919 0.514 CB 1.140 38 residues pruned to eliminate duplicates Z: 23 10.867 1.838 0.361 0.303 0.909 0.500 CB 1.268 25 residues pruned to eliminate duplicates Z: 6 3.633 1.396 0.738 0.289 1.000 0.400 CB 0.848 6 residues pruned to eliminate duplicates Z: 39 13.817 1.777 0.345 0.420 0.921 0.553 CB 1.106 39 residues pruned to eliminate duplicates Z: 23 11.003 1.795 0.487 0.324 0.864 0.682 CB 1.235 23 residues pruned to eliminate duplicates Z: 18 7.911 1.810 0.400 0.271 0.882 0.588 CB 1.113 18 residues pruned to eliminate duplicates Z: 21 10.940 1.885 0.505 0.319 0.850 0.550 CB 1.238 21 residues pruned to eliminate duplicates Z: 10 4.148 1.810 0.372 0.113 0.667 0.444 N 1.363 10 residues pruned to eliminate duplicates Z: 19 4.753 1.537 0.265 0.155 0.889 0.444 N 0.989 17 residues pruned to eliminate duplicates Z: 12 5.686 1.462 0.319 0.536 0.818 0.636 N 1.050 12 residues pruned to eliminate duplicates Z: 13 4.007 1.586 0.446 0.178 0.667 0.250 CB 1.116 13 residues pruned to eliminate duplicates Z: 26 8.759 1.756 0.354 0.273 0.840 0.520 CB 1.135 26 residues pruned to eliminate duplicates Z: 36 16.808 1.788 0.496 0.433 0.943 0.543 CB 1.207 36 residues pruned to eliminate duplicates Z: 37 11.179 1.799 0.194 0.363 0.861 0.500 CB 1.166 37 residues pruned to eliminate duplicates Z: 6 4.755 1.547 0.300 0.638 0.800 0.400 CB 1.161 6 residues pruned to eliminate duplicates Z: 11 7.193 1.514 0.514 0.735 0.900 0.700 CB 0.893 11 residues pruned to eliminate duplicates Z: 6 3.366 1.482 0.268 0.789 0.800 0.600 CB 0.776 6 residues pruned to eliminate duplicates Z: 11 11.187 1.725 0.371 0.890 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 11 12.031 1.721 0.363 0.918 1.000 1.000 CB 1.144 11 residues pruned to eliminate duplicates Z: 11 8.204 1.747 0.680 0.696 0.800 0.500 CB 0.924 11 residues pruned to eliminate duplicates Z: 9 10.873 1.741 0.546 0.815 0.875 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 15 10.732 1.678 0.580 0.792 0.857 0.643 CB 0.976 15 residues pruned to eliminate duplicates Z: 14 13.001 1.688 0.524 0.838 0.923 0.692 CB 1.135 14 residues pruned to eliminate duplicates Z: 23 9.719 1.615 0.534 0.443 0.864 0.591 CB 1.027 19 residues pruned to eliminate duplicates Z: 9 12.697 1.760 0.496 0.843 0.875 0.750 CB 1.451 9 residues pruned to eliminate duplicates Z: 11 8.323 1.713 0.450 0.803 0.900 0.700 CB 0.903 11 residues pruned to eliminate duplicates Z: 13 10.593 1.750 0.646 0.564 0.917 0.583 CB 1.088 13 residues pruned to eliminate duplicates Z: 18 11.367 1.621 0.662 0.722 1.000 0.588 CB 0.837 18 residues pruned to eliminate duplicates Z: 19 14.511 1.765 0.771 0.595 0.944 0.556 CB 1.058 20 residues pruned to eliminate duplicates Z: 6 5.910 1.516 0.399 0.475 1.000 0.800 N 1.278 6 residues pruned to eliminate duplicates Z: 26 14.609 1.804 0.509 0.514 1.000 0.640 CB 1.058 26 residues pruned to eliminate duplicates Z: 9 10.104 1.876 0.676 0.568 0.875 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 6 4.077 1.510 0.303 0.700 1.000 0.800 CB 0.772 5 residues pruned to eliminate duplicates Z: 11 13.330 1.689 0.672 0.705 0.900 0.600 N 1.376 11 residues pruned to eliminate duplicates Z: 15 13.779 1.700 0.453 0.726 0.857 0.500 CB 1.419 15 residues pruned to eliminate duplicates Z: 9 13.886 1.878 0.487 0.759 1.000 0.625 CB 1.396 9 residues pruned to eliminate duplicates Z: 12 7.205 1.617 0.532 0.529 0.727 0.545 N 1.172 21 residues pruned to eliminate duplicates Z: 9 17.406 1.779 1.015 0.853 0.875 0.625 CB 1.450 9 residues pruned to eliminate duplicates Z: 9 14.514 1.789 0.909 0.754 0.875 0.250 CB 1.370 9 residues pruned to eliminate duplicates Z: 12 11.103 1.667 0.550 0.694 0.909 0.545 CB 1.194 12 residues pruned to eliminate duplicates Z: 13 11.417 1.636 0.723 0.687 0.750 0.333 N 1.312 13 residues pruned to eliminate duplicates Z: 15 12.369 1.593 0.410 0.721 0.929 0.429 N 1.298 15 residues pruned to eliminate duplicates Z: 15 13.040 1.615 0.516 0.607 1.000 0.643 CB 1.285 11 residues pruned to eliminate duplicates Z: 13 14.275 1.572 0.865 0.823 0.917 0.667 CB 1.159 16 residues pruned to eliminate duplicates Z: 13 14.099 1.607 0.676 0.840 0.917 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 14.277 1.650 0.535 0.898 1.000 1.000 CB 1.275 11 residues pruned to eliminate duplicates Z: 6 6.478 1.517 0.384 0.586 1.000 0.400 O 1.271 6 residues pruned to eliminate duplicates Z: 17 11.775 1.634 0.273 0.807 1.000 0.750 CB 1.083 23 residues pruned to eliminate duplicates Z: 13 4.775 1.532 0.253 0.473 0.750 0.500 CB 0.984 13 residues pruned to eliminate duplicates Z: 19 7.991 1.507 0.298 0.644 0.889 0.722 CB 0.947 19 residues pruned to eliminate duplicates Z: 18 11.377 1.557 0.667 0.708 0.882 0.647 CB 0.998 18 residues pruned to eliminate duplicates Z: 12 10.347 1.575 0.410 0.783 1.000 0.364 CB 1.095 12 residues pruned to eliminate duplicates Z: 18 15.478 1.661 0.463 0.884 1.000 0.824 CB 1.117 18 residues pruned to eliminate duplicates Z: 15 7.949 1.499 0.535 0.603 0.786 0.500 CB 1.066 15 residues pruned to eliminate duplicates Z: 15 10.706 1.589 0.462 0.824 1.000 0.786 CB 0.930 15 residues pruned to eliminate duplicates Z: 11 7.097 1.456 0.737 0.457 1.000 0.600 CB 0.928 11 residues pruned to eliminate duplicates Z: 15 9.249 1.573 0.623 0.775 0.857 0.643 CB 0.886 15 residues pruned to eliminate duplicates Z: 21 16.082 1.630 0.795 0.866 0.900 0.800 CB 1.000 21 residues pruned to eliminate duplicates Z: 21 17.281 1.629 0.852 0.888 0.950 0.850 CB 0.971 22 residues pruned to eliminate duplicates Z: 16 14.405 1.569 0.552 0.916 1.000 0.867 CB 1.078 16 residues pruned to eliminate duplicates Z: 19 14.994 1.601 0.693 0.918 0.944 0.833 CB 0.974 20 residues pruned to eliminate duplicates Z: 18 15.076 1.610 0.861 0.913 0.941 0.706 CB 0.918 17 residues pruned to eliminate duplicates Z: 20 16.183 1.579 0.859 0.855 0.947 0.526 CB 0.985 20 residues pruned to eliminate duplicates Z: 18 11.245 1.645 0.569 0.905 0.882 0.706 CB 0.852 18 residues pruned to eliminate duplicates Z: 19 14.561 1.624 0.709 0.894 1.000 0.667 CB 0.887 19 residues pruned to eliminate duplicates Z: 11 6.366 1.579 0.635 0.405 0.900 0.500 CB 0.958 9 residues pruned to eliminate duplicates Z: 7 6.270 1.593 0.420 0.472 1.000 0.667 N 1.164 7 residues pruned to eliminate duplicates Z: 8 4.022 1.433 0.420 0.516 0.857 0.571 CB 0.858 8 residues pruned to eliminate duplicates Z: 6 2.534 1.722 0.283 0.424 0.400 0.000 N 1.388 6 residues pruned to eliminate duplicates Z: 23 19.328 1.812 0.557 0.748 0.955 0.818 CB 1.226 23 residues pruned to eliminate duplicates Z: 10 6.521 1.698 0.582 0.490 0.778 0.667 CB 1.050 10 residues pruned to eliminate duplicates Z: 25 13.077 1.754 0.232 0.658 0.917 0.583 CB 1.164 25 residues pruned to eliminate duplicates Z: 14 17.020 1.905 0.565 0.785 1.000 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 15 15.952 1.864 0.583 0.830 0.929 0.786 CB 1.170 17 residues pruned to eliminate duplicates Z: 21 16.337 1.823 0.568 0.702 0.950 0.500 CB 1.119 21 residues pruned to eliminate duplicates Z: 17 11.817 1.790 0.483 0.683 0.938 0.625 CB 1.003 17 residues pruned to eliminate duplicates Z: 18 9.419 1.739 0.339 0.641 0.882 0.412 CB 0.975 18 residues pruned to eliminate duplicates Z: 20 10.455 1.749 0.431 0.451 0.895 0.474 CB 1.127 20 residues pruned to eliminate duplicates Z: 17 10.744 1.799 0.569 0.509 0.875 0.688 CB 1.077 17 residues pruned to eliminate duplicates Z: 22 10.345 1.701 0.484 0.477 0.857 0.524 CB 1.068 22 residues pruned to eliminate duplicates Z: 23 10.155 1.671 0.449 0.460 0.864 0.500 CB 1.078 23 residues pruned to eliminate duplicates Z: 16 10.100 1.811 0.476 0.536 0.867 0.533 CB 1.087 16 residues pruned to eliminate duplicates Z: 20 14.530 1.826 0.574 0.672 0.895 0.421 CB 1.106 20 residues pruned to eliminate duplicates Z: 16 11.237 1.829 0.462 0.606 0.867 0.733 CB 1.131 16 residues pruned to eliminate duplicates Z: 24 20.789 1.788 0.618 0.733 1.000 0.696 CB 1.215 25 residues pruned to eliminate duplicates Z: 20 11.475 1.744 0.332 0.537 1.000 0.474 CB 1.093 20 residues pruned to eliminate duplicates Z: 23 19.529 1.798 0.673 0.703 1.000 0.545 CB 1.151 23 residues pruned to eliminate duplicates Z: 16 13.902 1.799 0.638 0.584 0.933 0.533 CB 1.204 16 residues pruned to eliminate duplicates Z: 17 10.732 1.777 0.444 0.525 0.938 0.562 CB 1.087 17 residues pruned to eliminate duplicates Z: 16 10.154 1.802 0.467 0.531 0.933 0.533 CB 1.031 16 residues pruned to eliminate duplicates Z: 17 10.216 1.724 0.448 0.531 0.938 0.688 CB 1.058 17 residues pruned to eliminate duplicates Z: 7 4.698 1.662 1.003 0.370 0.667 0.500 CB 0.994 7 residues pruned to eliminate duplicates Z: 7 10.275 1.767 0.492 0.652 1.000 0.667 N 1.382 7 residues pruned to eliminate duplicates Z: 6 7.051 1.772 0.525 0.624 0.800 0.800 N 1.297 6 residues pruned to eliminate duplicates Z: 6 7.572 1.763 0.499 0.769 0.800 0.400 CB 1.262 6 residues pruned to eliminate duplicates Z: 7 6.249 1.735 0.231 0.677 0.833 0.333 CB 1.218 7 residues pruned to eliminate duplicates Z: 10 7.514 1.551 0.572 0.587 0.889 0.667 CB 1.063 10 residues pruned to eliminate duplicates Z: 17 6.602 1.578 0.370 0.516 0.812 0.625 CB 0.925 20 residues pruned to eliminate duplicates Z: 9 9.546 1.678 0.560 0.858 1.000 0.500 CB 0.950 9 residues pruned to eliminate duplicates Z: 21 11.019 1.554 0.534 0.532 0.900 0.500 CB 1.113 21 residues pruned to eliminate duplicates Z: 14 11.164 1.642 0.496 0.650 0.923 0.769 CB 1.187 14 residues pruned to eliminate duplicates Z: 9 7.613 1.589 0.271 0.454 1.000 0.750 CB 1.397 11 residues pruned to eliminate duplicates Z: 9 10.612 1.629 0.636 0.792 1.000 0.750 CB 1.090 15 residues pruned to eliminate duplicates Z: 11 12.372 1.744 0.501 0.873 1.000 0.900 CB 1.088 11 residues pruned to eliminate duplicates Z: 12 8.715 1.595 0.510 0.558 0.909 0.727 CB 1.135 12 residues pruned to eliminate duplicates Z: 14 10.671 1.668 0.565 0.610 0.923 0.462 CB 1.106 13 residues pruned to eliminate duplicates Z: 10 13.444 1.735 0.493 0.877 1.000 0.778 CB 1.256 10 residues pruned to eliminate duplicates Z: 10 13.983 1.737 0.577 0.823 0.889 0.667 N 1.447 10 residues pruned to eliminate duplicates Z: 10 14.355 1.776 0.877 0.804 0.889 0.667 CB 1.238 10 residues pruned to eliminate duplicates Z: 8 13.485 1.790 0.598 0.829 1.000 0.714 CB 1.341 8 residues pruned to eliminate duplicates Z: 9 10.899 1.722 0.480 0.814 1.000 0.750 CB 1.151 9 residues pruned to eliminate duplicates Z: 11 8.175 1.627 0.760 0.655 0.800 0.400 CB 0.977 10 residues pruned to eliminate duplicates Z: 10 10.589 1.707 0.668 0.854 1.000 0.778 CB 0.915 11 residues pruned to eliminate duplicates Z: 6 2.391 1.062 0.421 0.465 0.800 0.600 CB 0.918 6 residues pruned to eliminate duplicates Z: 13 12.224 1.677 0.670 0.555 0.917 0.500 CB 1.303 13 residues pruned to eliminate duplicates Z: 8 6.100 1.636 -0.002 0.539 1.000 0.571 N 1.358 8 residues pruned to eliminate duplicates Z: 13 10.984 1.715 0.519 0.553 0.917 0.500 CB 1.261 13 residues pruned to eliminate duplicates Z: 13 8.753 1.713 0.205 0.524 0.917 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 17 10.587 1.667 0.524 0.502 0.812 0.500 N 1.279 15 residues pruned to eliminate duplicates Z: 10 10.037 1.602 0.439 0.673 1.000 0.556 CB 1.237 9 residues pruned to eliminate duplicates Z: 10 10.061 1.568 0.827 0.510 1.000 0.222 N 1.160 10 residues pruned to eliminate duplicates Z: 9 4.411 1.631 -0.117 0.498 0.875 0.500 N 1.240 10 residues pruned to eliminate duplicates Z: 9 5.177 1.677 -0.081 0.535 0.875 0.500 CB 1.312 8 residues pruned to eliminate duplicates Z: 8 8.045 1.618 0.629 0.645 1.000 0.571 CA 1.008 8 residues pruned to eliminate duplicates Z: 8 6.779 1.622 0.211 0.730 1.000 0.714 CA 1.061 8 residues pruned to eliminate duplicates Z: 21 10.306 1.637 0.359 0.518 0.850 0.650 CB 1.197 21 residues pruned to eliminate duplicates Z: 8 10.517 1.795 0.894 0.562 0.857 0.429 CB 1.284 9 residues pruned to eliminate duplicates Z: 8 7.240 1.610 0.301 0.556 1.000 0.714 CA 1.237 8 residues pruned to eliminate duplicates Z: 8 2.832 1.647 0.325 0.533 0.857 0.571 CB 0.554 8 residues pruned to eliminate duplicates Z: 9 5.413 1.429 0.721 0.636 0.750 0.375 CB 0.913 9 residues pruned to eliminate duplicates Z: 13 13.196 1.904 0.449 0.843 0.917 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 17 9.698 1.797 0.370 0.591 0.938 0.625 CB 0.963 17 residues pruned to eliminate duplicates Z: 13 13.373 1.926 0.453 0.791 1.000 0.667 CB 1.068 13 residues pruned to eliminate duplicates Z: 18 14.469 1.810 0.494 0.679 0.941 0.529 CB 1.170 18 residues pruned to eliminate duplicates Z: 20 13.523 1.723 0.700 0.692 0.895 0.526 CB 0.993 21 residues pruned to eliminate duplicates Z: 12 15.446 1.857 0.858 0.849 1.000 0.727 CB 1.000 12 residues pruned to eliminate duplicates Z: 18 13.098 1.711 0.966 0.762 0.765 0.706 CB 0.979 18 residues pruned to eliminate duplicates Z: 17 10.446 1.792 0.492 0.664 0.875 0.438 CB 0.959 17 residues pruned to eliminate duplicates Z: 12 14.912 1.843 1.028 0.842 0.909 0.545 CB 0.986 12 residues pruned to eliminate duplicates Z: 18 16.969 1.735 0.876 0.759 0.941 0.529 CB 1.066 14 residues pruned to eliminate duplicates Z: 14 19.906 1.714 0.835 0.895 1.000 0.769 CB 1.258 15 residues pruned to eliminate duplicates Z: 16 18.815 1.747 0.964 0.863 0.933 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 6 2.010 1.487 0.329 0.217 1.000 0.200 CB 0.634 4 residues pruned to eliminate duplicates Z: 6 4.036 1.270 0.693 0.742 1.000 0.600 CB 0.676 Z: 7 2.705 1.295 0.278 0.750 1.000 0.500 CB 0.534 6 residues pruned to eliminate duplicates Z: 7 6.717 1.332 0.599 0.849 1.000 0.833 CB 0.955 Z: 8 7.292 1.424 0.440 0.855 1.000 0.714 CB 0.992 14 residues pruned to eliminate duplicates Z: 9 4.294 1.350 0.436 0.792 0.750 0.500 O 0.808 6 residues pruned to eliminate duplicates Z: 10 5.997 1.468 0.545 0.790 0.889 0.667 CB 0.769 17 residues pruned to eliminate duplicates Z: 9 3.667 1.400 0.592 0.731 0.875 0.750 CB 0.540 9 residues pruned to eliminate duplicates Z: 8 6.878 1.536 0.783 0.895 0.857 0.857 CB 0.794 Z: 7 6.662 1.476 0.839 0.832 0.833 0.667 CB 0.903 7 residues pruned to eliminate duplicates Z: 7 3.431 1.404 0.435 0.590 1.000 0.833 CB 0.638 7 residues pruned to eliminate duplicates Z: 8 7.338 1.496 0.642 0.754 1.000 0.714 CB 0.900 24 residues pruned to eliminate duplicates Z: 10 5.455 1.488 0.774 0.867 0.889 0.889 CB 0.567 10 residues pruned to eliminate duplicates Z: 10 6.919 1.450 0.840 0.782 0.889 0.667 CB 0.759 10 residues pruned to eliminate duplicates Z: 12 3.405 1.495 0.311 0.473 0.818 0.364 CB 0.657 12 residues pruned to eliminate duplicates Z: 11 3.631 1.553 0.425 0.445 0.700 0.500 CB 0.784 13 residues pruned to eliminate duplicates Z: 7 3.002 1.149 0.937 0.385 0.833 0.500 N 0.747 7 residues pruned to eliminate duplicates Z: 9 5.330 1.571 0.606 0.367 0.875 0.375 CB 0.985 8 residues pruned to eliminate duplicates Z: 7 7.316 1.575 0.119 0.867 1.000 1.000 O 1.240 Z: 8 7.273 1.490 0.197 0.851 1.000 0.857 CB 1.141 7 residues pruned to eliminate duplicates Z: 8 7.374 1.505 0.167 0.844 1.000 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 8 8.483 1.551 0.344 0.816 1.000 0.714 CB 1.169 20 residues pruned to eliminate duplicates Z: 8 5.633 1.483 0.177 0.774 1.000 0.714 CB 0.958 8 residues pruned to eliminate duplicates Z: 6 7.082 1.725 0.126 0.748 1.000 0.800 CB 1.306 6 residues pruned to eliminate duplicates Z: 8 7.244 1.545 0.258 0.724 1.000 0.571 CB 1.151 8 residues pruned to eliminate duplicates Z: 11 8.203 1.585 0.599 0.544 0.900 0.600 CB 1.089 11 residues pruned to eliminate duplicates Z: 24 18.308 1.886 0.678 0.592 0.957 0.696 CB 1.155 23 residues pruned to eliminate duplicates Z: 13 17.321 1.845 0.617 0.882 1.000 1.000 CB 1.212 13 residues pruned to eliminate duplicates Z: 14 18.466 1.911 0.875 0.703 0.923 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 24 17.130 1.834 0.766 0.549 0.913 0.478 CB 1.152 24 residues pruned to eliminate duplicates Z: 24 19.318 1.899 0.613 0.617 1.000 0.478 CB 1.178 23 residues pruned to eliminate duplicates Z: 13 19.036 1.845 0.918 0.842 0.917 0.750 CB 1.262 13 residues pruned to eliminate duplicates Z: 21 17.707 1.864 0.544 0.665 0.900 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 12 24.513 1.948 0.816 0.893 1.000 0.909 CB 1.501 12 residues pruned to eliminate duplicates Z: 23 15.484 1.901 0.483 0.623 0.909 0.682 CB 1.147 23 residues pruned to eliminate duplicates Z: 24 17.726 1.896 0.642 0.594 0.870 0.609 CB 1.247 24 residues pruned to eliminate duplicates Z: 26 15.352 1.853 0.534 0.577 0.880 0.640 CB 1.140 26 residues pruned to eliminate duplicates Z: 14 6.218 1.670 0.637 0.251 0.846 0.462 CB 0.993 12 residues pruned to eliminate duplicates 6 0.886 1.380 0.204 0.408 1.000 0.200 CB 0.263 ? Z: 10 12.938 1.900 0.240 0.808 1.000 0.889 CB 1.399 17 residues pruned to eliminate duplicates Z: 9 14.832 1.903 0.435 0.767 1.000 0.625 CB 1.516 9 residues pruned to eliminate duplicates Z: 9 13.465 1.974 0.333 0.827 1.000 0.625 CB 1.364 9 residues pruned to eliminate duplicates Z: 12 7.470 1.871 0.042 0.707 1.000 0.727 CB 0.957 12 residues pruned to eliminate duplicates Z: 11 6.833 1.888 0.099 0.748 0.900 0.700 CB 0.927 11 residues pruned to eliminate duplicates Z: 10 7.733 1.871 0.359 0.735 1.000 0.667 CB 0.821 10 residues pruned to eliminate duplicates Z: 12 8.080 1.837 0.272 0.682 0.909 0.545 CB 0.970 12 residues pruned to eliminate duplicates Z: 8 14.026 2.008 0.618 0.884 1.000 0.857 CB 1.179 8 residues pruned to eliminate duplicates Z: 7 3.130 1.665 0.521 0.431 1.000 0.333 CB 0.542 7 residues pruned to eliminate duplicates Z: 11 3.926 1.593 0.289 0.321 0.900 0.300 CB 0.818 11 residues pruned to eliminate duplicates Z: 17 10.172 1.831 0.494 0.588 0.938 0.625 CB 0.911 17 residues pruned to eliminate duplicates Z: 12 3.005 1.559 0.130 0.265 0.818 0.273 CB 0.821 12 residues pruned to eliminate duplicates Z: 20 8.619 1.685 0.457 0.527 0.842 0.474 CB 0.931 20 residues pruned to eliminate duplicates Z: 22 10.372 1.719 0.524 0.492 0.905 0.524 CB 0.963 22 residues pruned to eliminate duplicates Z: 16 14.133 1.796 0.849 0.689 0.933 0.667 CB 0.990 16 residues pruned to eliminate duplicates Z: 9 5.447 1.638 0.783 0.380 0.875 0.500 CB 0.856 9 residues pruned to eliminate duplicates Z: 16 12.512 1.771 0.539 0.638 0.933 0.667 CB 1.116 16 residues pruned to eliminate duplicates Z: 12 20.425 1.875 0.617 0.897 1.000 0.909 CB 1.454 12 residues pruned to eliminate duplicates Z: 13 16.856 1.852 0.779 0.704 1.000 0.750 CB 1.226 13 residues pruned to eliminate duplicates Z: 11 21.971 1.902 0.796 0.813 1.000 0.700 CB 1.549 11 residues pruned to eliminate duplicates Z: 15 15.609 1.707 0.670 0.678 1.000 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 11 14.041 1.755 0.615 0.781 1.000 0.800 CA 1.223 11 residues pruned to eliminate duplicates Z: 13 15.435 1.863 0.743 0.726 0.833 0.667 CB 1.343 13 residues pruned to eliminate duplicates Z: 13 15.755 1.815 0.587 0.713 1.000 0.917 CB 1.302 13 residues pruned to eliminate duplicates Z: 15 12.693 1.858 0.728 0.720 0.786 0.643 CB 1.102 15 residues pruned to eliminate duplicates Z: 15 13.701 1.854 0.612 0.727 0.929 0.643 CB 1.075 15 residues pruned to eliminate duplicates Z: 20 13.733 1.766 0.440 0.640 0.947 0.526 CB 1.148 20 residues pruned to eliminate duplicates Z: 20 15.567 1.790 0.579 0.641 0.947 0.737 CB 1.169 20 residues pruned to eliminate duplicates Z: 20 17.740 1.813 0.681 0.679 0.947 0.684 CB 1.195 20 residues pruned to eliminate duplicates Z: 9 3.921 1.839 0.099 0.289 0.750 0.375 CB 1.160 4 residues pruned to eliminate duplicates 1024 residues left after pruning, divided into chains as follows: A: 11 B: 6 C: 26 D: 13 E: 11 F: 13 G: 8 H: 34 I: 21 J: 40 K: 10 L: 20 M: 12 N: 7 O: 57 P: 16 Q: 28 R: 14 S: 33 T: 9 U: 17 V: 22 W: 11 X: 17 Y: 19 Z: 24 Z: 37 Z: 34 Z: 30 Z: 11 Z: 9 Z: 31 Z: 31 Z: 23 Z: 37 Z: 27 Z: 17 Z: 21 Z: 24 Z: 20 Z: 13 Z: 13 Z: 9 Z: 23 Z: 23 Z: 8 Z: 27 Z: 34 Z: 8 Z: 15 CC for partial structure against native data = 32.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.411, Connect. = 0.661 for dens.mod. cycle 1 = 0.300, Contrast = 0.472, Connect. = 0.686 for dens.mod. cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.716 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.719 for dens.mod. cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.722 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.725 for dens.mod. cycle 6 = 0.300, Contrast = 0.573, Connect. = 0.727 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.729 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.730 for dens.mod. cycle 9 = 0.300, Contrast = 0.580, Connect. = 0.731 for dens.mod. cycle 10 TimeTaking 152.03