null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:13:12 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: ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.ins Phases from ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.phi Native data from ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.hkl Listing output to ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.lst Phases output to ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.phs Poly-Ala trace output to ./1vqy-2.4-parrot-hancs/1vqy-2.4-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 38308 Reflections read from file ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.phi 38308 Reflections read from file ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.hkl 38308 Unique data, highest resolution = 2.400 Angstroms Anisotropic scaling: intensities multiplied by -0.000143h^2 +0.000331k^2 -0.000145l^2 +0.000000kl +0.000000hl +0.000000hk 601 Reflections with d > 2.600 and 0 in range 2.600 > d > 2.400 added Density sharpening factor set to 0.15 Fourier grid = 128 x 256 x 42 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|> = 0.719 = 0.300, Contrast = 0.361, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.417, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.488, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.730 for dens.mod. cycle 4 = 0.300, Contrast = 0.521, Connect. = 0.735 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.739 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.742 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.744 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.746 for dens.mod. cycle 9 = 0.300, Contrast = 0.545, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3517 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 839 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 20.410 1.853 0.802 0.867 1.000 0.909 CA 1.348 B: 14 15.976 1.830 0.550 0.820 1.000 0.769 CB 1.183 C: 14 21.468 1.772 1.328 0.884 1.000 0.462 CB 1.043 D: 8 3.204 1.579 0.024 0.533 1.000 0.857 CB 0.725 E: 14 16.263 1.706 1.019 0.698 0.923 0.692 CB 1.184 F: 14 13.495 1.724 0.636 0.741 1.000 0.769 CB 1.070 G: 23 12.171 1.539 0.625 0.829 0.909 0.682 CB 0.859 H: 9 7.933 1.566 0.560 0.763 1.000 0.875 CB 0.909 I: 59 34.994 1.749 0.893 0.636 0.966 0.707 CB 1.265 J: 22 15.747 1.782 0.467 0.702 0.952 0.762 CB 1.148 K: 25 27.418 1.799 1.069 0.795 0.917 0.833 CB 1.267 23 residues pruned to eliminate duplicates L: 14 15.230 1.619 0.811 0.854 1.000 0.846 CB 1.064 14 residues pruned to eliminate duplicates M: 32 13.904 1.683 0.652 0.367 0.839 0.548 CA 1.235 13 residues pruned to eliminate duplicates N: 13 19.090 1.741 0.772 0.872 1.000 1.000 CA 1.302 O: 11 18.479 1.914 0.694 0.917 1.000 0.900 CA 1.272 11 residues pruned to eliminate duplicates P: 15 21.219 1.797 1.162 0.942 1.000 0.929 CB 1.012 Q: 14 17.704 1.838 0.680 0.926 1.000 0.923 CB 1.115 14 residues pruned to eliminate duplicates R: 13 12.298 1.689 0.680 0.639 0.917 0.750 CA 1.199 13 residues pruned to eliminate duplicates S: 23 11.730 1.639 0.671 0.413 0.955 0.636 CB 1.048 T: 65 27.778 1.734 0.698 0.527 0.922 0.609 CB 1.246 64 residues pruned to eliminate duplicates U: 26 24.403 1.754 1.052 0.679 0.960 0.600 CB 1.198 V: 14 19.600 1.769 0.916 0.870 1.000 0.923 CB 1.170 14 residues pruned to eliminate duplicates W: 11 21.669 1.878 0.900 0.783 1.000 0.700 CB 1.498 X: 14 13.866 1.672 0.910 0.574 0.923 0.692 N 1.214 14 residues pruned to eliminate duplicates Y: 15 14.067 1.724 0.462 0.897 0.929 0.857 CB 1.150 15 residues pruned to eliminate duplicates Z: 14 18.647 1.834 0.838 0.929 1.000 1.000 CB 1.074 14 residues pruned to eliminate duplicates Z: 15 13.084 1.715 0.538 0.760 0.857 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 23 21.766 1.698 0.799 0.840 1.000 0.727 CB 1.133 14 residues pruned to eliminate duplicates Z: 16 11.075 1.678 0.555 0.505 0.867 0.600 CB 1.258 Z: 11 20.822 1.865 0.787 0.865 1.000 1.000 CB 1.447 12 residues pruned to eliminate duplicates Z: 16 15.575 1.606 0.523 0.793 1.000 0.600 CA 1.271 Z: 31 23.010 1.725 0.906 0.691 0.867 0.733 CB 1.238 31 residues pruned to eliminate duplicates Z: 19 16.191 1.831 0.670 0.601 0.889 0.667 CB 1.275 18 residues pruned to eliminate duplicates Z: 17 15.663 1.771 0.394 0.632 1.000 0.812 CA 1.402 Z: 23 18.757 1.632 0.646 0.826 0.955 0.591 CB 1.177 Z: 39 15.882 1.740 0.608 0.451 0.868 0.658 CB 1.115 22 residues pruned to eliminate duplicates Z: 12 12.242 1.663 0.693 0.701 0.909 0.818 CB 1.201 Z: 26 18.696 1.820 0.645 0.632 0.960 0.760 CB 1.149 38 residues pruned to eliminate duplicates Z: 64 34.082 1.769 0.888 0.611 0.952 0.714 CB 1.214 65 residues pruned to eliminate duplicates Z: 13 20.730 1.864 1.052 0.797 1.000 0.833 CA 1.206 13 residues pruned to eliminate duplicates Z: 15 16.091 1.667 0.879 0.671 0.929 0.786 CB 1.263 13 residues pruned to eliminate duplicates Z: 13 14.503 1.705 0.594 0.864 1.000 0.833 CB 1.129 15 residues pruned to eliminate duplicates Z: 10 12.337 1.749 0.416 0.820 0.889 0.667 N 1.414 Z: 13 11.331 1.619 0.474 0.802 1.000 0.583 CB 1.053 Z: 21 14.932 1.698 0.747 0.507 0.900 0.650 CB 1.242 21 residues pruned to eliminate duplicates Z: 13 18.564 1.716 0.760 0.847 1.000 0.750 CB 1.317 12 residues pruned to eliminate duplicates Z: 13 15.225 1.881 0.596 0.802 0.917 0.833 CB 1.227 13 residues pruned to eliminate duplicates Z: 36 24.185 1.747 0.773 0.568 0.943 0.629 CB 1.311 Z: 13 19.720 1.854 0.863 0.861 1.000 0.833 CB 1.211 13 residues pruned to eliminate duplicates Z: 14 11.771 1.687 0.849 0.472 0.923 0.769 CA 1.167 Z: 16 13.329 1.773 0.707 0.498 0.933 0.867 CA 1.221 16 residues pruned to eliminate duplicates Z: 13 11.602 1.666 0.767 0.771 0.833 0.667 CB 1.074 13 residues pruned to eliminate duplicates Z: 9 8.178 1.684 0.728 0.818 0.875 0.875 CB 0.861 Z: 16 13.128 1.731 0.380 0.858 1.000 0.533 CB 1.045 16 residues pruned to eliminate duplicates Z: 63 27.638 1.732 0.818 0.508 0.919 0.613 CB 1.203 63 residues pruned to eliminate duplicates Z: 16 13.277 1.700 0.477 0.875 0.933 0.600 CB 1.064 16 residues pruned to eliminate duplicates Z: 33 14.341 1.638 0.850 0.522 0.812 0.625 CB 1.008 14 residues pruned to eliminate duplicates Z: 12 16.764 1.765 0.878 0.796 0.909 0.909 CA 1.294 Z: 12 16.602 1.753 0.900 0.683 0.909 0.909 CA 1.398 12 residues pruned to eliminate duplicates Z: 10 15.497 1.740 0.801 0.722 1.000 0.667 CA 1.349 10 residues pruned to eliminate duplicates Z: 13 13.066 1.790 0.177 0.936 1.000 1.000 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 13.146 1.580 0.685 0.918 1.000 0.933 CB 0.899 Z: 26 21.637 1.757 0.893 0.670 0.920 0.680 CB 1.209 26 residues pruned to eliminate duplicates Z: 16 15.565 1.679 0.626 0.774 0.933 0.533 CA 1.238 10 residues pruned to eliminate duplicates Z: 10 10.750 1.753 0.665 0.702 0.889 0.444 CB 1.149 13 residues pruned to eliminate duplicates Z: 21 19.722 1.675 0.967 0.767 0.950 0.600 CB 1.111 13 residues pruned to eliminate duplicates Z: 14 14.593 1.632 0.825 0.813 0.923 0.846 CA 1.122 16 residues pruned to eliminate duplicates Z: 15 10.258 1.564 0.521 0.748 0.857 0.571 CA 1.077 7 residues pruned to eliminate duplicates Z: 8 12.313 1.680 1.103 0.683 0.857 0.714 CB 1.299 Z: 63 34.273 1.818 0.785 0.534 0.968 0.629 CB 1.341 46 residues pruned to eliminate duplicates Z: 6 3.413 1.787 1.226 0.331 1.000 0.600 CB 0.462 Z: 94 34.631 1.745 0.810 0.603 0.925 0.613 CB 1.115 51 residues pruned to eliminate duplicates Z: 7 2.462 1.475 0.163 0.370 0.667 0.500 N 1.010 Z: 13 15.707 1.687 0.966 0.729 0.917 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 14 16.057 1.598 0.988 0.816 0.923 0.615 CA 1.155 13 residues pruned to eliminate duplicates Z: 20 11.430 1.747 0.624 0.420 0.895 0.579 CA 1.123 20 residues pruned to eliminate duplicates Z: 23 19.064 1.635 0.560 0.827 1.000 0.636 CB 1.201 23 residues pruned to eliminate duplicates Z: 12 14.675 1.688 0.784 0.620 0.909 0.727 CB 1.443 12 residues pruned to eliminate duplicates Z: 9 6.685 1.565 0.614 0.439 0.750 0.500 CB 1.329 Z: 16 16.055 1.719 0.524 0.888 1.000 0.600 CB 1.140 16 residues pruned to eliminate duplicates Z: 14 14.602 1.582 0.726 0.870 1.000 0.769 CB 1.083 Z: 15 10.362 1.564 0.370 0.859 1.000 0.857 CB 0.951 15 residues pruned to eliminate duplicates Z: 12 9.035 1.634 0.469 0.634 0.909 0.818 CB 1.101 12 residues pruned to eliminate duplicates Z: 14 24.126 1.736 0.978 0.829 1.000 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 8 10.696 1.814 0.829 0.729 0.857 0.857 CB 1.157 Z: 13 9.939 1.640 0.791 0.555 0.833 0.667 CA 1.111 13 residues pruned to eliminate duplicates Z: 43 22.109 1.684 0.611 0.653 0.976 0.643 CB 1.118 24 residues pruned to eliminate duplicates Z: 11 7.929 1.733 0.063 0.922 1.000 0.900 CB 0.957 11 residues pruned to eliminate duplicates Z: 25 17.264 1.751 0.580 0.587 0.917 0.833 CB 1.278 25 residues pruned to eliminate duplicates Z: 15 15.823 1.828 0.820 0.617 1.000 0.714 CB 1.137 15 residues pruned to eliminate duplicates Z: 13 16.863 1.759 0.810 0.914 0.917 0.917 CA 1.180 13 residues pruned to eliminate duplicates Z: 6 5.630 1.763 0.803 0.387 1.000 0.600 CB 0.893 Z: 13 15.243 1.695 0.477 0.856 1.000 0.833 CB 1.297 14 residues pruned to eliminate duplicates Z: 9 13.515 1.757 0.754 0.835 0.875 0.875 N 1.327 9 residues pruned to eliminate duplicates Z: 24 14.846 1.543 0.497 0.746 0.957 0.609 CA 1.125 23 residues pruned to eliminate duplicates Z: 22 17.485 1.814 0.551 0.482 1.000 0.667 CA 1.381 6 residues pruned to eliminate duplicates Z: 64 38.381 1.828 0.920 0.606 0.968 0.714 CB 1.287 63 residues pruned to eliminate duplicates Z: 14 11.107 1.648 0.353 0.784 0.923 0.538 CB 1.165 14 residues pruned to eliminate duplicates Z: 15 17.324 1.793 0.805 0.886 1.000 0.857 CB 1.032 15 residues pruned to eliminate duplicates Z: 17 15.282 1.643 0.633 0.852 0.938 0.750 CB 1.124 17 residues pruned to eliminate duplicates Z: 12 18.387 1.782 0.710 0.884 1.000 0.909 CB 1.314 12 residues pruned to eliminate duplicates Z: 15 5.201 1.593 0.721 0.365 0.786 0.500 CB 0.746 Z: 15 15.983 1.680 1.042 0.843 0.929 0.857 CB 0.998 15 residues pruned to eliminate duplicates Z: 13 4.497 1.638 0.477 0.439 0.833 0.667 CB 0.686 Z: 34 13.550 1.647 0.566 0.515 0.879 0.545 CB 1.026 34 residues pruned to eliminate duplicates Z: 9 6.025 1.547 0.215 0.659 0.875 0.625 N 1.117 9 residues pruned to eliminate duplicates Z: 14 10.599 1.584 0.704 0.570 0.846 0.769 CA 1.203 14 residues pruned to eliminate duplicates Z: 16 17.110 1.667 0.796 0.867 1.000 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 14 17.320 1.697 0.942 0.835 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 14 15.411 1.772 0.388 0.840 1.000 0.692 CA 1.297 14 residues pruned to eliminate duplicates Z: 13 14.036 1.713 1.065 0.715 0.833 0.750 CB 1.132 13 residues pruned to eliminate duplicates Z: 42 21.422 1.664 0.605 0.629 1.000 0.610 CB 1.110 42 residues pruned to eliminate duplicates Z: 12 9.181 1.713 0.212 0.893 1.000 0.818 CB 0.957 12 residues pruned to eliminate duplicates Z: 13 14.703 1.680 1.035 0.626 0.917 0.833 CB 1.203 13 residues pruned to eliminate duplicates Z: 25 12.296 1.616 0.490 0.544 0.875 0.542 CB 1.141 21 residues pruned to eliminate duplicates Z: 9 4.842 1.529 0.617 0.498 0.750 0.500 CB 0.925 9 residues pruned to eliminate duplicates Z: 22 14.921 1.644 0.496 0.807 0.952 0.667 CB 1.064 22 residues pruned to eliminate duplicates Z: 13 10.477 1.620 0.552 0.525 1.000 0.583 CB 1.174 14 residues pruned to eliminate duplicates Z: 42 20.216 1.751 0.704 0.535 0.902 0.732 CB 1.133 42 residues pruned to eliminate duplicates Z: 7 8.190 1.653 0.216 0.765 1.000 0.833 CB 1.315 Z: 9 19.565 1.799 0.932 0.894 1.000 1.000 CA 1.427 9 residues pruned to eliminate duplicates Z: 7 4.469 1.403 0.510 0.422 1.000 0.333 N 0.933 Z: 12 16.173 1.594 0.820 0.814 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 8 15.103 1.851 1.202 0.887 1.000 1.000 CA 1.010 8 residues pruned to eliminate duplicates Z: 13 16.759 1.833 0.777 0.879 1.000 0.917 CB 1.078 13 residues pruned to eliminate duplicates Z: 11 15.605 1.641 0.934 0.661 1.000 0.800 CB 1.339 11 residues pruned to eliminate duplicates Z: 14 15.398 1.764 0.664 0.788 0.923 0.769 CA 1.224 14 residues pruned to eliminate duplicates Z: 15 9.728 1.666 0.192 0.864 1.000 0.857 CB 0.960 15 residues pruned to eliminate duplicates Z: 8 6.147 1.660 0.569 0.497 0.714 0.571 N 1.252 Z: 19 11.500 1.756 0.581 0.429 0.889 0.667 CA 1.183 14 residues pruned to eliminate duplicates Z: 12 16.875 1.771 0.704 0.906 0.909 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 12 19.939 1.886 1.127 0.755 0.818 0.818 CA 1.461 12 residues pruned to eliminate duplicates Z: 14 10.084 1.680 0.296 0.916 1.000 0.846 CB 0.907 14 residues pruned to eliminate duplicates Z: 11 16.786 1.802 0.767 0.936 1.000 1.000 CB 1.161 11 residues pruned to eliminate duplicates Z: 13 16.586 1.771 0.805 0.810 1.000 0.833 CB 1.143 13 residues pruned to eliminate duplicates Z: 15 14.175 1.570 0.792 0.778 0.929 0.571 CB 1.135 15 residues pruned to eliminate duplicates Z: 9 6.082 1.674 0.298 0.378 1.000 0.875 CB 1.127 9 residues pruned to eliminate duplicates Z: 7 6.514 1.535 0.446 0.830 0.833 0.833 CB 1.081 Z: 16 10.540 1.529 0.303 0.830 1.000 0.800 CB 1.027 16 residues pruned to eliminate duplicates Z: 14 13.023 1.823 0.517 0.498 1.000 0.692 CB 1.310 14 residues pruned to eliminate duplicates Z: 13 22.225 1.721 1.029 0.878 1.000 1.000 CB 1.333 13 residues pruned to eliminate duplicates Z: 11 10.933 1.645 0.479 0.794 0.900 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 14 19.890 1.692 0.835 0.853 1.000 0.846 CA 1.313 14 residues pruned to eliminate duplicates Z: 13 15.169 1.675 0.650 0.844 1.000 0.833 CB 1.179 12 residues pruned to eliminate duplicates Z: 14 17.239 1.686 0.732 0.870 0.923 0.923 CA 1.295 14 residues pruned to eliminate duplicates Z: 14 12.972 1.704 0.508 0.906 1.000 1.000 CB 0.996 14 residues pruned to eliminate duplicates Z: 16 12.208 1.622 0.654 0.779 0.933 0.600 CB 0.984 9 residues pruned to eliminate duplicates Z: 24 17.385 1.773 0.614 0.592 0.913 0.609 CB 1.271 24 residues pruned to eliminate duplicates Z: 15 6.535 1.580 0.722 0.332 0.714 0.500 CB 1.081 12 residues pruned to eliminate duplicates Z: 17 18.397 1.627 0.568 0.849 1.000 0.812 N 1.337 17 residues pruned to eliminate duplicates Z: 12 13.653 1.553 0.775 0.843 1.000 0.727 CB 1.112 11 residues pruned to eliminate duplicates Z: 25 15.974 1.774 0.995 0.431 0.875 0.750 CB 1.131 Z: 13 12.769 1.780 0.857 0.562 1.000 0.750 CB 1.051 14 residues pruned to eliminate duplicates Z: 14 16.918 1.637 1.203 0.749 0.923 0.769 CA 1.128 14 residues pruned to eliminate duplicates Z: 26 15.519 1.663 0.609 0.667 0.880 0.760 CA 1.129 14 residues pruned to eliminate duplicates Z: 12 12.788 1.575 0.638 0.860 0.909 0.636 CA 1.208 11 residues pruned to eliminate duplicates Z: 10 5.693 1.381 0.219 0.837 0.889 0.444 CB 0.948 Z: 37 18.180 1.669 0.534 0.673 0.972 0.611 CB 1.037 37 residues pruned to eliminate duplicates Z: 12 22.407 1.786 1.011 0.844 1.000 0.909 CB 1.400 12 residues pruned to eliminate duplicates Z: 19 18.004 1.707 0.758 0.638 0.944 0.722 CA 1.315 17 residues pruned to eliminate duplicates Z: 10 14.553 1.674 0.938 0.808 1.000 0.889 CB 1.143 11 residues pruned to eliminate duplicates Z: 26 14.454 1.681 0.438 0.667 0.960 0.800 CB 1.068 26 residues pruned to eliminate duplicates Z: 18 14.597 1.688 0.665 0.602 0.941 0.765 CA 1.215 Z: 6 4.565 1.513 0.379 0.570 0.800 0.800 N 1.143 Z: 21 11.187 1.578 0.797 0.492 0.800 0.600 CB 1.111 Z: 9 7.400 1.582 0.854 0.511 1.000 0.500 CB 0.882 7 residues pruned to eliminate duplicates Z: 12 7.776 1.289 0.280 0.853 1.000 0.545 CB 1.050 12 residues pruned to eliminate duplicates Z: 10 5.906 1.552 0.496 0.333 1.000 0.444 CB 1.018 Z: 14 13.573 1.692 0.485 0.918 1.000 0.923 CB 1.057 14 residues pruned to eliminate duplicates Z: 6 3.955 1.317 0.103 0.802 1.000 0.800 CB 0.935 6 residues pruned to eliminate duplicates Z: 9 5.821 1.579 0.528 0.659 0.750 0.625 N 0.981 Z: 15 11.703 1.660 0.609 0.553 1.000 0.786 CB 1.113 15 residues pruned to eliminate duplicates Z: 7 3.607 1.584 0.224 0.349 0.833 0.667 CA 1.074 7 residues pruned to eliminate duplicates Z: 14 15.075 1.658 0.658 0.818 0.923 0.615 CB 1.249 14 residues pruned to eliminate duplicates Z: 8 7.496 1.723 0.127 0.608 1.000 0.857 CA 1.317 Z: 7 4.177 1.586 0.530 0.389 0.667 0.333 CB 1.186 Z: 64 32.984 1.823 0.768 0.565 0.952 0.730 CB 1.271 64 residues pruned to eliminate duplicates Z: 13 14.738 1.713 0.556 0.810 1.000 0.750 CA 1.219 13 residues pruned to eliminate duplicates Z: 16 10.656 1.732 0.297 0.833 0.867 0.600 CB 1.060 16 residues pruned to eliminate duplicates Z: 44 26.029 1.805 0.627 0.634 0.953 0.674 CB 1.249 44 residues pruned to eliminate duplicates Z: 14 14.624 1.597 0.849 0.816 0.923 0.769 CA 1.131 14 residues pruned to eliminate duplicates Z: 7 2.928 1.352 0.154 0.409 0.833 0.500 N 1.012 Z: 6 6.155 1.537 0.551 0.829 1.000 1.000 CB 0.869 Z: 13 6.238 1.603 0.179 0.396 0.833 0.667 CB 1.277 8 residues pruned to eliminate duplicates Z: 10 5.840 1.617 0.676 0.265 1.000 0.333 CB 0.939 Z: 13 13.494 1.635 0.384 0.900 1.000 1.000 CA 1.229 13 residues pruned to eliminate duplicates Z: 13 6.660 1.648 0.400 0.499 0.750 0.583 CB 1.111 Z: 9 10.691 1.754 0.602 0.784 1.000 0.625 CB 1.048 9 residues pruned to eliminate duplicates Z: 16 11.800 1.597 0.289 0.823 1.000 0.667 CB 1.118 16 residues pruned to eliminate duplicates Z: 16 17.186 1.630 1.129 0.867 0.933 0.533 CB 1.002 16 residues pruned to eliminate duplicates Z: 16 8.623 1.505 0.695 0.440 0.867 0.733 N 1.072 16 residues pruned to eliminate duplicates Z: 9 8.372 1.574 0.242 0.795 1.000 0.500 CB 1.170 10 residues pruned to eliminate duplicates Z: 14 7.750 1.598 1.151 0.431 0.923 0.692 CB 0.728 6 residues pruned to eliminate duplicates Z: 6 5.311 1.290 0.641 0.761 1.000 0.800 N 0.890 5 residues pruned to eliminate duplicates Z: 14 12.209 1.599 0.460 0.818 1.000 0.846 CA 1.101 14 residues pruned to eliminate duplicates Z: 55 37.428 1.832 0.879 0.647 0.981 0.722 CB 1.315 55 residues pruned to eliminate duplicates Z: 15 16.366 1.761 0.591 0.929 1.000 0.786 CB 1.092 15 residues pruned to eliminate duplicates Z: 12 12.069 1.812 0.353 0.884 1.000 1.000 CA 1.073 12 residues pruned to eliminate duplicates Z: 17 14.920 1.569 0.611 0.893 0.938 0.625 CB 1.130 16 residues pruned to eliminate duplicates Z: 12 8.138 1.439 0.938 0.722 0.909 0.727 CB 0.792 12 residues pruned to eliminate duplicates 6 0.110 1.553 0.880 0.886 1.000 1.000 CB 0.012 ? Z: 45 18.322 1.669 0.457 0.578 0.932 0.636 CB 1.130 57 residues pruned to eliminate duplicates Z: 14 10.938 1.734 0.645 0.527 0.923 0.692 CA 1.121 14 residues pruned to eliminate duplicates Z: 7 2.297 1.409 0.540 0.649 0.333 0.333 O 1.127 7 residues pruned to eliminate duplicates Z: 6 7.707 1.744 0.246 0.790 1.000 1.000 CB 1.229 Z: 65 34.885 1.784 0.863 0.594 0.922 0.781 CB 1.301 65 residues pruned to eliminate duplicates Z: 7 6.913 1.804 -0.070 0.889 1.000 1.000 CB 1.212 7 residues pruned to eliminate duplicates Z: 12 22.065 1.820 1.126 0.930 1.000 0.909 CA 1.202 12 residues pruned to eliminate duplicates Z: 11 9.949 1.598 0.361 0.728 1.000 0.700 CA 1.178 11 residues pruned to eliminate duplicates Z: 11 17.286 1.800 0.712 0.917 1.000 0.900 CB 1.252 11 residues pruned to eliminate duplicates Z: 13 11.654 1.748 0.665 0.825 0.917 0.500 CB 0.952 13 residues pruned to eliminate duplicates Z: 16 11.622 1.669 0.290 0.820 1.000 0.733 CB 1.056 16 residues pruned to eliminate duplicates Z: 15 16.116 1.671 0.521 0.882 1.000 0.857 CB 1.226 15 residues pruned to eliminate duplicates Z: 11 13.086 1.662 0.829 0.719 1.000 0.900 CB 1.117 11 residues pruned to eliminate duplicates 7 1.839 1.586 0.235 0.281 0.833 0.500 CB 0.589 ? Z: 11 10.395 1.625 0.683 0.834 0.900 0.800 CB 1.001 10 residues pruned to eliminate duplicates Z: 7 3.656 1.576 0.309 0.391 0.833 0.500 CB 0.974 Z: 16 15.415 1.722 0.505 0.814 0.933 0.600 CB 1.252 16 residues pruned to eliminate duplicates Z: 14 9.774 1.659 0.802 0.561 0.846 0.769 CB 1.010 14 residues pruned to eliminate duplicates Z: 38 17.417 1.675 0.670 0.510 0.919 0.676 CB 1.102 43 residues pruned to eliminate duplicates Z: 11 10.651 1.554 0.743 0.838 0.900 0.700 CA 1.032 7 residues pruned to eliminate duplicates Z: 24 18.948 1.802 0.635 0.498 0.957 0.652 CB 1.405 24 residues pruned to eliminate duplicates Z: 14 19.536 1.854 0.727 0.954 1.000 1.000 CB 1.164 14 residues pruned to eliminate duplicates Z: 16 19.943 1.721 1.141 0.909 1.000 0.867 CB 0.991 16 residues pruned to eliminate duplicates Z: 30 16.188 1.658 0.552 0.646 0.897 0.759 CB 1.137 30 residues pruned to eliminate duplicates Z: 11 6.915 1.555 0.853 0.479 0.800 0.600 CA 0.969 7 residues pruned to eliminate duplicates Z: 18 12.467 1.666 0.691 0.514 0.882 0.588 CB 1.200 18 residues pruned to eliminate duplicates Z: 12 16.940 1.914 0.689 0.836 1.000 0.818 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 3.305 1.511 0.689 0.378 0.800 0.400 CA 0.825 Z: 11 12.751 1.733 0.656 0.755 1.000 0.900 CA 1.119 11 residues pruned to eliminate duplicates Z: 16 7.202 1.499 0.368 0.480 0.867 0.400 CB 1.067 Z: 7 4.428 1.564 0.620 0.302 1.000 0.333 CB 0.889 Z: 9 7.384 1.546 0.531 0.880 1.000 0.875 CB 0.800 9 residues pruned to eliminate duplicates Z: 9 12.134 1.696 0.504 0.838 1.000 0.625 CB 1.257 9 residues pruned to eliminate duplicates Z: 8 5.100 1.591 0.255 0.572 0.857 0.429 CB 1.052 Z: 8 6.953 1.596 0.321 0.792 0.857 0.571 CA 1.125 8 residues pruned to eliminate duplicates Z: 10 6.047 1.456 0.160 0.834 0.889 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 41 27.435 1.742 0.743 0.627 0.975 0.650 CA 1.301 41 residues pruned to eliminate duplicates Z: 15 13.758 1.678 0.545 0.780 0.929 0.714 CA 1.193 15 residues pruned to eliminate duplicates Z: 17 17.059 1.809 0.608 0.579 1.000 0.812 CA 1.358 17 residues pruned to eliminate duplicates Z: 24 13.488 1.546 0.823 0.820 0.913 0.522 CB 0.828 25 residues pruned to eliminate duplicates Z: 16 13.845 1.760 0.805 0.602 0.800 0.667 CB 1.276 14 residues pruned to eliminate duplicates Z: 9 2.815 1.543 0.484 0.517 0.875 0.875 CB 0.488 Z: 7 6.791 1.590 0.544 0.783 1.000 0.667 CA 0.880 7 residues pruned to eliminate duplicates Z: 53 25.562 1.726 0.739 0.577 0.981 0.635 CB 1.118 42 residues pruned to eliminate duplicates Z: 9 4.597 1.512 0.774 0.546 0.750 0.750 N 0.772 Z: 13 15.518 1.769 0.828 0.893 1.000 0.833 CB 0.994 13 residues pruned to eliminate duplicates Z: 20 14.792 1.738 0.971 0.510 0.895 0.789 CB 1.096 19 residues pruned to eliminate duplicates Z: 12 4.564 1.454 0.637 0.305 0.636 0.364 N 1.129 Z: 21 14.058 1.628 0.690 0.815 0.900 0.650 CB 0.965 21 residues pruned to eliminate duplicates Z: 24 15.197 1.752 0.387 0.593 0.913 0.783 CB 1.308 24 residues pruned to eliminate duplicates Z: 66 36.484 1.811 0.876 0.558 0.954 0.677 CB 1.320 66 residues pruned to eliminate duplicates Z: 15 10.381 1.479 0.712 0.806 0.929 0.643 CB 0.904 15 residues pruned to eliminate duplicates Z: 16 13.504 1.704 0.747 0.410 1.000 0.467 CA 1.287 16 residues pruned to eliminate duplicates Z: 40 31.344 1.766 0.749 0.740 1.000 0.667 CB 1.310 40 residues pruned to eliminate duplicates Z: 8 9.578 1.641 0.907 0.618 0.857 0.571 CA 1.207 6 residues pruned to eliminate duplicates Z: 14 12.426 1.731 0.543 0.892 1.000 0.923 CB 0.927 14 residues pruned to eliminate duplicates Z: 14 12.726 1.707 0.692 0.822 0.923 0.462 CB 1.001 14 residues pruned to eliminate duplicates Z: 10 9.575 1.568 0.613 0.791 1.000 0.556 CB 0.978 10 residues pruned to eliminate duplicates Z: 30 17.857 1.687 0.806 0.487 0.897 0.586 CB 1.230 30 residues pruned to eliminate duplicates Z: 10 9.185 1.717 0.328 0.902 1.000 1.000 CB 0.958 10 residues pruned to eliminate duplicates Z: 9 4.644 1.719 0.142 0.386 0.875 0.625 CB 1.079 9 residues pruned to eliminate duplicates Z: 17 12.660 1.570 0.576 0.797 0.812 0.562 N 1.214 17 residues pruned to eliminate duplicates Z: 15 15.500 1.600 1.001 0.830 1.000 0.786 CB 0.973 15 residues pruned to eliminate duplicates Z: 16 14.828 1.720 0.354 0.852 1.000 0.533 CB 1.216 16 residues pruned to eliminate duplicates Z: 11 19.088 1.807 0.881 0.842 1.000 1.000 CB 1.323 11 residues pruned to eliminate duplicates Z: 14 12.387 1.553 0.679 0.854 1.000 0.923 CA 0.973 14 residues pruned to eliminate duplicates Z: 6 5.054 1.623 0.540 0.454 0.800 0.400 C 1.184 Z: 13 13.939 1.661 0.843 0.934 1.000 1.000 CB 0.917 13 residues pruned to eliminate duplicates Z: 10 11.243 1.661 0.626 0.888 0.889 0.889 CB 1.124 10 residues pruned to eliminate duplicates Z: 14 15.262 1.766 0.486 0.839 1.000 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 7 3.922 1.409 0.068 0.497 1.000 0.500 N 1.067 7 residues pruned to eliminate duplicates Z: 11 8.599 1.520 1.086 0.852 0.900 0.800 CB 0.705 11 residues pruned to eliminate duplicates Z: 15 15.703 1.757 0.385 0.838 1.000 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 60 33.703 1.770 0.832 0.628 0.949 0.712 CB 1.264 60 residues pruned to eliminate duplicates Z: 11 12.361 1.669 0.898 0.764 0.900 0.900 CB 1.085 5 residues pruned to eliminate duplicates Z: 13 15.988 1.589 0.904 0.845 1.000 0.750 CA 1.135 13 residues pruned to eliminate duplicates Z: 8 5.457 1.681 0.040 0.766 0.714 0.571 CB 1.304 8 residues pruned to eliminate duplicates Z: 12 8.522 1.617 0.198 0.776 0.909 0.636 CA 1.144 12 residues pruned to eliminate duplicates Z: 18 15.980 1.562 0.533 0.837 1.000 0.588 CB 1.210 16 residues pruned to eliminate duplicates Z: 24 23.041 1.642 0.930 0.821 0.957 0.609 CA 1.201 24 residues pruned to eliminate duplicates Z: 10 10.552 1.595 0.682 0.758 0.889 0.778 N 1.173 Z: 25 19.596 1.730 0.749 0.697 0.917 0.792 CA 1.204 25 residues pruned to eliminate duplicates Z: 11 17.813 1.753 1.017 0.792 0.900 0.900 CB 1.369 18 residues pruned to eliminate duplicates Z: 33 16.576 1.643 0.522 0.581 0.938 0.656 CB 1.156 33 residues pruned to eliminate duplicates Z: 12 17.082 1.795 0.722 0.784 0.909 0.727 CB 1.428 12 residues pruned to eliminate duplicates Z: 14 18.072 1.736 0.922 0.794 0.923 0.846 CA 1.258 14 residues pruned to eliminate duplicates Z: 24 16.757 1.612 0.501 0.849 1.000 0.696 CB 1.070 24 residues pruned to eliminate duplicates Z: 29 23.827 1.792 0.846 0.688 1.000 0.750 CB 1.146 29 residues pruned to eliminate duplicates Z: 44 24.146 1.661 0.723 0.659 1.000 0.767 CB 1.110 44 residues pruned to eliminate duplicates Z: 11 12.040 1.674 0.619 0.884 0.900 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 14 12.463 1.650 0.652 0.501 1.000 0.923 CA 1.266 14 residues pruned to eliminate duplicates Z: 9 4.581 1.458 -0.095 0.728 1.000 0.750 CB 0.999 Z: 10 26.216 1.834 1.351 0.868 1.000 1.000 N 1.482 11 residues pruned to eliminate duplicates Z: 6 5.129 1.662 -0.070 0.886 1.000 1.000 CB 1.070 Z: 13 16.140 1.677 0.780 0.815 1.000 0.917 CB 1.187 13 residues pruned to eliminate duplicates Z: 15 16.017 1.641 1.118 0.895 1.000 0.929 CB 0.883 15 residues pruned to eliminate duplicates Z: 14 19.990 1.735 0.979 0.850 1.000 0.846 CA 1.196 14 residues pruned to eliminate duplicates Z: 41 36.628 1.846 0.960 0.715 1.000 0.850 CB 1.317 41 residues pruned to eliminate duplicates Z: 10 13.027 1.747 0.696 0.852 0.889 0.667 CB 1.219 10 residues pruned to eliminate duplicates Z: 51 24.922 1.706 0.815 0.580 0.900 0.620 CB 1.171 100 residues pruned to eliminate duplicates Z: 15 14.374 1.733 0.410 0.818 1.000 0.786 CB 1.193 15 residues pruned to eliminate duplicates Z: 6 8.011 1.621 0.541 0.850 1.000 1.000 CB 1.062 6 residues pruned to eliminate duplicates Z: 10 9.286 1.762 0.515 0.798 1.000 0.778 CB 0.894 10 residues pruned to eliminate duplicates Z: 7 8.130 1.800 0.332 0.773 1.000 1.000 CB 1.088 7 residues pruned to eliminate duplicates Z: 11 8.479 1.560 0.811 0.404 0.900 0.600 N 1.166 11 residues pruned to eliminate duplicates Z: 6 3.680 1.346 0.662 0.506 0.800 0.800 O 0.914 Z: 15 8.813 1.512 0.492 0.825 0.857 0.500 CB 0.919 15 residues pruned to eliminate duplicates Z: 15 18.576 1.654 1.109 0.914 1.000 0.786 CB 1.007 15 residues pruned to eliminate duplicates Z: 18 11.201 1.553 0.385 0.839 0.882 0.706 CB 1.068 18 residues pruned to eliminate duplicates Z: 26 19.895 1.765 0.691 0.685 0.960 0.760 CA 1.172 26 residues pruned to eliminate duplicates Z: 9 7.157 1.559 0.364 0.822 0.875 0.875 CA 1.029 Z: 11 13.166 1.621 0.635 0.874 1.000 0.900 N 1.143 11 residues pruned to eliminate duplicates Z: 15 13.694 1.680 0.497 0.870 0.929 0.786 CB 1.144 15 residues pruned to eliminate duplicates Z: 15 9.626 1.646 0.312 0.850 0.857 0.857 CB 1.029 15 residues pruned to eliminate duplicates Z: 41 23.411 1.683 0.796 0.686 0.950 0.625 CB 1.087 41 residues pruned to eliminate duplicates Z: 7 3.788 1.521 0.356 0.547 0.667 0.500 N 1.075 Z: 6 4.358 1.369 0.236 0.736 1.000 0.800 CB 0.931 Z: 7 3.252 1.144 0.538 0.844 0.833 0.667 CB 0.673 7 residues pruned to eliminate duplicates Z: 9 12.984 1.751 0.662 0.730 1.000 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 16 17.023 1.681 0.634 0.889 1.000 0.467 CB 1.152 16 residues pruned to eliminate duplicates Z: 58 30.602 1.767 0.675 0.631 0.965 0.719 CA 1.255 58 residues pruned to eliminate duplicates Z: 33 22.129 1.767 0.642 0.566 0.969 0.719 CA 1.305 33 residues pruned to eliminate duplicates Z: 7 2.541 1.323 0.393 0.632 0.833 0.500 CB 0.597 7 residues pruned to eliminate duplicates Z: 15 13.126 1.620 0.594 0.863 0.929 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 14 14.432 1.654 0.943 0.761 0.769 0.538 N 1.283 14 residues pruned to eliminate duplicates Z: 9 3.358 1.547 0.324 0.369 0.750 0.375 CB 0.889 Z: 9 3.004 1.542 1.057 0.279 0.625 0.500 CB 0.688 Z: 11 6.030 1.378 0.705 0.787 0.800 0.500 CB 0.788 Z: 11 5.267 1.460 0.491 0.452 0.800 0.500 CB 1.004 Z: 15 15.251 1.630 0.604 0.764 1.000 0.786 CB 1.233 15 residues pruned to eliminate duplicates Z: 15 5.004 1.433 0.510 0.341 0.857 0.429 CB 0.857 12 residues pruned to eliminate duplicates Z: 7 5.525 1.720 0.074 0.768 1.000 1.000 CB 0.963 Z: 68 40.585 1.851 0.938 0.590 0.955 0.746 CB 1.327 81 residues pruned to eliminate duplicates Z: 12 19.301 1.836 0.745 0.773 1.000 0.909 CA 1.427 13 residues pruned to eliminate duplicates Z: 10 3.326 1.498 0.543 0.231 0.778 0.444 CB 0.844 Z: 17 13.040 1.741 0.582 0.546 0.875 0.750 CA 1.293 17 residues pruned to eliminate duplicates Z: 30 21.198 1.695 0.862 0.623 0.897 0.690 CB 1.239 30 residues pruned to eliminate duplicates Z: 14 15.505 1.759 0.798 0.728 0.923 0.769 CB 1.199 14 residues pruned to eliminate duplicates Z: 15 11.439 1.602 0.393 0.858 1.000 0.714 CB 1.009 14 residues pruned to eliminate duplicates Z: 10 9.236 1.523 0.675 0.887 0.889 0.778 CB 0.979 10 residues pruned to eliminate duplicates Z: 18 7.978 1.461 0.797 0.457 0.765 0.588 N 1.007 18 residues pruned to eliminate duplicates Z: 7 11.865 1.711 0.676 0.875 1.000 1.000 CA 1.229 Z: 7 5.172 1.679 0.652 0.445 0.667 0.500 N 1.208 Z: 15 4.561 1.457 0.433 0.241 0.786 0.500 N 1.003 Z: 8 8.510 1.728 0.922 0.414 0.857 0.571 CB 1.236 9 residues pruned to eliminate duplicates Z: 7 3.700 1.415 0.659 0.611 0.833 0.667 CB 0.695 Z: 19 8.684 1.555 0.562 0.416 0.833 0.556 CB 1.104 18 residues pruned to eliminate duplicates Z: 11 3.325 1.328 0.592 0.164 0.900 0.500 CB 0.832 Z: 7 5.934 1.618 0.586 0.571 0.833 0.833 CB 1.058 16 residues pruned to eliminate duplicates Z: 10 3.841 1.318 0.712 0.203 0.778 0.333 O 1.038 Z: 12 16.369 1.776 0.517 0.836 1.000 0.909 CA 1.372 12 residues pruned to eliminate duplicates Z: 12 12.453 1.798 0.717 0.717 0.909 0.909 CA 1.099 12 residues pruned to eliminate duplicates Z: 6 2.731 1.357 0.581 0.291 0.800 0.600 CB 0.900 6 residues pruned to eliminate duplicates Z: 8 3.442 1.602 -0.035 0.615 0.857 0.857 CB 0.881 8 residues pruned to eliminate duplicates Z: 14 9.919 1.684 0.220 0.871 1.000 0.769 CB 0.977 14 residues pruned to eliminate duplicates Z: 21 12.577 1.693 0.918 0.488 0.900 0.650 CB 0.974 21 residues pruned to eliminate duplicates Z: 7 6.286 1.551 1.118 0.423 0.833 0.667 CB 1.015 Z: 13 21.630 1.751 0.877 0.836 1.000 1.000 CA 1.422 13 residues pruned to eliminate duplicates Z: 41 22.734 1.670 0.903 0.506 0.950 0.675 CB 1.184 40 residues pruned to eliminate duplicates Z: 10 13.643 1.702 0.818 0.778 0.889 0.889 CB 1.294 11 residues pruned to eliminate duplicates Z: 14 17.136 1.667 1.146 0.838 0.923 0.615 CB 1.075 14 residues pruned to eliminate duplicates Z: 7 10.304 1.673 0.420 0.816 1.000 1.000 O 1.346 Z: 14 18.770 1.837 0.677 0.944 1.000 1.000 CB 1.171 14 residues pruned to eliminate duplicates Z: 9 10.765 1.603 0.669 0.821 0.875 0.625 CB 1.231 9 residues pruned to eliminate duplicates Z: 8 3.849 1.531 0.286 0.208 0.857 0.429 CB 1.217 Z: 7 3.389 1.496 0.053 0.366 0.833 0.333 O 1.217 4 residues pruned to eliminate duplicates Z: 17 15.867 1.713 0.580 0.779 0.938 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 8 3.644 1.403 0.353 0.464 0.714 0.714 CB 1.055 Z: 31 17.305 1.744 0.781 0.555 0.933 0.767 CA 1.033 33 residues pruned to eliminate duplicates Z: 31 19.866 1.683 0.543 0.658 0.967 0.767 CB 1.248 31 residues pruned to eliminate duplicates Z: 22 14.628 1.800 0.960 0.435 0.810 0.571 CB 1.196 22 residues pruned to eliminate duplicates Z: 56 30.777 1.786 0.717 0.625 0.982 0.764 CB 1.226 83 residues pruned to eliminate duplicates Z: 12 6.275 1.445 0.169 0.615 0.909 0.545 CB 1.106 Z: 20 14.056 1.687 0.660 0.494 0.842 0.684 N 1.376 20 residues pruned to eliminate duplicates Z: 13 12.480 1.767 0.504 0.572 0.917 0.750 CB 1.380 13 residues pruned to eliminate duplicates Z: 15 10.401 1.628 0.711 0.490 0.786 0.643 CB 1.284 15 residues pruned to eliminate duplicates Z: 11 9.158 1.472 0.694 0.915 1.000 0.900 CB 0.820 11 residues pruned to eliminate duplicates Z: 15 17.421 1.675 0.954 0.873 1.000 0.714 CB 1.036 15 residues pruned to eliminate duplicates Z: 20 15.515 1.729 0.563 0.693 0.947 0.684 CB 1.165 9 residues pruned to eliminate duplicates Z: 15 12.149 1.691 0.483 0.793 0.857 0.643 CB 1.168 15 residues pruned to eliminate duplicates Z: 7 2.129 1.550 0.212 0.246 0.667 0.333 N 0.930 Z: 12 4.058 1.442 0.245 0.329 0.909 0.545 CB 0.904 Z: 22 12.963 1.577 0.521 0.617 0.905 0.667 CB 1.167 22 residues pruned to eliminate duplicates Z: 10 15.655 1.703 0.953 0.781 0.889 0.889 CB 1.378 13 residues pruned to eliminate duplicates Z: 27 12.581 1.645 0.510 0.537 0.885 0.615 CB 1.083 27 residues pruned to eliminate duplicates Z: 9 13.922 1.651 1.033 0.914 1.000 0.875 CB 1.038 9 residues pruned to eliminate duplicates Z: 13 15.481 1.670 0.628 0.869 1.000 0.917 CB 1.201 13 residues pruned to eliminate duplicates Z: 21 13.841 1.699 0.627 0.437 0.850 0.600 CA 1.406 21 residues pruned to eliminate duplicates Z: 10 3.420 1.400 0.176 0.477 1.000 0.444 CB 0.709 10 residues pruned to eliminate duplicates Z: 15 7.650 1.521 0.418 0.529 0.786 0.571 N 1.173 15 residues pruned to eliminate duplicates Z: 13 21.105 1.871 0.830 0.855 1.000 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 69 33.456 1.745 0.758 0.593 0.956 0.662 CA 1.266 73 residues pruned to eliminate duplicates Z: 14 14.720 1.627 0.521 0.828 1.000 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 15 16.949 1.714 0.683 0.906 1.000 0.929 CB 1.117 15 residues pruned to eliminate duplicates Z: 7 5.298 1.426 0.670 0.642 1.000 0.667 CA 0.795 8 residues pruned to eliminate duplicates Z: 16 11.782 1.642 0.706 0.458 0.867 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 7 8.875 1.687 0.456 0.760 0.833 0.833 CB 1.405 7 residues pruned to eliminate duplicates Z: 13 11.736 1.704 0.432 0.919 1.000 1.000 CB 0.978 13 residues pruned to eliminate duplicates Z: 16 14.701 1.569 0.625 0.900 0.933 0.733 CB 1.139 24 residues pruned to eliminate duplicates Z: 6 6.595 1.557 0.304 0.752 1.000 0.800 N 1.160 Z: 15 10.933 1.679 0.360 0.853 0.929 0.643 CB 1.019 15 residues pruned to eliminate duplicates Z: 11 4.843 1.667 0.477 0.412 0.800 0.600 CB 0.853 7 residues pruned to eliminate duplicates Z: 40 27.678 1.731 0.778 0.652 0.923 0.718 CB 1.354 40 residues pruned to eliminate duplicates Z: 6 3.673 1.560 0.202 0.401 0.800 0.600 O 1.215 Z: 7 4.082 1.569 0.195 0.636 0.833 0.667 C 0.939 7 residues pruned to eliminate duplicates Z: 15 7.248 1.535 0.708 0.312 0.714 0.571 CB 1.275 5 residues pruned to eliminate duplicates Z: 16 8.387 1.659 0.652 0.301 0.933 0.600 CA 1.057 12 residues pruned to eliminate duplicates Z: 7 8.997 1.549 0.745 0.882 1.000 0.833 CB 0.984 Z: 13 16.397 1.748 0.911 0.798 0.917 0.750 CB 1.191 13 residues pruned to eliminate duplicates Z: 14 10.779 1.543 0.551 0.852 1.000 0.538 CB 0.924 7 residues pruned to eliminate duplicates Z: 15 12.984 1.594 0.615 0.781 0.857 0.571 CB 1.228 15 residues pruned to eliminate duplicates Z: 18 11.825 1.579 0.370 0.768 0.941 0.647 CB 1.111 18 residues pruned to eliminate duplicates Z: 8 3.666 1.481 0.498 0.318 0.714 0.286 CB 1.069 Z: 8 6.300 1.604 0.099 0.625 1.000 0.714 CB 1.200 Z: 19 13.633 1.715 0.999 0.493 0.889 0.667 CB 1.062 19 residues pruned to eliminate duplicates Z: 6 5.420 1.607 0.525 0.545 0.800 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 13 12.046 1.697 0.546 0.872 1.000 0.750 CB 0.966 13 residues pruned to eliminate duplicates Z: 9 4.445 1.582 0.087 0.506 0.750 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 9 6.185 1.696 0.642 0.246 0.875 0.500 CA 1.202 9 residues pruned to eliminate duplicates Z: 41 26.211 1.748 0.634 0.646 0.975 0.775 CB 1.299 41 residues pruned to eliminate duplicates Z: 24 11.636 1.660 0.558 0.408 0.870 0.609 CB 1.189 24 residues pruned to eliminate duplicates Z: 65 35.406 1.788 0.853 0.582 0.984 0.641 CB 1.254 65 residues pruned to eliminate duplicates Z: 14 11.420 1.543 0.898 0.759 0.923 0.308 CB 0.930 14 residues pruned to eliminate duplicates Z: 7 10.410 1.684 0.586 0.826 0.833 0.667 CB 1.440 7 residues pruned to eliminate duplicates Z: 18 5.391 1.384 0.360 0.371 0.882 0.471 CB 0.904 18 residues pruned to eliminate duplicates Z: 56 31.926 1.795 0.771 0.578 0.945 0.745 CB 1.329 56 residues pruned to eliminate duplicates Z: 14 13.465 1.721 0.858 0.908 1.000 0.846 CB 0.829 14 residues pruned to eliminate duplicates Z: 14 12.134 1.629 0.638 0.871 0.923 0.462 CB 0.997 14 residues pruned to eliminate duplicates Z: 11 3.459 1.410 0.224 0.276 0.800 0.300 CB 1.020 8 residues pruned to eliminate duplicates Z: 11 13.634 1.864 0.458 0.913 1.000 0.900 CA 1.123 11 residues pruned to eliminate duplicates Z: 8 11.135 1.798 0.428 0.844 1.000 0.857 CB 1.220 8 residues pruned to eliminate duplicates Z: 40 19.001 1.702 0.660 0.567 0.923 0.538 CB 1.093 40 residues pruned to eliminate duplicates Z: 7 6.106 1.581 0.282 0.667 1.000 0.667 CA 1.054 Z: 7 5.541 1.552 0.305 0.694 0.833 0.500 CB 1.123 7 residues pruned to eliminate duplicates Z: 38 16.149 1.628 0.606 0.575 0.919 0.622 CB 1.028 38 residues pruned to eliminate duplicates Z: 18 8.727 1.599 0.324 0.473 0.941 0.647 CB 1.092 18 residues pruned to eliminate duplicates Z: 13 12.110 1.641 0.721 0.811 0.917 0.583 CB 1.029 13 residues pruned to eliminate duplicates Z: 14 16.290 1.716 0.530 0.882 1.000 0.923 CB 1.245 14 residues pruned to eliminate duplicates Z: 9 4.345 1.543 0.383 0.377 0.750 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 28 14.023 1.556 0.542 0.712 0.926 0.667 CB 1.003 28 residues pruned to eliminate duplicates Z: 11 13.423 1.566 0.843 0.804 1.000 0.500 N 1.128 11 residues pruned to eliminate duplicates Z: 17 11.260 1.556 0.435 0.797 0.938 0.500 CB 1.037 17 residues pruned to eliminate duplicates Z: 17 9.454 1.543 0.389 0.883 0.938 0.750 CB 0.850 17 residues pruned to eliminate duplicates Z: 28 16.619 1.637 0.539 0.683 0.963 0.741 CB 1.115 14 residues pruned to eliminate duplicates Z: 8 10.862 1.660 0.676 0.903 0.857 0.429 CB 1.227 8 residues pruned to eliminate duplicates Z: 14 16.533 1.665 0.819 0.788 1.000 0.846 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 18.158 1.776 0.910 0.847 1.000 0.909 CB 1.199 12 residues pruned to eliminate duplicates Z: 14 18.323 1.690 0.863 0.917 1.000 0.846 CB 1.139 14 residues pruned to eliminate duplicates Z: 6 2.678 1.442 0.217 0.452 0.800 0.600 CB 0.896 Z: 14 10.556 1.608 0.393 0.896 1.000 0.923 CB 0.937 14 residues pruned to eliminate duplicates Z: 9 5.115 1.540 0.760 0.423 0.750 0.625 CA 0.963 Z: 12 14.223 1.698 1.161 0.801 0.909 0.909 CA 0.988 12 residues pruned to eliminate duplicates Z: 8 3.969 1.554 0.008 0.795 0.857 0.857 CB 0.863 7 residues pruned to eliminate duplicates Z: 8 9.145 1.710 0.236 0.855 1.000 1.000 N 1.206 7 residues pruned to eliminate duplicates Z: 14 10.801 1.619 0.486 0.867 0.923 0.769 CB 0.986 14 residues pruned to eliminate duplicates Z: 16 9.593 1.618 0.513 0.528 0.867 0.667 CA 1.135 16 residues pruned to eliminate duplicates Z: 16 17.741 1.724 0.535 0.903 1.000 0.867 CB 1.234 16 residues pruned to eliminate duplicates Z: 8 6.211 1.593 0.421 0.739 0.857 0.429 CA 0.976 8 residues pruned to eliminate duplicates Z: 18 12.865 1.589 0.528 0.850 0.941 0.647 CB 1.011 18 residues pruned to eliminate duplicates Z: 26 17.982 1.709 0.674 0.599 0.920 0.560 CB 1.244 24 residues pruned to eliminate duplicates Z: 14 13.886 1.648 0.787 0.920 1.000 0.923 CB 0.921 14 residues pruned to eliminate duplicates Z: 11 9.911 1.492 0.599 0.908 1.000 0.900 CB 0.933 11 residues pruned to eliminate duplicates Z: 16 14.168 1.678 0.934 0.797 0.933 0.600 CB 0.931 16 residues pruned to eliminate duplicates Z: 6 2.798 1.334 0.513 0.301 1.000 0.800 N 0.774 Z: 16 9.659 1.557 0.293 0.795 0.933 0.533 CB 1.025 16 residues pruned to eliminate duplicates Z: 15 15.490 1.646 1.108 0.849 0.929 0.571 CB 0.953 15 residues pruned to eliminate duplicates Z: 28 16.600 1.734 0.486 0.528 0.963 0.778 CB 1.252 37 residues pruned to eliminate duplicates Z: 10 2.516 1.437 0.174 0.261 0.667 0.444 CB 0.980 Z: 21 15.124 1.535 0.569 0.888 1.000 0.750 CB 1.011 31 residues pruned to eliminate duplicates Z: 17 12.034 1.596 0.388 0.861 0.938 0.812 CB 1.065 17 residues pruned to eliminate duplicates Z: 10 9.913 1.625 0.745 0.874 0.889 0.444 CB 0.955 10 residues pruned to eliminate duplicates Z: 10 12.447 1.575 0.891 0.813 1.000 0.556 CA 1.060 11 residues pruned to eliminate duplicates Z: 13 11.770 1.688 0.364 0.869 1.000 0.833 CA 1.078 13 residues pruned to eliminate duplicates Z: 7 4.797 1.554 0.098 0.649 1.000 0.833 CB 0.999 Z: 7 4.454 1.545 -0.045 0.723 1.000 0.833 CB 1.008 Z: 15 17.397 1.668 0.870 0.870 1.000 0.857 CB 1.088 15 residues pruned to eliminate duplicates Z: 63 33.435 1.772 0.884 0.606 0.968 0.710 CB 1.188 63 residues pruned to eliminate duplicates Z: 15 16.062 1.688 0.627 0.893 1.000 0.929 CB 1.122 15 residues pruned to eliminate duplicates 6 1.991 1.533 0.186 0.484 0.600 0.600 CB 0.829 ? Z: 9 6.901 1.545 0.244 0.888 1.000 0.750 CB 0.914 9 residues pruned to eliminate duplicates Z: 7 4.651 1.346 0.654 0.866 1.000 0.833 CB 0.624 7 residues pruned to eliminate duplicates Z: 6 2.138 1.283 0.295 0.300 1.000 0.600 N 0.720 Z: 14 14.266 1.709 0.393 0.834 1.000 0.615 CB 1.246 14 residues pruned to eliminate duplicates Z: 13 9.829 1.723 0.870 0.489 0.917 0.583 CB 0.971 13 residues pruned to eliminate duplicates Z: 6 5.100 1.180 1.203 0.623 0.800 0.400 O 0.976 Z: 53 31.512 1.812 0.884 0.592 0.942 0.731 CB 1.244 53 residues pruned to eliminate duplicates Z: 17 11.987 1.535 0.487 0.861 1.000 0.750 CB 0.964 17 residues pruned to eliminate duplicates Z: 10 8.364 1.505 1.036 0.914 1.000 0.889 CB 0.644 10 residues pruned to eliminate duplicates Z: 9 6.874 1.531 0.232 0.706 1.000 0.875 CA 1.068 13 residues pruned to eliminate duplicates Z: 13 12.777 1.747 0.792 0.732 0.833 0.833 CB 1.148 12 residues pruned to eliminate duplicates Z: 14 11.789 1.578 0.547 0.875 1.000 0.846 CB 0.974 14 residues pruned to eliminate duplicates Z: 6 9.223 1.676 0.599 0.882 1.000 1.000 CB 1.113 6 residues pruned to eliminate duplicates Z: 12 12.963 1.712 0.638 0.883 1.000 0.909 CB 1.008 12 residues pruned to eliminate duplicates Z: 6 2.628 1.300 0.388 0.501 0.600 0.400 CA 1.085 Z: 8 4.164 1.694 -0.120 0.683 1.000 0.857 CB 0.892 8 residues pruned to eliminate duplicates Z: 22 14.503 1.685 0.619 0.816 0.857 0.524 CA 1.029 22 residues pruned to eliminate duplicates Z: 15 21.037 1.789 1.048 0.929 1.000 0.929 CB 1.074 15 residues pruned to eliminate duplicates Z: 9 5.781 1.550 0.301 0.604 0.750 0.750 N 1.224 9 residues pruned to eliminate duplicates Z: 8 3.020 1.226 0.620 0.579 0.714 0.571 N 0.746 Z: 33 25.806 1.799 0.630 0.599 1.000 0.688 CA 1.415 33 residues pruned to eliminate duplicates Z: 10 7.524 1.603 0.690 0.496 0.889 0.333 N 1.045 10 residues pruned to eliminate duplicates Z: 6 4.501 1.539 0.917 0.445 0.800 0.400 CB 0.902 Z: 17 14.096 1.566 0.400 0.837 1.000 0.750 CB 1.202 17 residues pruned to eliminate duplicates Z: 13 19.699 1.778 1.247 0.784 0.917 0.833 CB 1.210 12 residues pruned to eliminate duplicates Z: 45 19.757 1.643 0.730 0.582 0.864 0.682 CB 1.122 45 residues pruned to eliminate duplicates Z: 6 2.788 1.491 0.158 0.282 0.800 0.600 N 1.154 Z: 13 17.287 1.749 0.940 0.815 1.000 0.917 CB 1.118 13 residues pruned to eliminate duplicates Z: 11 6.498 1.735 0.226 0.589 1.000 0.900 CB 0.887 11 residues pruned to eliminate duplicates Z: 18 14.038 1.803 0.755 0.426 0.882 0.471 CA 1.317 18 residues pruned to eliminate duplicates Z: 33 16.820 1.627 0.646 0.420 0.938 0.562 CB 1.288 33 residues pruned to eliminate duplicates Z: 6 4.252 1.406 0.708 0.736 1.000 0.800 CB 0.641 Z: 13 17.772 1.672 0.845 0.813 1.000 0.667 CA 1.267 13 residues pruned to eliminate duplicates 7 1.849 1.471 0.293 0.778 1.000 0.833 CB 0.310 ? Z: 8 5.967 1.659 0.731 0.397 0.857 0.571 CA 1.021 8 residues pruned to eliminate duplicates Z: 21 14.212 1.587 0.428 0.767 0.950 0.550 CB 1.165 21 residues pruned to eliminate duplicates Z: 6 9.160 1.665 0.528 0.863 1.000 1.000 CA 1.181 6 residues pruned to eliminate duplicates Z: 8 2.389 1.283 0.583 0.275 0.714 0.286 CB 0.804 Z: 6 2.312 1.205 0.878 0.287 0.600 0.400 CA 0.967 Z: 9 5.838 1.623 0.074 0.706 0.875 0.750 CB 1.122 9 residues pruned to eliminate duplicates Z: 8 4.059 1.528 0.825 0.408 0.857 0.286 CB 0.707 Z: 6 2.735 1.430 0.384 0.262 1.000 0.400 N 0.811 Z: 9 4.257 1.470 0.698 0.818 0.875 0.750 CB 0.523 Z: 13 16.621 1.752 0.672 0.918 1.000 0.917 CA 1.155 13 residues pruned to eliminate duplicates Z: 7 5.698 1.454 0.933 0.794 0.833 0.500 CB 0.768 5 residues pruned to eliminate duplicates Z: 21 16.868 1.769 1.093 0.442 0.950 0.750 CA 1.138 21 residues pruned to eliminate duplicates Z: 21 14.870 1.822 0.841 0.576 0.850 0.650 CB 1.084 21 residues pruned to eliminate duplicates Z: 6 5.341 1.600 0.928 0.510 0.800 0.400 CA 0.958 6 residues pruned to eliminate duplicates Z: 10 6.599 1.526 0.333 0.422 0.889 0.778 N 1.320 Z: 15 6.768 1.706 0.380 0.345 0.857 0.429 CB 1.060 15 residues pruned to eliminate duplicates Z: 10 6.058 1.602 1.123 0.931 1.000 1.000 CB 0.415 Z: 12 6.912 1.519 0.494 0.402 1.000 0.364 CB 1.018 Z: 36 20.047 1.673 0.811 0.637 0.971 0.714 CB 1.013 36 residues pruned to eliminate duplicates Z: 7 4.691 1.467 0.225 0.684 0.833 0.500 CB 1.080 7 residues pruned to eliminate duplicates Z: 11 14.626 1.772 0.533 0.921 1.000 1.000 CB 1.198 11 residues pruned to eliminate duplicates Z: 7 5.385 1.498 0.547 0.813 0.833 0.667 CB 0.867 7 residues pruned to eliminate duplicates Z: 30 15.767 1.654 0.705 0.653 0.931 0.724 CB 0.967 30 residues pruned to eliminate duplicates Z: 17 5.573 1.476 0.647 0.376 0.812 0.750 CB 0.804 17 residues pruned to eliminate duplicates Z: 9 4.192 1.548 0.640 0.183 0.750 0.375 CB 1.140 Z: 10 8.553 1.518 0.321 0.653 1.000 0.778 CA 1.233 10 residues pruned to eliminate duplicates Z: 16 9.326 1.745 0.232 0.498 0.867 0.533 CB 1.294 16 residues pruned to eliminate duplicates Z: 18 11.782 1.769 0.793 0.354 0.941 0.647 CA 1.121 18 residues pruned to eliminate duplicates Z: 23 17.944 1.637 0.713 0.857 0.955 0.682 CB 1.054 23 residues pruned to eliminate duplicates Z: 14 17.766 1.726 0.720 0.918 1.000 0.923 CB 1.171 14 residues pruned to eliminate duplicates Z: 16 11.711 1.690 0.234 0.874 0.933 0.667 CB 1.131 16 residues pruned to eliminate duplicates Z: 10 3.476 1.239 0.639 0.424 0.667 0.556 N 0.926 Z: 7 2.305 1.247 0.632 0.432 1.000 0.833 CB 0.496 Z: 8 5.896 1.616 0.457 0.843 1.000 0.714 CB 0.705 8 residues pruned to eliminate duplicates Z: 10 4.652 1.531 0.845 0.394 0.889 0.444 CB 0.691 6 residues pruned to eliminate duplicates Z: 57 38.000 1.828 0.881 0.654 0.964 0.750 CB 1.327 57 residues pruned to eliminate duplicates Z: 16 9.126 1.563 0.541 0.769 0.733 0.533 CB 1.051 16 residues pruned to eliminate duplicates Z: 13 12.994 1.749 0.566 0.923 1.000 1.000 CB 0.963 13 residues pruned to eliminate duplicates Z: 7 6.232 1.505 0.370 0.893 1.000 1.000 CB 0.886 7 residues pruned to eliminate duplicates Z: 11 10.343 1.627 0.278 0.843 1.000 1.000 CA 1.171 11 residues pruned to eliminate duplicates Z: 11 6.492 1.537 0.607 0.499 0.900 0.900 CB 0.925 11 residues pruned to eliminate duplicates Z: 16 14.458 1.690 0.783 0.540 1.000 0.733 CA 1.191 16 residues pruned to eliminate duplicates Z: 12 4.531 1.450 0.387 0.450 0.818 0.545 CA 0.874 12 residues pruned to eliminate duplicates 6 1.485 1.346 0.614 0.863 1.000 0.800 CB 0.224 ? Z: 10 5.426 1.413 1.054 0.886 0.889 0.667 CB 0.506 10 residues pruned to eliminate duplicates Z: 12 8.661 1.523 0.429 0.843 0.909 0.636 CB 0.983 12 residues pruned to eliminate duplicates Z: 6 3.156 1.324 0.298 0.826 1.000 1.000 CB 0.619 Z: 7 3.680 1.510 0.549 0.380 0.667 0.667 CA 1.095 7 residues pruned to eliminate duplicates Z: 13 11.308 1.719 0.610 0.568 1.000 0.583 CA 1.105 13 residues pruned to eliminate duplicates Z: 14 15.077 1.783 0.937 0.596 0.923 0.692 CB 1.197 14 residues pruned to eliminate duplicates Z: 7 2.858 1.079 0.432 0.660 1.000 0.500 CB 0.651 7 residues pruned to eliminate duplicates Z: 6 5.165 1.556 0.114 0.635 1.000 0.600 CB 1.174 Z: 6 3.892 1.428 0.266 0.814 1.000 0.800 CB 0.733 6 residues pruned to eliminate duplicates Z: 13 4.658 1.502 0.233 0.457 0.833 0.500 CB 0.910 13 residues pruned to eliminate duplicates Z: 14 10.172 1.506 0.443 0.890 1.000 0.846 CB 0.934 14 residues pruned to eliminate duplicates Z: 35 23.191 1.695 0.916 0.691 0.971 0.706 CB 1.059 35 residues pruned to eliminate duplicates Z: 9 7.928 1.691 0.743 0.492 0.875 0.625 CB 1.095 9 residues pruned to eliminate duplicates Z: 16 13.426 1.619 0.432 0.832 0.933 0.600 CB 1.203 16 residues pruned to eliminate duplicates Z: 13 10.111 1.439 0.554 0.857 1.000 0.917 CB 0.962 12 residues pruned to eliminate duplicates Z: 6 4.497 1.499 0.384 0.697 1.000 0.800 CB 0.810 6 residues pruned to eliminate duplicates Z: 22 10.129 1.701 0.355 0.594 0.810 0.571 CB 1.083 22 residues pruned to eliminate duplicates Z: 7 5.298 1.524 0.396 0.824 1.000 0.333 CB 0.768 Z: 24 16.299 1.626 0.547 0.813 0.913 0.652 CA 1.127 24 residues pruned to eliminate duplicates Z: 6 2.100 1.184 0.173 0.418 1.000 0.600 N 0.736 Z: 7 2.069 1.409 -0.010 0.447 0.667 0.333 N 0.959 7 residues pruned to eliminate duplicates Z: 16 16.328 1.635 0.648 0.907 1.000 0.933 CB 1.112 16 residues pruned to eliminate duplicates Z: 19 10.894 1.735 0.409 0.479 0.944 0.611 CA 1.136 19 residues pruned to eliminate duplicates Z: 7 6.758 1.443 0.249 0.862 1.000 1.000 CA 1.124 7 residues pruned to eliminate duplicates Z: 11 4.990 1.466 0.230 0.779 0.800 0.600 CB 0.855 11 residues pruned to eliminate duplicates Z: 12 8.437 1.411 0.805 0.820 1.000 0.636 CB 0.756 11 residues pruned to eliminate duplicates Z: 15 13.407 1.616 0.691 0.869 0.857 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 30 18.451 1.689 0.583 0.639 1.000 0.655 CB 1.125 30 residues pruned to eliminate duplicates Z: 7 3.034 1.227 0.514 0.293 0.833 0.333 CA 1.009 Z: 17 14.578 1.585 0.544 0.894 0.938 0.750 CA 1.139 17 residues pruned to eliminate duplicates Z: 13 16.054 1.706 0.598 0.827 1.000 0.833 CB 1.281 13 residues pruned to eliminate duplicates Z: 11 5.907 1.562 0.329 0.616 0.900 0.700 CB 0.896 Z: 12 5.549 1.506 0.327 0.444 0.909 0.364 CB 0.975 Z: 7 2.116 1.245 0.950 0.303 0.500 0.500 N 0.887 Z: 15 5.578 1.489 0.472 0.343 0.786 0.357 N 1.027 15 residues pruned to eliminate duplicates Z: 11 3.669 1.487 -0.022 0.537 0.800 0.700 CA 0.962 Z: 8 10.869 1.715 0.976 0.707 1.000 0.857 CA 1.004 Z: 6 3.880 1.337 0.647 0.687 0.800 0.400 CB 0.830 Z: 14 8.738 1.454 0.628 0.851 1.000 0.846 CB 0.758 14 residues pruned to eliminate duplicates Z: 41 16.790 1.690 0.429 0.491 0.875 0.575 CB 1.268 39 residues pruned to eliminate duplicates Z: 13 6.910 1.408 0.740 0.735 1.000 0.833 CB 0.659 13 residues pruned to eliminate duplicates Z: 10 14.778 1.744 0.790 0.893 1.000 0.889 CB 1.132 10 residues pruned to eliminate duplicates Z: 9 3.367 1.447 0.269 0.571 0.750 0.500 CB 0.808 792 residues left after pruning, divided into chains as follows: A: 35 B: 7 C: 19 D: 19 E: 37 F: 105 G: 66 H: 64 I: 35 J: 56 K: 19 L: 82 M: 56 N: 8 O: 12 P: 70 Q: 102 CC for partial structure against native data = 42.09 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.365, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.426, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.735 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.737 for dens.mod. cycle 4 = 0.300, Contrast = 0.530, Connect. = 0.740 for dens.mod. cycle 5 = 0.300, Contrast = 0.535, Connect. = 0.742 for dens.mod. cycle 6 = 0.300, Contrast = 0.540, Connect. = 0.744 for dens.mod. cycle 7 = 0.300, Contrast = 0.543, Connect. = 0.746 for dens.mod. cycle 8 = 0.300, Contrast = 0.546, Connect. = 0.747 for dens.mod. cycle 9 = 0.300, Contrast = 0.547, Connect. = 0.748 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3796 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 839 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 10.732 1.804 0.318 0.766 0.889 0.778 CA 1.337 B: 14 14.606 1.708 0.389 0.795 1.000 0.846 CA 1.319 C: 9 9.783 1.812 0.278 0.571 1.000 0.875 N 1.394 D: 41 23.894 1.795 0.674 0.545 0.925 0.575 CB 1.301 E: 12 21.019 1.813 0.897 0.864 1.000 0.909 CA 1.351 F: 14 20.877 1.697 0.985 0.841 1.000 0.692 N 1.281 14 residues pruned to eliminate duplicates G: 12 14.847 1.904 0.294 0.911 1.000 1.000 CA 1.287 H: 14 20.852 1.827 0.701 0.904 1.000 0.923 CB 1.326 I: 13 19.532 1.927 0.907 0.740 0.833 0.833 CA 1.484 J: 11 11.162 1.859 0.709 0.630 0.800 0.700 CB 1.229 11 residues pruned to eliminate duplicates K: 7 9.652 1.851 0.291 0.690 1.000 0.833 CB 1.386 L: 9 12.133 1.692 0.540 0.873 1.000 0.750 CA 1.199 M: 53 30.466 1.818 0.615 0.649 0.942 0.654 CB 1.328 14 residues pruned to eliminate duplicates N: 16 12.211 1.717 0.276 0.817 0.933 0.600 CB 1.170 9 residues pruned to eliminate duplicates O: 23 21.094 1.873 0.473 0.747 0.955 0.818 CB 1.370 12 residues pruned to eliminate duplicates P: 14 5.218 1.586 0.370 0.359 0.769 0.154 CB 1.008 7 residues pruned to eliminate duplicates Q: 11 18.081 1.817 0.618 0.859 1.000 0.800 CA 1.431 R: 70 26.346 1.762 0.533 0.570 0.870 0.594 CB 1.263 51 residues pruned to eliminate duplicates S: 12 21.892 1.753 0.789 0.883 1.000 0.909 CA 1.522 11 residues pruned to eliminate duplicates T: 16 13.430 1.598 0.638 0.716 0.933 0.667 CB 1.167 U: 16 20.029 1.784 0.859 0.774 0.867 0.467 CB 1.412 19 residues pruned to eliminate duplicates V: 13 12.644 1.683 0.533 0.613 0.917 0.833 CA 1.386 W: 14 11.822 1.633 0.541 0.600 1.000 0.846 CA 1.185 13 residues pruned to eliminate duplicates X: 7 8.498 1.683 0.581 0.714 1.000 1.000 CB 1.074 Y: 10 11.540 1.756 0.470 0.658 1.000 0.778 CB 1.287 Z: 11 12.838 1.717 0.682 0.794 0.800 0.600 CA 1.358 10 residues pruned to eliminate duplicates Z: 14 16.563 1.765 0.510 0.808 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 14 15.521 1.774 0.657 0.720 0.923 0.692 CB 1.300 Z: 7 5.973 1.585 0.435 0.872 0.833 0.833 CB 0.937 Z: 14 13.688 1.636 1.046 0.868 0.846 0.769 CB 0.980 Z: 13 11.794 1.743 0.675 0.814 0.917 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 24 15.135 1.873 0.754 0.415 0.913 0.739 CB 1.150 24 residues pruned to eliminate duplicates Z: 7 11.074 1.800 0.399 0.842 1.000 0.667 CA 1.337 7 residues pruned to eliminate duplicates Z: 13 14.561 1.857 0.637 0.802 0.833 0.750 CB 1.274 13 residues pruned to eliminate duplicates Z: 24 13.358 1.619 0.467 0.477 0.957 0.652 CB 1.255 Z: 13 18.286 1.775 0.537 0.848 1.000 0.917 CB 1.436 13 residues pruned to eliminate duplicates Z: 13 15.531 1.904 0.333 0.844 1.000 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 14 20.558 1.823 0.660 0.918 1.000 0.923 CA 1.329 14 residues pruned to eliminate duplicates Z: 14 15.501 1.649 1.001 0.800 0.923 0.846 CA 1.085 14 residues pruned to eliminate duplicates Z: 9 4.169 1.547 0.427 0.764 0.625 0.625 CB 0.845 Z: 11 5.017 1.496 0.847 0.650 0.900 0.700 CB 0.555 Z: 16 13.987 1.588 0.844 0.817 0.800 0.667 CA 1.171 15 residues pruned to eliminate duplicates Z: 29 18.212 1.703 0.416 0.647 0.964 0.714 CB 1.290 22 residues pruned to eliminate duplicates Z: 13 15.094 1.862 0.847 0.763 0.917 0.833 CB 1.094 13 residues pruned to eliminate duplicates Z: 13 19.139 1.896 0.629 0.848 1.000 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 26 9.699 1.727 0.115 0.367 0.880 0.520 CB 1.321 Z: 9 9.562 1.703 0.263 0.830 0.875 0.750 CA 1.351 Z: 12 20.576 1.892 0.600 0.918 1.000 0.909 CB 1.445 12 residues pruned to eliminate duplicates Z: 7 7.257 1.711 0.644 0.621 0.833 0.667 N 1.127 8 residues pruned to eliminate duplicates Z: 13 21.577 1.875 0.681 0.939 1.000 1.000 CB 1.374 13 residues pruned to eliminate duplicates Z: 9 4.411 1.751 0.583 0.356 0.625 0.500 CA 1.052 9 residues pruned to eliminate duplicates Z: 14 21.750 1.858 0.645 0.913 1.000 0.923 CB 1.396 14 residues pruned to eliminate duplicates Z: 12 6.892 1.515 0.772 0.394 0.818 0.545 CB 1.058 10 residues pruned to eliminate duplicates Z: 6 2.612 1.396 0.037 0.690 0.800 0.600 N 0.848 6 residues pruned to eliminate duplicates Z: 16 14.703 1.720 0.548 0.865 1.000 0.667 CB 1.045 16 residues pruned to eliminate duplicates Z: 18 11.059 1.704 0.537 0.546 0.824 0.529 CB 1.189 12 residues pruned to eliminate duplicates Z: 13 16.569 1.695 0.426 0.892 1.000 0.917 CA 1.422 13 residues pruned to eliminate duplicates Z: 12 4.045 1.569 0.462 0.330 0.636 0.455 N 1.006 8 residues pruned to eliminate duplicates Z: 46 24.691 1.799 0.555 0.593 0.911 0.689 CA 1.321 41 residues pruned to eliminate duplicates Z: 13 13.041 1.645 0.454 0.829 1.000 0.833 CA 1.185 13 residues pruned to eliminate duplicates Z: 16 11.884 1.792 0.378 0.782 0.867 0.600 CB 1.119 16 residues pruned to eliminate duplicates Z: 30 12.792 1.681 0.425 0.473 0.862 0.586 CB 1.182 Z: 10 12.740 1.661 0.532 0.876 1.000 0.778 CB 1.213 9 residues pruned to eliminate duplicates Z: 9 8.758 1.513 0.475 0.809 1.000 0.750 N 1.060 8 residues pruned to eliminate duplicates Z: 16 14.116 1.757 0.321 0.838 1.000 0.667 CB 1.174 16 residues pruned to eliminate duplicates Z: 11 10.966 1.592 0.695 0.733 0.800 0.700 CB 1.303 Z: 8 8.836 1.667 0.676 0.585 0.857 0.571 N 1.285 Z: 12 9.831 1.853 0.640 0.701 0.818 0.727 CB 0.993 12 residues pruned to eliminate duplicates Z: 8 9.408 1.746 0.243 0.843 1.000 1.000 N 1.219 Z: 16 14.410 1.589 0.632 0.802 0.933 0.667 N 1.180 15 residues pruned to eliminate duplicates Z: 17 17.302 1.663 0.696 0.757 0.938 0.500 CA 1.301 Z: 12 9.423 1.518 0.369 0.791 0.909 0.727 CB 1.165 Z: 11 12.581 1.589 1.063 0.676 0.900 0.700 CA 1.146 Z: 20 14.589 1.837 0.600 0.435 0.947 0.579 CB 1.285 20 residues pruned to eliminate duplicates Z: 9 4.487 1.711 0.795 0.315 0.875 0.625 CB 0.724 5 residues pruned to eliminate duplicates Z: 9 8.844 1.696 0.307 0.890 1.000 0.875 CB 1.015 9 residues pruned to eliminate duplicates Z: 14 19.220 1.836 0.508 0.890 1.000 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 11 7.497 1.532 0.666 0.456 0.900 0.700 CB 1.079 Z: 9 6.223 1.538 0.752 0.660 0.750 0.750 CA 0.938 Z: 7 9.549 1.734 0.471 0.522 1.000 1.000 O 1.495 Z: 9 5.142 1.559 0.608 0.510 0.750 0.750 CB 0.957 6 residues pruned to eliminate duplicates Z: 14 21.683 1.693 0.936 0.858 1.000 0.846 CA 1.351 14 residues pruned to eliminate duplicates Z: 23 15.876 1.804 0.437 0.565 0.955 0.773 CB 1.284 23 residues pruned to eliminate duplicates Z: 11 17.652 1.780 1.156 0.781 0.900 0.800 N 1.261 10 residues pruned to eliminate duplicates Z: 14 18.816 1.666 0.960 0.820 0.923 0.538 CB 1.311 14 residues pruned to eliminate duplicates Z: 17 16.963 1.665 0.949 0.722 0.938 0.438 CB 1.140 17 residues pruned to eliminate duplicates Z: 10 18.724 1.890 0.869 0.768 1.000 1.000 CB 1.394 10 residues pruned to eliminate duplicates Z: 14 16.552 1.658 1.021 0.799 0.846 0.615 CA 1.246 15 residues pruned to eliminate duplicates Z: 39 14.485 1.721 0.257 0.484 0.947 0.605 CB 1.166 20 residues pruned to eliminate duplicates Z: 9 7.497 1.327 0.649 0.714 0.875 0.625 CB 1.141 Z: 10 8.966 1.752 0.513 0.680 0.778 0.667 N 1.229 10 residues pruned to eliminate duplicates Z: 13 11.380 1.683 0.291 0.922 1.000 0.917 CB 1.063 8 residues pruned to eliminate duplicates Z: 11 14.750 1.739 0.639 0.863 0.900 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 8 6.464 1.442 0.779 0.703 0.857 0.571 CB 0.924 Z: 10 15.110 1.677 1.058 0.716 0.889 0.667 CA 1.351 10 residues pruned to eliminate duplicates Z: 16 8.290 1.666 0.549 0.340 0.933 0.400 CA 1.058 Z: 14 13.278 1.789 0.625 0.718 0.846 0.615 CB 1.229 10 residues pruned to eliminate duplicates Z: 13 14.616 1.619 0.601 0.895 0.917 0.750 CA 1.273 11 residues pruned to eliminate duplicates Z: 12 17.795 1.924 0.925 0.759 0.818 0.818 CB 1.406 12 residues pruned to eliminate duplicates Z: 8 7.110 1.529 0.709 0.747 0.714 0.714 N 1.154 Z: 6 7.543 1.652 0.255 0.867 1.000 0.600 CA 1.190 6 residues pruned to eliminate duplicates Z: 13 18.109 1.865 0.627 0.855 1.000 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 14 10.578 1.698 0.254 0.888 1.000 0.846 CB 0.992 3 residues pruned to eliminate duplicates Z: 13 8.890 1.672 0.777 0.697 0.833 0.583 CB 0.866 6 residues pruned to eliminate duplicates Z: 7 8.601 1.612 0.689 0.682 0.833 0.500 CA 1.310 Z: 11 13.361 1.686 0.629 0.844 1.000 0.700 N 1.145 11 residues pruned to eliminate duplicates Z: 44 20.314 1.731 0.609 0.477 0.860 0.535 CB 1.323 44 residues pruned to eliminate duplicates Z: 14 10.454 1.674 0.435 0.698 0.923 0.769 CB 1.092 14 residues pruned to eliminate duplicates Z: 9 5.385 1.634 0.268 0.627 0.875 0.750 CB 0.932 Z: 6 4.596 1.728 0.525 0.290 0.800 0.600 CA 1.234 Z: 14 21.545 1.703 1.116 0.837 1.000 0.923 N 1.240 12 residues pruned to eliminate duplicates Z: 13 16.995 1.865 0.474 0.822 1.000 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 8 8.237 1.689 0.422 0.596 1.000 0.714 CA 1.183 Z: 15 6.447 1.718 0.498 0.188 0.857 0.429 CB 1.135 8 residues pruned to eliminate duplicates Z: 7 5.611 1.593 0.452 0.669 0.833 0.500 CA 1.016 Z: 6 3.016 1.695 -0.065 0.705 1.000 0.600 CB 0.706 Z: 11 10.284 1.636 0.459 0.647 1.000 0.600 CA 1.188 8 residues pruned to eliminate duplicates Z: 26 15.832 1.786 0.463 0.488 0.920 0.520 CA 1.333 14 residues pruned to eliminate duplicates Z: 40 13.733 1.693 0.345 0.513 0.872 0.615 CB 1.094 40 residues pruned to eliminate duplicates Z: 9 3.813 1.445 0.654 0.375 0.500 0.375 N 1.289 Z: 10 9.615 1.745 0.566 0.501 0.889 0.667 CB 1.319 Z: 17 19.513 1.630 0.766 0.858 1.000 0.500 CB 1.248 17 residues pruned to eliminate duplicates Z: 12 23.448 1.832 0.998 0.942 1.000 1.000 CB 1.340 12 residues pruned to eliminate duplicates Z: 36 21.727 1.755 0.929 0.450 0.886 0.629 CB 1.288 36 residues pruned to eliminate duplicates Z: 17 13.645 1.652 0.492 0.841 0.938 0.625 CB 1.101 17 residues pruned to eliminate duplicates Z: 12 16.146 1.698 0.653 0.885 1.000 0.727 CB 1.252 9 residues pruned to eliminate duplicates Z: 15 19.803 1.769 0.801 0.863 0.929 0.929 CB 1.312 15 residues pruned to eliminate duplicates Z: 6 4.853 1.660 0.797 0.450 1.000 0.800 CB 0.766 Z: 12 17.080 1.803 0.938 0.762 1.000 0.909 CA 1.168 Z: 6 3.979 1.298 0.665 0.610 0.800 0.400 N 0.927 Z: 7 4.862 1.487 0.094 0.670 1.000 0.333 CB 1.043 Z: 13 10.348 1.602 0.624 0.526 0.917 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 17 12.458 1.809 0.689 0.447 0.875 0.625 CB 1.230 Z: 12 17.694 1.682 1.054 0.910 0.909 0.727 CB 1.204 12 residues pruned to eliminate duplicates Z: 9 4.141 1.662 0.310 0.183 0.750 0.625 CB 1.312 Z: 18 8.985 1.647 0.520 0.414 0.824 0.412 N 1.157 18 residues pruned to eliminate duplicates Z: 11 17.839 1.842 0.802 0.813 1.000 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 13 12.977 1.776 0.821 0.727 0.833 0.833 CB 1.133 13 residues pruned to eliminate duplicates Z: 12 9.233 1.644 0.300 0.829 0.909 0.818 CB 1.078 12 residues pruned to eliminate duplicates Z: 12 19.825 1.977 0.870 0.805 0.909 0.818 CB 1.363 13 residues pruned to eliminate duplicates Z: 58 27.118 1.764 0.565 0.567 0.930 0.632 CA 1.311 47 residues pruned to eliminate duplicates Z: 9 6.847 1.654 0.420 0.720 0.875 0.875 CB 0.965 Z: 15 16.886 1.814 0.544 0.801 0.929 0.571 CA 1.334 15 residues pruned to eliminate duplicates Z: 8 5.488 1.539 0.906 0.352 0.714 0.571 CB 1.162 Z: 16 10.664 1.767 0.356 0.509 1.000 0.800 CA 1.138 15 residues pruned to eliminate duplicates Z: 6 7.497 1.650 0.388 0.693 1.000 0.800 CB 1.228 Z: 8 7.571 1.540 0.635 0.686 0.857 0.857 CB 1.118 9 residues pruned to eliminate duplicates Z: 34 11.646 1.745 0.323 0.494 0.818 0.394 CB 1.080 22 residues pruned to eliminate duplicates Z: 33 14.226 1.611 0.572 0.570 0.875 0.688 CB 1.060 33 residues pruned to eliminate duplicates Z: 9 3.351 1.618 -0.024 0.416 0.750 0.500 CB 1.092 Z: 13 14.059 1.625 0.898 0.817 1.000 0.417 CB 0.999 Z: 9 10.684 1.653 0.666 0.770 0.875 0.875 CA 1.234 Z: 16 14.282 1.754 0.579 0.568 0.933 0.867 CA 1.336 16 residues pruned to eliminate duplicates Z: 11 8.580 1.667 0.676 0.732 0.900 0.700 CB 0.876 Z: 13 11.708 1.741 0.610 0.567 0.917 0.750 CA 1.234 13 residues pruned to eliminate duplicates Z: 38 15.551 1.727 0.396 0.537 0.892 0.486 CB 1.147 40 residues pruned to eliminate duplicates Z: 6 8.273 1.646 0.933 0.743 1.000 1.000 CB 0.935 Z: 51 22.372 1.725 0.668 0.506 0.880 0.600 CB 1.242 51 residues pruned to eliminate duplicates Z: 10 10.206 1.628 0.808 0.777 0.889 0.889 CB 1.018 Z: 15 9.061 1.533 0.243 0.829 0.929 0.786 CB 1.030 6 1.052 1.416 0.453 0.562 0.800 0.800 N 0.269 ? Z: 14 7.068 1.459 0.560 0.489 0.846 0.615 CB 1.030 Z: 10 9.649 1.701 0.618 0.662 0.889 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 12 15.106 1.828 0.652 0.727 0.909 0.636 CB 1.353 13 residues pruned to eliminate duplicates Z: 13 14.582 1.617 0.879 0.896 1.000 0.833 CB 0.992 13 residues pruned to eliminate duplicates Z: 45 18.256 1.698 0.569 0.475 0.909 0.614 CB 1.165 55 residues pruned to eliminate duplicates Z: 10 4.296 1.443 0.585 0.625 0.778 0.444 CB 0.716 10 residues pruned to eliminate duplicates Z: 15 18.439 1.769 0.666 0.900 0.929 0.786 CB 1.286 15 residues pruned to eliminate duplicates Z: 8 5.461 1.607 0.431 0.517 1.000 0.286 CB 0.883 Z: 7 5.635 1.731 0.369 0.424 1.000 0.500 CA 1.051 Z: 6 4.218 1.677 0.425 0.540 0.800 0.800 CB 0.949 6 residues pruned to eliminate duplicates Z: 6 9.974 1.900 0.650 0.734 0.800 0.600 CB 1.441 6 residues pruned to eliminate duplicates Z: 23 11.234 1.729 0.377 0.481 0.909 0.636 CB 1.129 23 residues pruned to eliminate duplicates Z: 11 22.485 1.846 1.063 0.858 1.000 0.400 CB 1.374 11 residues pruned to eliminate duplicates Z: 10 5.420 1.618 0.423 0.512 0.778 0.556 CB 0.997 Z: 11 3.561 1.490 0.245 0.323 0.800 0.400 CB 0.922 Z: 12 9.231 1.678 0.580 0.587 0.818 0.727 CB 1.180 11 residues pruned to eliminate duplicates Z: 44 29.313 1.851 0.534 0.684 0.977 0.791 CB 1.362 44 residues pruned to eliminate duplicates Z: 25 15.961 1.736 0.575 0.564 0.875 0.667 CB 1.279 12 residues pruned to eliminate duplicates Z: 25 15.204 1.680 0.687 0.518 0.917 0.625 CB 1.173 25 residues pruned to eliminate duplicates Z: 16 15.075 1.760 0.387 0.866 0.933 0.667 CA 1.250 17 residues pruned to eliminate duplicates Z: 12 13.092 1.638 0.633 0.831 1.000 0.818 CB 1.109 15 residues pruned to eliminate duplicates Z: 17 13.993 1.726 0.594 0.776 0.938 0.750 CA 1.063 16 residues pruned to eliminate duplicates Z: 13 18.545 1.768 0.788 0.868 1.000 0.917 CA 1.238 12 residues pruned to eliminate duplicates Z: 11 8.049 1.650 0.305 0.519 0.900 0.600 CB 1.289 Z: 7 3.647 1.575 0.734 0.452 0.500 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 7 8.918 1.669 0.375 0.829 1.000 0.667 CA 1.194 7 residues pruned to eliminate duplicates Z: 7 4.358 1.602 0.210 0.390 0.833 0.500 N 1.237 Z: 20 11.625 1.679 0.528 0.516 0.947 0.474 CB 1.079 21 residues pruned to eliminate duplicates Z: 9 8.371 1.601 0.468 0.722 1.000 0.750 CA 1.031 9 residues pruned to eliminate duplicates Z: 6 2.788 1.619 0.690 0.371 0.600 0.600 CB 0.873 6 residues pruned to eliminate duplicates Z: 7 4.167 1.422 0.511 0.481 0.833 0.500 O 0.968 Z: 10 11.510 1.674 0.392 0.836 1.000 0.889 CB 1.233 10 residues pruned to eliminate duplicates Z: 9 13.461 1.966 0.426 0.720 1.000 0.875 CB 1.391 9 residues pruned to eliminate duplicates Z: 7 4.833 1.323 0.088 0.874 1.000 0.833 CB 0.999 7 residues pruned to eliminate duplicates Z: 9 5.110 1.460 -0.026 0.745 1.000 0.625 CB 1.020 8 residues pruned to eliminate duplicates Z: 13 10.374 1.643 0.232 0.911 1.000 0.917 CB 1.049 Z: 11 10.613 1.729 0.614 0.620 0.800 0.500 N 1.342 11 residues pruned to eliminate duplicates Z: 17 12.957 1.767 0.792 0.478 0.812 0.625 CB 1.287 Z: 13 12.586 1.585 0.426 0.838 0.917 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 15 13.902 1.837 0.767 0.605 0.786 0.786 CB 1.319 18 residues pruned to eliminate duplicates Z: 8 4.139 1.265 0.494 0.524 1.000 0.714 N 0.808 Z: 14 18.816 1.683 0.915 0.902 1.000 0.923 CA 1.155 14 residues pruned to eliminate duplicates Z: 8 12.484 1.758 0.749 0.855 1.000 0.857 CB 1.133 8 residues pruned to eliminate duplicates Z: 16 7.161 1.544 0.500 0.326 0.867 0.400 CB 1.115 10 residues pruned to eliminate duplicates Z: 9 6.170 1.443 0.523 0.691 1.000 0.500 CB 0.833 6 0.878 1.389 0.139 0.406 0.600 0.400 CB 0.457 ? Z: 16 8.664 1.577 0.332 0.771 0.933 0.667 CB 0.898 16 residues pruned to eliminate duplicates Z: 14 10.107 1.573 0.656 0.748 0.769 0.692 CB 1.121 10 residues pruned to eliminate duplicates Z: 10 3.053 1.443 0.467 0.146 0.667 0.111 CA 1.117 10 residues pruned to eliminate duplicates Z: 14 15.902 1.745 0.741 0.787 0.923 0.769 CB 1.222 13 residues pruned to eliminate duplicates Z: 13 10.071 1.681 0.433 0.725 0.750 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 14 10.792 1.712 0.239 0.733 0.923 0.538 N 1.239 14 residues pruned to eliminate duplicates Z: 41 33.101 1.874 0.682 0.757 0.950 0.725 CB 1.391 41 residues pruned to eliminate duplicates Z: 28 10.485 1.647 0.619 0.373 0.852 0.667 CB 1.018 23 residues pruned to eliminate duplicates Z: 23 13.931 1.579 0.692 0.773 0.909 0.500 CB 0.961 25 residues pruned to eliminate duplicates Z: 9 3.842 1.487 0.534 0.286 0.750 0.250 CA 1.010 Z: 20 11.162 1.686 0.361 0.492 0.947 0.737 CB 1.187 20 residues pruned to eliminate duplicates Z: 13 12.653 1.792 0.418 0.838 1.000 0.833 CB 1.075 13 residues pruned to eliminate duplicates Z: 14 21.451 1.720 0.870 0.839 1.000 0.769 CA 1.381 14 residues pruned to eliminate duplicates Z: 12 13.202 1.840 0.837 0.693 0.818 0.636 CB 1.206 12 residues pruned to eliminate duplicates Z: 16 17.954 1.774 0.538 0.849 1.000 0.600 CA 1.260 16 residues pruned to eliminate duplicates Z: 11 7.361 1.476 0.780 0.374 0.800 0.400 CA 1.267 Z: 12 16.599 1.793 0.611 0.859 1.000 0.818 CA 1.275 12 residues pruned to eliminate duplicates Z: 8 4.874 1.511 0.492 0.445 0.857 0.571 CB 1.009 Z: 6 2.008 1.622 0.666 0.295 0.600 0.400 CB 0.697 6 residues pruned to eliminate duplicates Z: 8 3.983 1.370 0.850 0.289 0.857 0.571 N 0.878 Z: 14 17.183 1.839 0.890 0.617 0.923 0.846 CB 1.330 14 residues pruned to eliminate duplicates Z: 11 5.754 1.466 0.242 0.689 0.900 0.800 CB 0.934 Z: 12 9.842 1.865 0.316 0.662 0.909 0.455 CB 1.144 12 residues pruned to eliminate duplicates Z: 18 12.550 1.803 0.847 0.453 0.882 0.647 CB 1.087 25 residues pruned to eliminate duplicates Z: 6 7.975 1.682 0.755 0.670 0.800 0.800 CB 1.290 Z: 8 11.439 1.605 0.659 0.913 1.000 1.000 CA 1.150 8 residues pruned to eliminate duplicates Z: 17 10.165 1.707 0.608 0.481 0.812 0.562 CB 1.161 17 residues pruned to eliminate duplicates Z: 7 3.818 1.394 0.702 0.355 0.833 0.333 CB 0.922 Z: 9 6.884 1.895 0.495 0.332 0.875 0.500 CB 1.180 Z: 7 5.638 1.860 0.327 0.745 0.667 0.667 CB 1.124 7 residues pruned to eliminate duplicates Z: 7 4.780 1.593 0.414 0.658 0.667 0.667 N 1.123 Z: 15 11.648 1.628 0.573 0.838 1.000 0.714 CB 0.908 15 residues pruned to eliminate duplicates Z: 13 19.592 1.893 0.567 0.845 1.000 0.917 CA 1.417 13 residues pruned to eliminate duplicates Z: 20 13.144 1.757 0.906 0.486 0.895 0.632 CA 1.020 18 residues pruned to eliminate duplicates Z: 8 13.013 1.689 1.302 0.761 0.857 0.857 CB 1.171 10 residues pruned to eliminate duplicates Z: 7 2.110 1.552 0.532 0.475 1.000 0.500 CB 0.371 Z: 10 9.117 1.645 0.679 0.647 0.778 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 16 16.732 1.832 0.416 0.811 1.000 0.667 CA 1.271 26 residues pruned to eliminate duplicates 8 1.799 1.254 0.522 0.203 0.714 0.429 CB 0.710 ? Z: 16 17.209 1.705 0.831 0.826 1.000 0.733 CB 1.073 16 residues pruned to eliminate duplicates Z: 13 13.000 1.600 0.509 0.843 0.917 0.833 CB 1.262 13 residues pruned to eliminate duplicates Z: 15 13.388 1.566 0.775 0.861 0.929 0.714 CB 1.018 15 residues pruned to eliminate duplicates Z: 13 10.668 1.529 0.622 0.656 0.917 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 22 15.847 1.776 0.513 0.818 0.905 0.571 CB 1.080 23 residues pruned to eliminate duplicates Z: 14 9.866 1.625 0.343 0.858 0.923 0.769 CB 1.000 18 residues pruned to eliminate duplicates Z: 15 14.763 1.725 0.441 0.864 1.000 1.000 CA 1.163 15 residues pruned to eliminate duplicates Z: 8 7.653 1.527 0.246 0.863 1.000 0.857 CB 1.116 6 residues pruned to eliminate duplicates Z: 6 4.099 1.577 0.047 0.428 1.000 0.600 N 1.197 Z: 16 15.649 1.747 0.421 0.846 1.000 0.667 CA 1.209 16 residues pruned to eliminate duplicates Z: 7 3.570 1.596 0.592 0.514 1.000 0.500 CB 0.566 Z: 11 3.642 1.494 0.468 0.296 0.700 0.400 CB 0.943 11 residues pruned to eliminate duplicates Z: 16 12.717 1.616 0.474 0.873 1.000 0.667 CA 1.004 16 residues pruned to eliminate duplicates Z: 8 6.995 1.648 0.555 0.712 0.857 0.714 CA 0.993 Z: 12 18.771 1.746 0.607 0.890 1.000 0.909 N 1.451 12 residues pruned to eliminate duplicates Z: 15 12.315 1.611 0.434 0.810 1.000 0.786 CB 1.088 14 residues pruned to eliminate duplicates Z: 15 8.222 1.566 0.353 0.547 0.786 0.643 CB 1.260 16 residues pruned to eliminate duplicates Z: 14 17.702 1.725 0.893 0.886 0.923 0.769 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 13.087 1.706 0.509 0.875 1.000 0.727 CB 1.115 12 residues pruned to eliminate duplicates Z: 13 10.644 1.606 0.660 0.655 0.833 0.750 N 1.197 11 residues pruned to eliminate duplicates Z: 25 14.133 1.694 0.504 0.571 0.917 0.667 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 18.085 1.818 0.425 0.886 1.000 0.923 CB 1.396 14 residues pruned to eliminate duplicates Z: 14 10.302 1.680 0.457 0.537 1.000 0.615 CA 1.126 Z: 6 2.118 1.539 0.189 0.295 0.600 0.600 CB 1.085 Z: 13 10.850 1.630 0.451 0.838 0.917 0.750 CB 1.080 13 residues pruned to eliminate duplicates 6 1.533 1.501 0.785 0.866 1.000 0.800 CB 0.187 ? Z: 9 4.665 1.485 0.213 0.458 0.875 0.625 CB 1.093 Z: 6 2.979 1.387 0.113 0.513 0.800 0.600 CB 1.065 Z: 11 13.410 1.795 0.257 0.903 1.000 0.900 CA 1.339 11 residues pruned to eliminate duplicates Z: 39 17.777 1.718 0.520 0.534 0.895 0.763 CB 1.194 61 residues pruned to eliminate duplicates Z: 14 14.764 1.616 0.852 0.833 0.923 0.769 CA 1.112 14 residues pruned to eliminate duplicates Z: 9 6.713 1.648 1.199 0.273 0.750 0.500 CB 1.130 2 residues pruned to eliminate duplicates Z: 9 12.032 1.735 0.482 0.890 1.000 1.000 CB 1.190 9 residues pruned to eliminate duplicates Z: 14 12.604 1.884 0.746 0.371 0.846 0.385 CB 1.441 49 residues pruned to eliminate duplicates Z: 9 6.172 1.610 0.105 0.876 1.000 0.875 CA 0.892 9 residues pruned to eliminate duplicates Z: 7 2.500 1.508 0.164 0.250 0.667 0.500 CA 1.163 Z: 10 6.341 1.568 0.127 0.611 0.889 0.556 CB 1.210 9 residues pruned to eliminate duplicates Z: 18 12.569 1.668 0.770 0.716 0.765 0.529 CB 1.110 18 residues pruned to eliminate duplicates Z: 8 5.498 1.698 -0.027 0.756 0.857 0.714 N 1.168 Z: 16 12.903 1.623 0.320 0.870 1.000 0.867 CB 1.135 16 residues pruned to eliminate duplicates Z: 8 2.196 1.397 0.395 0.239 0.714 0.571 CB 0.807 Z: 40 14.668 1.602 0.652 0.370 0.872 0.513 CB 1.170 43 residues pruned to eliminate duplicates Z: 42 23.457 1.779 0.669 0.520 0.902 0.659 CB 1.342 42 residues pruned to eliminate duplicates Z: 20 11.366 1.567 0.744 0.499 0.842 0.632 CB 1.134 13 residues pruned to eliminate duplicates Z: 6 3.473 1.641 -0.219 0.840 1.000 0.800 CB 0.905 Z: 16 12.393 1.543 0.526 0.780 0.933 0.667 CB 1.137 16 residues pruned to eliminate duplicates Z: 12 15.915 1.945 0.511 0.859 1.000 0.909 CB 1.202 12 residues pruned to eliminate duplicates Z: 10 6.798 1.557 0.755 0.593 0.778 0.667 N 0.976 Z: 9 3.255 1.524 0.413 0.433 0.625 0.375 CB 0.917 Z: 15 10.916 1.763 0.576 0.500 0.786 0.571 CB 1.337 15 residues pruned to eliminate duplicates Z: 28 14.189 1.755 0.384 0.434 0.963 0.593 CA 1.249 28 residues pruned to eliminate duplicates Z: 13 11.973 1.817 0.732 0.786 0.833 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 7 5.368 1.753 0.026 0.682 0.833 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 17 13.639 1.549 0.747 0.719 0.938 0.562 CB 1.103 17 residues pruned to eliminate duplicates Z: 6 3.368 1.708 -0.347 0.877 1.000 1.000 CB 0.980 Z: 14 7.633 1.700 0.391 0.302 0.846 0.692 CB 1.320 14 residues pruned to eliminate duplicates Z: 38 19.334 1.684 0.660 0.472 0.892 0.459 CA 1.311 38 residues pruned to eliminate duplicates Z: 7 4.826 1.645 0.223 0.542 0.833 0.500 O 1.128 Z: 45 29.225 1.804 0.712 0.661 0.977 0.705 CA 1.257 42 residues pruned to eliminate duplicates Z: 14 23.773 1.851 0.863 0.938 1.000 1.000 CB 1.329 14 residues pruned to eliminate duplicates Z: 11 7.903 1.675 0.402 0.489 0.800 0.600 CB 1.344 11 residues pruned to eliminate duplicates Z: 8 6.954 1.572 0.484 0.741 1.000 0.429 CB 0.908 Z: 7 2.386 1.421 0.352 0.342 0.833 0.333 CB 0.722 Z: 13 9.960 1.511 0.511 0.839 0.917 0.667 CB 1.026 13 residues pruned to eliminate duplicates Z: 30 12.989 1.705 0.260 0.518 0.897 0.690 CB 1.231 30 residues pruned to eliminate duplicates Z: 14 16.152 1.686 0.955 0.846 0.923 0.692 CB 1.094 14 residues pruned to eliminate duplicates Z: 6 4.974 1.561 0.226 0.831 1.000 0.800 CB 0.873 6 residues pruned to eliminate duplicates Z: 55 20.171 1.721 0.609 0.488 0.852 0.556 CB 1.178 59 residues pruned to eliminate duplicates Z: 13 9.215 1.543 0.182 0.892 1.000 1.000 CB 1.049 13 residues pruned to eliminate duplicates Z: 20 12.260 1.726 0.678 0.764 0.789 0.579 CB 0.973 20 residues pruned to eliminate duplicates Z: 10 8.405 1.593 0.632 0.778 1.000 0.667 CA 0.843 10 residues pruned to eliminate duplicates Z: 16 16.278 1.712 0.833 0.848 0.867 0.533 CA 1.146 16 residues pruned to eliminate duplicates Z: 11 10.734 1.626 0.865 0.658 0.800 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 11 14.921 1.774 0.435 0.862 1.000 0.700 CA 1.360 11 residues pruned to eliminate duplicates Z: 16 19.197 1.671 0.909 0.805 1.000 0.733 CA 1.190 16 residues pruned to eliminate duplicates Z: 9 11.132 1.682 0.745 0.870 0.875 0.250 CB 1.118 9 residues pruned to eliminate duplicates Z: 8 5.529 1.338 0.204 0.852 1.000 0.714 N 0.960 8 residues pruned to eliminate duplicates Z: 7 4.094 1.602 0.497 0.410 0.833 0.333 CB 0.919 Z: 17 11.801 1.723 0.598 0.452 0.938 0.625 CB 1.201 17 residues pruned to eliminate duplicates Z: 20 12.214 1.722 0.626 0.553 0.842 0.579 CB 1.129 20 residues pruned to eliminate duplicates Z: 12 14.950 1.769 0.663 0.695 0.909 0.909 CA 1.410 12 residues pruned to eliminate duplicates Z: 12 4.098 1.622 0.086 0.456 0.909 0.545 CB 0.807 12 residues pruned to eliminate duplicates Z: 18 14.404 1.744 0.562 0.631 0.941 0.824 CB 1.205 18 residues pruned to eliminate duplicates Z: 12 14.069 1.932 0.413 0.812 0.909 0.818 CB 1.304 12 residues pruned to eliminate duplicates Z: 11 11.402 1.763 0.487 0.598 1.000 0.800 CA 1.253 9 residues pruned to eliminate duplicates 8 1.913 1.366 0.325 0.212 0.571 0.429 CB 0.983 ? Z: 12 12.041 1.622 0.535 0.838 1.000 0.727 CB 1.089 12 residues pruned to eliminate duplicates Z: 9 9.030 1.618 0.749 0.843 0.875 0.625 CB 0.960 Z: 16 11.855 1.609 0.527 0.742 0.800 0.600 CB 1.254 16 residues pruned to eliminate duplicates Z: 13 11.300 1.674 0.664 0.771 0.917 0.917 CB 1.005 12 residues pruned to eliminate duplicates Z: 9 4.228 1.640 0.054 0.660 1.000 0.750 CB 0.746 4 residues pruned to eliminate duplicates Z: 9 7.904 1.579 0.629 0.773 0.625 0.500 N 1.366 9 residues pruned to eliminate duplicates Z: 8 11.333 1.720 0.392 0.840 1.000 1.000 N 1.335 9 residues pruned to eliminate duplicates Z: 35 19.643 1.678 0.551 0.611 1.000 0.706 CB 1.165 9 residues pruned to eliminate duplicates Z: 17 8.667 1.575 0.248 0.763 0.938 0.438 CB 0.932 17 residues pruned to eliminate duplicates Z: 17 10.537 1.488 0.632 0.805 0.938 0.562 CB 0.887 17 residues pruned to eliminate duplicates Z: 8 15.356 1.779 1.290 0.894 1.000 1.000 CB 1.022 Z: 9 6.879 1.662 0.319 0.585 1.000 0.750 CB 1.023 9 residues pruned to eliminate duplicates Z: 18 6.632 1.577 0.601 0.405 0.824 0.471 CB 0.855 18 residues pruned to eliminate duplicates Z: 6 7.972 1.605 1.117 0.787 1.000 1.000 N 0.815 Z: 13 13.151 1.737 0.595 0.738 0.917 0.750 CA 1.208 13 residues pruned to eliminate duplicates Z: 21 12.931 1.709 0.881 0.499 0.800 0.550 CB 1.126 21 residues pruned to eliminate duplicates Z: 23 15.550 1.655 0.496 0.612 1.000 0.636 CB 1.204 25 residues pruned to eliminate duplicates Z: 14 12.277 1.657 0.636 0.869 1.000 0.692 CB 0.917 14 residues pruned to eliminate duplicates Z: 30 10.004 1.559 0.511 0.458 0.793 0.448 CB 1.038 43 residues pruned to eliminate duplicates Z: 13 23.046 1.787 1.049 0.832 1.000 0.833 N 1.364 13 residues pruned to eliminate duplicates Z: 12 10.682 1.685 0.455 0.893 1.000 1.000 CB 0.943 12 residues pruned to eliminate duplicates Z: 22 11.941 1.772 0.461 0.522 0.905 0.667 CB 1.088 22 residues pruned to eliminate duplicates Z: 9 8.767 1.663 0.461 0.577 0.875 0.625 CB 1.354 6 residues pruned to eliminate duplicates Z: 11 12.356 1.894 0.264 0.908 1.000 0.900 CA 1.159 11 residues pruned to eliminate duplicates Z: 16 14.869 1.570 0.505 0.813 0.933 0.667 CA 1.326 16 residues pruned to eliminate duplicates 6 1.755 1.446 0.935 0.492 0.600 0.600 CB 0.471 ? Z: 9 4.877 1.453 0.635 0.574 0.750 0.500 CA 0.901 9 residues pruned to eliminate duplicates Z: 11 10.513 1.615 0.673 0.771 0.900 0.600 CB 1.075 11 residues pruned to eliminate duplicates Z: 9 13.183 1.639 0.915 0.672 0.875 0.625 N 1.448 8 residues pruned to eliminate duplicates Z: 12 10.590 1.677 0.221 0.858 1.000 0.909 CB 1.148 12 residues pruned to eliminate duplicates Z: 10 4.612 1.504 0.185 0.759 0.667 0.556 CB 1.028 10 residues pruned to eliminate duplicates Z: 14 25.440 1.850 0.888 0.936 1.000 1.000 CA 1.407 14 residues pruned to eliminate duplicates Z: 17 11.298 1.536 0.456 0.856 1.000 0.812 CB 0.932 14 residues pruned to eliminate duplicates Z: 8 5.906 1.693 0.126 0.758 0.857 0.571 N 1.086 8 residues pruned to eliminate duplicates Z: 9 4.677 1.536 0.272 0.554 0.750 0.500 CB 1.070 Z: 12 10.671 1.570 0.562 0.894 1.000 0.909 CB 0.941 12 residues pruned to eliminate duplicates Z: 13 8.669 1.536 0.073 0.848 1.000 0.750 CB 1.126 13 residues pruned to eliminate duplicates Z: 12 10.991 1.731 0.733 0.481 0.909 0.636 CA 1.239 14 residues pruned to eliminate duplicates Z: 14 14.254 1.897 0.757 0.718 0.846 0.769 CB 1.151 15 residues pruned to eliminate duplicates Z: 17 10.242 1.709 0.670 0.474 0.875 0.750 CB 1.053 17 residues pruned to eliminate duplicates Z: 12 11.131 1.600 0.537 0.884 1.000 0.818 CB 0.986 12 residues pruned to eliminate duplicates Z: 6 4.468 1.073 0.856 0.662 1.000 1.000 CA 0.864 Z: 15 10.545 1.597 0.307 0.801 0.929 0.571 CB 1.118 23 residues pruned to eliminate duplicates Z: 11 3.084 1.444 0.374 0.286 0.700 0.400 CB 0.893 Z: 8 7.829 1.669 0.023 0.704 1.000 0.714 O 1.440 7 residues pruned to eliminate duplicates Z: 10 12.230 1.682 0.804 0.735 0.889 0.889 CB 1.224 10 residues pruned to eliminate duplicates Z: 6 5.687 1.670 -0.060 0.834 1.000 0.800 CB 1.215 6 residues pruned to eliminate duplicates Z: 11 8.680 1.482 0.706 0.820 1.000 0.800 CB 0.823 11 residues pruned to eliminate duplicates Z: 50 32.205 1.827 0.632 0.673 0.980 0.755 CB 1.342 54 residues pruned to eliminate duplicates Z: 20 9.746 1.661 0.517 0.421 0.895 0.474 CB 1.077 20 residues pruned to eliminate duplicates Z: 18 8.138 1.523 0.386 0.407 0.824 0.588 CA 1.253 23 residues pruned to eliminate duplicates Z: 15 11.848 1.535 0.712 0.839 0.929 0.643 CB 0.969 15 residues pruned to eliminate duplicates Z: 8 3.732 1.701 0.111 0.213 0.857 0.286 N 1.221 8 residues pruned to eliminate duplicates Z: 21 8.432 1.562 0.393 0.472 0.750 0.650 CB 1.189 21 residues pruned to eliminate duplicates Z: 19 12.944 1.603 0.550 0.606 0.889 0.611 CB 1.248 19 residues pruned to eliminate duplicates Z: 6 3.682 1.736 0.083 0.507 0.800 0.400 N 1.087 Z: 13 7.326 1.476 0.630 0.502 0.833 0.750 N 1.054 13 residues pruned to eliminate duplicates Z: 7 6.558 1.675 0.529 0.555 0.833 0.833 CA 1.190 Z: 8 7.360 1.503 0.525 0.757 0.857 0.714 CB 1.127 8 residues pruned to eliminate duplicates Z: 40 16.561 1.734 0.476 0.551 0.846 0.667 CB 1.165 48 residues pruned to eliminate duplicates Z: 12 14.735 1.654 0.564 0.899 1.000 0.727 CB 1.228 15 residues pruned to eliminate duplicates Z: 15 13.524 1.549 0.800 0.786 0.929 0.714 CB 1.085 15 residues pruned to eliminate duplicates Z: 6 4.170 1.400 0.766 0.750 1.000 0.800 CA 0.603 Z: 7 3.524 1.558 0.058 0.631 0.833 0.667 CB 0.926 5 residues pruned to eliminate duplicates Z: 51 22.949 1.727 0.536 0.570 0.980 0.640 CB 1.167 39 residues pruned to eliminate duplicates Z: 12 5.043 1.722 0.591 0.311 0.727 0.545 CB 0.941 12 residues pruned to eliminate duplicates Z: 10 5.038 1.592 0.323 0.771 0.667 0.333 N 0.941 8 residues pruned to eliminate duplicates 7 1.524 1.424 0.319 0.249 0.500 0.500 CB 0.884 ? Z: 21 12.750 1.590 0.609 0.515 0.950 0.400 CB 1.155 21 residues pruned to eliminate duplicates Z: 17 10.032 1.679 0.614 0.386 0.875 0.562 CA 1.195 12 residues pruned to eliminate duplicates Z: 8 3.842 1.386 0.381 0.857 0.857 0.429 CB 0.652 8 residues pruned to eliminate duplicates Z: 15 14.244 1.560 0.897 0.810 0.857 0.643 CA 1.146 15 residues pruned to eliminate duplicates Z: 7 6.581 1.489 0.613 0.684 0.833 0.667 CA 1.134 Z: 12 4.103 1.571 0.707 0.257 0.727 0.364 CB 0.838 Z: 6 2.565 1.316 1.217 0.426 0.600 0.400 CB 0.707 Z: 9 10.205 1.611 0.283 0.802 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 10 14.618 1.498 1.014 0.840 1.000 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 22 12.826 1.640 0.571 0.591 0.905 0.619 CB 1.100 22 residues pruned to eliminate duplicates Z: 6 2.048 1.475 0.047 0.353 0.600 0.400 N 1.160 Z: 12 6.236 1.501 0.608 0.271 0.909 0.545 CB 1.112 6 residues pruned to eliminate duplicates Z: 16 16.768 1.822 0.597 0.804 1.000 0.667 CA 1.141 16 residues pruned to eliminate duplicates Z: 36 13.456 1.651 0.476 0.459 0.857 0.457 CB 1.135 36 residues pruned to eliminate duplicates Z: 8 9.253 1.693 0.122 0.833 1.000 0.857 CB 1.381 8 residues pruned to eliminate duplicates Z: 16 15.588 1.706 0.495 0.845 0.933 0.733 CA 1.257 16 residues pruned to eliminate duplicates Z: 9 12.676 1.744 0.575 0.885 1.000 1.000 CB 1.178 9 residues pruned to eliminate duplicates Z: 13 12.648 1.778 0.682 0.540 0.917 0.750 CA 1.280 13 residues pruned to eliminate duplicates Z: 8 2.181 1.276 0.401 0.675 0.857 0.429 CB 0.458 Z: 20 16.686 1.780 0.665 0.493 0.947 0.684 CA 1.373 20 residues pruned to eliminate duplicates Z: 13 12.241 1.709 0.607 0.661 1.000 0.917 CB 1.108 13 residues pruned to eliminate duplicates Z: 10 11.364 1.942 0.117 0.878 1.000 0.778 CA 1.268 10 residues pruned to eliminate duplicates Z: 19 14.862 1.715 0.453 0.862 0.944 0.722 CB 1.093 19 residues pruned to eliminate duplicates Z: 11 9.458 1.712 0.890 0.597 0.900 0.700 CA 0.936 11 residues pruned to eliminate duplicates Z: 40 23.573 1.787 0.587 0.589 0.949 0.667 CB 1.288 40 residues pruned to eliminate duplicates Z: 27 15.718 1.663 0.588 0.523 0.962 0.654 CB 1.187 27 residues pruned to eliminate duplicates Z: 9 6.558 1.480 0.229 0.888 1.000 0.875 CB 0.918 Z: 13 7.188 1.574 0.412 0.719 0.750 0.417 CB 1.021 13 residues pruned to eliminate duplicates Z: 30 8.807 1.543 0.687 0.374 0.724 0.517 CB 0.992 81 residues pruned to eliminate duplicates Z: 27 22.093 1.749 0.918 0.767 0.885 0.731 CB 1.153 28 residues pruned to eliminate duplicates Z: 21 9.765 1.634 0.618 0.458 0.800 0.600 CA 1.077 21 residues pruned to eliminate duplicates Z: 11 7.714 1.598 0.424 0.553 0.900 0.700 CA 1.131 11 residues pruned to eliminate duplicates Z: 8 8.971 1.742 0.542 0.518 1.000 0.571 CA 1.241 8 residues pruned to eliminate duplicates Z: 7 3.341 1.571 0.367 0.733 1.000 0.500 CB 0.515 7 residues pruned to eliminate duplicates Z: 7 2.562 1.293 0.690 0.240 0.667 0.500 N 0.970 Z: 11 3.502 1.511 0.268 0.606 0.800 0.500 CB 0.653 Z: 8 5.360 1.701 0.311 0.452 0.857 0.429 CB 1.113 9 residues pruned to eliminate duplicates Z: 8 9.022 1.573 0.558 0.816 1.000 0.714 N 1.058 8 residues pruned to eliminate duplicates Z: 11 6.367 1.523 0.237 0.588 0.900 0.600 CB 1.091 20 residues pruned to eliminate duplicates Z: 8 11.287 1.499 0.735 0.905 1.000 0.714 N 1.168 8 residues pruned to eliminate duplicates Z: 11 8.782 1.791 0.710 0.518 0.800 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 12 4.363 1.452 0.172 0.364 0.909 0.636 N 0.983 Z: 10 2.385 1.399 0.021 0.418 0.889 0.444 CB 0.682 Z: 13 12.166 1.666 0.316 0.864 1.000 0.833 CB 1.174 13 residues pruned to eliminate duplicates Z: 14 19.713 1.680 0.991 0.870 1.000 0.692 CB 1.193 14 residues pruned to eliminate duplicates Z: 11 9.273 1.580 0.399 0.833 0.900 0.800 CB 1.105 11 residues pruned to eliminate duplicates 6 1.653 1.530 0.325 0.326 1.000 0.600 CB 0.442 ? Z: 6 5.018 1.399 0.969 0.590 0.800 0.600 N 0.935 Z: 28 16.890 1.737 0.540 0.597 0.926 0.630 CB 1.196 28 residues pruned to eliminate duplicates Z: 6 3.811 1.637 -0.209 0.865 1.000 0.800 CB 0.964 6 residues pruned to eliminate duplicates Z: 6 3.732 1.347 0.610 0.508 0.800 0.600 N 0.954 Z: 17 8.715 1.621 0.416 0.439 0.875 0.688 CB 1.154 17 residues pruned to eliminate duplicates Z: 18 11.650 1.658 0.344 0.505 1.000 0.706 CB 1.262 18 residues pruned to eliminate duplicates Z: 18 13.392 1.653 0.620 0.561 1.000 0.647 CA 1.143 18 residues pruned to eliminate duplicates Z: 14 4.035 1.651 0.115 0.358 0.615 0.615 CB 1.151 8 residues pruned to eliminate duplicates Z: 12 4.845 1.457 0.348 0.444 0.909 0.727 CB 0.868 6 residues pruned to eliminate duplicates Z: 11 18.115 1.735 0.648 0.862 1.000 0.800 CA 1.471 11 residues pruned to eliminate duplicates Z: 8 5.336 1.498 0.567 0.409 1.000 0.571 CA 0.946 8 residues pruned to eliminate duplicates Z: 9 10.982 1.665 0.724 0.795 0.875 0.750 N 1.194 9 residues pruned to eliminate duplicates Z: 14 5.576 1.461 0.440 0.437 0.846 0.615 CB 0.928 14 residues pruned to eliminate duplicates Z: 6 2.750 1.568 0.500 0.420 0.600 0.400 CB 0.948 Z: 13 12.969 1.732 0.673 0.876 0.917 0.750 CB 1.024 13 residues pruned to eliminate duplicates Z: 9 4.321 1.525 0.239 0.526 0.875 0.500 CB 0.901 Z: 8 4.323 1.580 0.313 0.857 0.857 0.857 CB 0.677 7 residues pruned to eliminate duplicates Z: 16 18.634 1.761 0.535 0.863 1.000 0.800 CB 1.306 16 residues pruned to eliminate duplicates Z: 13 4.764 1.469 0.373 0.531 0.833 0.500 CB 0.793 Z: 12 13.470 1.726 0.393 0.863 0.909 0.727 CB 1.363 12 residues pruned to eliminate duplicates 6 1.226 1.435 0.451 0.134 0.600 0.200 CB 0.692 ? Z: 8 6.356 1.509 0.689 0.787 0.857 0.571 CB 0.855 Z: 15 16.060 1.733 0.545 0.808 1.000 0.571 CB 1.225 15 residues pruned to eliminate duplicates Z: 8 2.771 1.590 0.402 0.810 0.857 0.571 CB 0.419 Z: 11 10.171 1.629 0.802 0.619 0.900 0.500 CA 1.088 11 residues pruned to eliminate duplicates Z: 6 3.399 1.535 0.427 0.762 1.000 1.000 CB 0.550 Z: 6 3.022 1.342 0.240 0.294 1.000 0.600 N 1.023 Z: 14 4.155 1.564 0.526 0.245 0.769 0.538 CB 0.843 9 residues pruned to eliminate duplicates 7 1.418 1.394 0.464 0.705 0.833 0.667 CB 0.282 ? Z: 6 3.994 1.259 0.450 0.734 0.800 0.600 CB 0.991 Z: 22 11.521 1.762 0.303 0.468 0.952 0.619 CB 1.189 22 residues pruned to eliminate duplicates Z: 34 17.167 1.707 0.454 0.509 0.909 0.606 CB 1.312 34 residues pruned to eliminate duplicates Z: 8 3.206 1.523 0.320 0.758 0.857 0.571 CB 0.559 6 residues pruned to eliminate duplicates Z: 6 4.408 1.576 0.406 0.640 0.800 0.400 CB 0.976 Z: 10 3.574 1.429 0.096 0.407 0.778 0.667 CB 1.078 10 residues pruned to eliminate duplicates Z: 9 6.948 1.886 0.302 0.538 0.875 0.875 CB 1.102 9 residues pruned to eliminate duplicates Z: 13 4.528 1.579 0.357 0.462 0.750 0.500 CB 0.845 13 residues pruned to eliminate duplicates Z: 21 9.006 1.474 0.346 0.817 0.850 0.750 CB 0.907 29 residues pruned to eliminate duplicates Z: 11 4.967 1.523 0.316 0.389 1.000 0.500 CB 0.881 Z: 17 12.190 1.677 0.385 0.829 1.000 0.750 CA 0.987 17 residues pruned to eliminate duplicates Z: 59 34.056 1.875 0.617 0.638 0.983 0.793 CA 1.318 59 residues pruned to eliminate duplicates Z: 12 2.290 1.438 0.223 0.171 0.545 0.182 CB 1.072 Z: 8 11.236 1.710 0.531 0.777 1.000 0.857 N 1.270 8 residues pruned to eliminate duplicates Z: 7 5.737 1.460 0.927 0.515 0.833 0.667 N 0.984 7 residues pruned to eliminate duplicates Z: 19 13.511 1.788 0.346 0.601 0.944 0.889 CB 1.273 19 residues pruned to eliminate duplicates Z: 12 15.378 1.862 0.616 0.791 0.909 0.455 CB 1.313 12 residues pruned to eliminate duplicates Z: 6 2.533 1.419 0.203 0.376 0.800 0.800 CB 0.947 Z: 8 4.403 1.633 0.370 0.737 0.857 0.429 CB 0.702 8 residues pruned to eliminate duplicates Z: 7 3.639 1.721 -0.053 0.346 0.833 0.167 CB 1.292 7 residues pruned to eliminate duplicates Z: 13 9.278 1.601 0.635 0.541 0.833 0.750 CB 1.179 12 residues pruned to eliminate duplicates Z: 56 22.936 1.774 0.784 0.461 0.855 0.564 CB 1.190 31 residues pruned to eliminate duplicates Z: 10 6.149 1.665 -0.013 0.752 1.000 0.889 CB 0.996 Z: 16 20.335 1.752 0.716 0.846 1.000 0.667 CA 1.297 16 residues pruned to eliminate duplicates Z: 12 13.241 1.677 0.742 0.719 0.909 0.727 CA 1.233 16 residues pruned to eliminate duplicates Z: 15 10.700 1.512 0.503 0.809 1.000 0.786 CB 0.961 13 residues pruned to eliminate duplicates Z: 10 8.391 1.672 0.541 0.885 1.000 0.778 CB 0.784 Z: 7 5.066 1.679 0.277 0.804 0.667 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 10 5.071 1.366 1.072 0.320 0.778 0.444 CB 0.937 Z: 8 2.699 1.433 0.279 0.325 0.714 0.429 N 0.944 7 residues pruned to eliminate duplicates Z: 13 3.656 1.448 0.320 0.230 0.750 0.500 CB 1.008 10 residues pruned to eliminate duplicates Z: 15 13.969 1.692 0.641 0.852 1.000 0.857 CB 0.994 15 residues pruned to eliminate duplicates Z: 10 7.476 1.685 0.757 0.323 0.889 0.778 CA 1.150 12 residues pruned to eliminate duplicates 6 1.399 1.422 0.337 0.229 0.400 0.200 CA 1.128 ? Z: 9 4.557 1.448 0.855 0.299 0.625 0.500 N 1.201 7 residues pruned to eliminate duplicates Z: 6 3.264 1.484 0.088 0.693 1.000 0.600 CB 0.758 Z: 9 10.187 1.667 0.251 0.767 1.000 0.875 CB 1.364 19 residues pruned to eliminate duplicates Z: 7 7.905 1.653 0.228 0.863 1.000 0.833 CB 1.167 5 residues pruned to eliminate duplicates Z: 23 9.790 1.581 0.335 0.559 0.864 0.636 CB 1.081 Z: 13 5.386 1.523 0.222 0.566 0.917 0.583 CB 0.855 Z: 24 16.338 1.808 0.564 0.630 0.870 0.565 CB 1.226 24 residues pruned to eliminate duplicates Z: 9 4.625 1.482 0.133 0.668 0.875 0.750 CB 0.953 9 residues pruned to eliminate duplicates Z: 8 2.071 1.436 0.487 0.214 0.429 0.429 O 1.197 Z: 12 6.931 1.666 0.376 0.542 0.818 0.727 CB 1.069 Z: 12 10.135 1.749 0.420 0.488 0.909 0.455 CB 1.370 12 residues pruned to eliminate duplicates Z: 15 12.045 1.635 0.490 0.800 0.929 0.643 CB 1.095 15 residues pruned to eliminate duplicates Z: 28 14.694 1.649 0.805 0.465 0.852 0.556 CA 1.156 28 residues pruned to eliminate duplicates Z: 7 6.715 1.559 0.689 0.805 0.667 0.500 CA 1.196 7 residues pruned to eliminate duplicates Z: 7 2.602 1.533 -0.039 0.386 1.000 0.333 CB 0.813 Z: 7 2.170 1.331 0.093 0.433 0.833 0.667 CA 0.783 Z: 22 10.429 1.551 0.517 0.593 0.905 0.667 CB 0.978 22 residues pruned to eliminate duplicates Z: 8 4.149 1.463 0.145 0.705 0.857 0.571 N 0.907 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 11.621 1.652 0.524 0.638 0.923 0.846 CA 1.219 14 residues pruned to eliminate duplicates Z: 12 13.513 1.678 0.708 0.645 1.000 0.818 CA 1.241 12 residues pruned to eliminate duplicates Z: 26 22.831 1.759 0.785 0.636 0.880 0.800 N 1.454 28 residues pruned to eliminate duplicates Z: 12 18.406 1.825 0.920 0.818 0.909 0.818 CA 1.321 12 residues pruned to eliminate duplicates Z: 89 35.734 1.724 0.623 0.584 0.966 0.693 CA 1.301 110 residues pruned to eliminate duplicates Z: 15 14.015 1.721 0.833 0.651 0.929 0.714 N 1.112 15 residues pruned to eliminate duplicates Z: 14 18.146 1.806 0.914 0.670 0.923 0.615 N 1.349 14 residues pruned to eliminate duplicates Z: 21 20.502 1.833 0.762 0.718 0.950 0.550 CB 1.227 21 residues pruned to eliminate duplicates Z: 13 17.160 1.849 0.679 0.675 1.000 0.583 CA 1.358 13 residues pruned to eliminate duplicates Z: 21 12.285 1.693 0.604 0.549 0.800 0.500 CB 1.206 21 residues pruned to eliminate duplicates Z: 18 10.311 1.701 0.296 0.633 0.882 0.353 CB 1.135 18 residues pruned to eliminate duplicates Z: 35 19.870 1.739 0.456 0.700 0.912 0.676 CB 1.231 25 residues pruned to eliminate duplicates Z: 22 22.466 1.715 0.561 0.848 1.000 0.714 CB 1.358 22 residues pruned to eliminate duplicates Z: 8 4.976 1.549 0.091 0.785 1.000 0.571 CB 0.866 8 residues pruned to eliminate duplicates Z: 11 11.708 1.614 0.668 0.768 1.000 0.600 CB 1.085 11 residues pruned to eliminate duplicates Z: 11 9.738 1.715 0.440 0.688 1.000 0.500 CB 1.049 11 residues pruned to eliminate duplicates Z: 9 10.956 1.761 0.491 0.779 1.000 0.750 CB 1.153 9 residues pruned to eliminate duplicates Z: 10 12.249 1.780 0.471 0.774 1.000 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 15 10.894 1.624 0.446 0.733 0.929 0.786 CB 1.083 15 residues pruned to eliminate duplicates Z: 10 7.881 1.555 0.744 0.663 0.778 0.667 CA 1.072 10 residues pruned to eliminate duplicates Z: 10 10.208 1.782 0.333 0.763 0.889 0.667 CB 1.276 10 residues pruned to eliminate duplicates Z: 6 12.959 1.783 0.712 0.839 1.000 0.800 CA 1.418 6 residues pruned to eliminate duplicates Z: 20 12.941 1.677 0.455 0.632 0.947 0.579 CB 1.135 20 residues pruned to eliminate duplicates Z: 11 10.470 1.631 0.494 0.739 1.000 0.700 CA 1.097 11 residues pruned to eliminate duplicates Z: 12 5.540 1.593 0.931 0.233 0.727 0.545 N 1.018 15 residues pruned to eliminate duplicates Z: 6 4.680 1.569 0.822 0.365 0.800 0.600 CA 1.058 6 residues pruned to eliminate duplicates Z: 8 6.839 1.665 1.370 0.303 0.714 0.571 CA 1.142 8 residues pruned to eliminate duplicates Z: 8 7.425 1.896 1.059 0.251 0.714 0.429 CA 1.340 8 residues pruned to eliminate duplicates Z: 19 17.309 1.885 0.829 0.441 0.889 0.556 CB 1.416 19 residues pruned to eliminate duplicates Z: 19 19.387 1.909 0.775 0.501 0.944 0.667 CB 1.426 31 residues pruned to eliminate duplicates Z: 6 4.403 1.669 0.636 0.295 0.800 0.600 CB 1.134 6 residues pruned to eliminate duplicates Z: 14 14.428 1.796 0.658 0.582 1.000 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 22 16.438 1.767 0.611 0.486 0.952 0.667 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 14.773 1.805 0.798 0.501 0.850 0.800 CB 1.197 21 residues pruned to eliminate duplicates Z: 14 13.694 1.872 0.425 0.591 0.923 0.769 CB 1.414 14 residues pruned to eliminate duplicates Z: 13 14.852 1.884 0.525 0.639 1.000 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 7 5.116 1.668 1.057 0.297 0.833 0.500 N 0.917 7 residues pruned to eliminate duplicates Z: 7 5.012 1.774 0.624 0.326 0.833 0.333 N 1.032 7 residues pruned to eliminate duplicates Z: 6 8.420 1.805 1.360 0.355 1.000 0.600 CB 1.034 8 residues pruned to eliminate duplicates 6 1.654 1.346 0.783 0.174 0.800 0.400 CA 0.572 ? Z: 6 2.524 1.375 0.401 0.428 0.800 0.800 CA 0.789 6 residues pruned to eliminate duplicates Z: 19 13.635 1.808 0.748 0.520 0.833 0.667 CB 1.197 19 residues pruned to eliminate duplicates Z: 17 13.104 1.855 0.664 0.622 0.812 0.688 CB 1.164 17 residues pruned to eliminate duplicates Z: 12 20.262 1.981 0.814 0.770 0.909 0.909 CB 1.473 12 residues pruned to eliminate duplicates Z: 12 19.532 2.006 0.616 0.864 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 16.366 1.979 0.637 0.767 0.917 0.833 CB 1.256 13 residues pruned to eliminate duplicates Z: 14 12.302 1.889 0.466 0.701 0.923 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 46 22.106 1.788 0.561 0.553 0.956 0.644 CB 1.173 32 residues pruned to eliminate duplicates Z: 13 18.511 1.706 0.884 0.860 1.000 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 17 14.754 1.658 0.676 0.649 0.938 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 14 15.642 1.695 0.947 0.792 0.923 0.769 CB 1.102 14 residues pruned to eliminate duplicates Z: 14 16.720 1.717 0.792 0.737 0.923 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 51 23.565 1.765 0.646 0.551 0.900 0.620 CB 1.213 37 residues pruned to eliminate duplicates Z: 22 18.728 1.675 0.824 0.787 0.857 0.714 CA 1.212 13 residues pruned to eliminate duplicates Z: 15 16.189 1.635 0.908 0.842 0.929 0.714 CB 1.112 15 residues pruned to eliminate duplicates Z: 50 25.205 1.787 0.614 0.608 0.918 0.755 CB 1.227 50 residues pruned to eliminate duplicates Z: 25 22.178 1.872 0.802 0.745 0.875 0.792 CB 1.232 25 residues pruned to eliminate duplicates Z: 38 18.360 1.765 0.603 0.650 0.811 0.730 CB 1.144 38 residues pruned to eliminate duplicates Z: 14 16.036 1.690 0.910 0.753 0.923 0.769 CB 1.192 14 residues pruned to eliminate duplicates Z: 14 18.627 1.681 0.894 0.799 1.000 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 13 18.117 1.718 0.895 0.832 1.000 0.917 CA 1.206 13 residues pruned to eliminate duplicates Z: 10 6.763 1.555 0.593 0.725 0.778 0.444 CB 0.955 10 residues pruned to eliminate duplicates Z: 20 15.355 1.671 0.769 0.781 0.842 0.526 CB 1.104 20 residues pruned to eliminate duplicates Z: 11 10.083 1.756 0.610 0.665 0.800 0.300 CB 1.210 11 residues pruned to eliminate duplicates Z: 13 11.596 1.584 0.643 0.703 0.917 0.583 CB 1.166 13 residues pruned to eliminate duplicates Z: 10 14.575 1.810 0.421 0.831 1.000 0.778 CA 1.420 10 residues pruned to eliminate duplicates Z: 15 7.562 1.738 0.559 0.507 0.857 0.429 CB 0.864 15 residues pruned to eliminate duplicates Z: 19 9.133 1.650 0.643 0.411 0.778 0.500 CB 1.120 12 residues pruned to eliminate duplicates Z: 11 13.929 1.754 0.559 0.823 1.000 0.700 CB 1.217 11 residues pruned to eliminate duplicates Z: 12 10.209 1.680 0.475 0.735 0.909 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 9 7.520 1.814 1.015 0.239 0.875 0.500 CA 1.124 9 residues pruned to eliminate duplicates Z: 27 14.087 1.796 0.684 0.397 0.885 0.577 CA 1.152 27 residues pruned to eliminate duplicates Z: 18 7.567 1.647 0.889 0.160 0.706 0.294 CA 1.266 18 residues pruned to eliminate duplicates Z: 9 6.207 1.780 1.188 0.238 0.750 0.375 CB 1.018 9 residues pruned to eliminate duplicates Z: 9 7.093 1.747 1.282 0.233 0.875 0.375 CA 0.980 9 residues pruned to eliminate duplicates Z: 9 6.015 1.770 0.813 0.219 0.875 0.375 CB 1.054 9 residues pruned to eliminate duplicates Z: 13 5.388 1.714 0.839 0.219 0.750 0.333 CA 0.916 13 residues pruned to eliminate duplicates Z: 26 14.782 1.760 0.754 0.349 0.880 0.600 CA 1.282 26 residues pruned to eliminate duplicates Z: 19 13.441 1.669 0.667 0.483 0.944 0.667 CA 1.227 19 residues pruned to eliminate duplicates Z: 17 11.761 1.816 0.663 0.444 0.812 0.688 CB 1.269 17 residues pruned to eliminate duplicates Z: 17 14.008 1.821 0.561 0.441 0.938 0.625 CA 1.396 17 residues pruned to eliminate duplicates Z: 19 10.505 1.687 0.515 0.407 0.889 0.556 CB 1.202 19 residues pruned to eliminate duplicates Z: 14 10.129 1.734 0.591 0.491 0.846 0.692 CA 1.214 14 residues pruned to eliminate duplicates Z: 16 12.513 1.741 0.606 0.538 0.800 0.667 CA 1.392 16 residues pruned to eliminate duplicates Z: 26 13.936 1.714 0.610 0.433 0.880 0.640 CB 1.230 40 residues pruned to eliminate duplicates Z: 23 13.828 1.727 0.695 0.427 0.818 0.636 CB 1.328 23 residues pruned to eliminate duplicates Z: 19 14.429 1.785 0.664 0.455 0.889 0.500 CA 1.348 19 residues pruned to eliminate duplicates Z: 25 12.988 1.743 0.618 0.407 0.833 0.708 CB 1.244 25 residues pruned to eliminate duplicates Z: 27 16.090 1.792 0.662 0.431 0.962 0.500 CA 1.183 27 residues pruned to eliminate duplicates Z: 22 17.486 1.767 0.729 0.548 0.905 0.619 CA 1.317 22 residues pruned to eliminate duplicates Z: 31 18.568 1.747 0.746 0.441 0.933 0.567 CA 1.265 31 residues pruned to eliminate duplicates Z: 29 17.160 1.758 0.775 0.448 0.929 0.571 CA 1.181 29 residues pruned to eliminate duplicates Z: 35 20.462 1.811 0.582 0.636 0.853 0.735 CB 1.264 35 residues pruned to eliminate duplicates Z: 53 24.076 1.774 0.581 0.593 0.942 0.692 CA 1.155 53 residues pruned to eliminate duplicates Z: 34 22.937 1.764 0.826 0.684 0.939 0.788 CB 1.115 34 residues pruned to eliminate duplicates Z: 37 20.623 1.741 0.756 0.633 0.917 0.694 CB 1.082 37 residues pruned to eliminate duplicates Z: 28 20.093 1.768 0.746 0.682 0.926 0.741 CB 1.145 28 residues pruned to eliminate duplicates Z: 42 19.920 1.733 0.695 0.575 0.927 0.585 CB 1.063 42 residues pruned to eliminate duplicates Z: 51 26.871 1.783 0.626 0.620 0.980 0.740 CA 1.194 51 residues pruned to eliminate duplicates Z: 57 28.090 1.783 0.667 0.581 0.946 0.661 CB 1.235 57 residues pruned to eliminate duplicates Z: 26 18.217 1.699 0.977 0.664 0.840 0.680 CB 1.110 26 residues pruned to eliminate duplicates Z: 11 10.105 1.776 0.612 0.622 0.800 0.700 CA 1.244 11 residues pruned to eliminate duplicates Z: 11 9.783 1.745 0.543 0.621 0.900 0.700 CA 1.140 11 residues pruned to eliminate duplicates Z: 22 16.406 1.740 0.662 0.787 0.905 0.476 CB 1.063 22 residues pruned to eliminate duplicates Z: 43 22.524 1.724 0.759 0.613 0.952 0.714 CB 1.081 43 residues pruned to eliminate duplicates Z: 12 9.328 1.793 0.722 0.545 0.818 0.636 CB 1.066 12 residues pruned to eliminate duplicates Z: 12 9.026 1.698 0.712 0.580 0.818 0.455 CB 1.059 12 residues pruned to eliminate duplicates Z: 61 26.149 1.803 0.521 0.589 0.900 0.633 CB 1.256 51 residues pruned to eliminate duplicates Z: 7 10.520 1.928 0.317 0.765 1.000 0.667 CA 1.337 8 residues pruned to eliminate duplicates Z: 15 13.893 1.746 0.479 0.744 0.929 0.571 CA 1.244 16 residues pruned to eliminate duplicates Z: 16 14.082 1.645 0.577 0.716 1.000 0.600 CA 1.153 16 residues pruned to eliminate duplicates Z: 40 25.428 1.737 0.720 0.691 0.974 0.538 CB 1.174 40 residues pruned to eliminate duplicates Z: 23 14.188 1.795 0.608 0.539 0.864 0.545 CA 1.167 23 residues pruned to eliminate duplicates Z: 40 27.362 1.779 0.681 0.700 1.000 0.718 CA 1.220 40 residues pruned to eliminate duplicates Z: 57 28.884 1.792 0.722 0.622 0.946 0.607 CB 1.178 57 residues pruned to eliminate duplicates Z: 23 14.611 1.797 0.489 0.489 1.000 0.682 CA 1.176 23 residues pruned to eliminate duplicates Z: 24 16.560 1.806 0.584 0.550 1.000 0.739 CA 1.149 24 residues pruned to eliminate duplicates Z: 39 18.826 1.805 0.460 0.549 0.895 0.658 CA 1.235 39 residues pruned to eliminate duplicates Z: 51 22.339 1.791 0.499 0.585 0.880 0.700 CA 1.233 51 residues pruned to eliminate duplicates Z: 19 12.898 1.817 0.658 0.556 0.944 0.722 CA 1.011 19 residues pruned to eliminate duplicates Z: 58 27.553 1.784 0.667 0.601 0.895 0.614 CB 1.246 58 residues pruned to eliminate duplicates Z: 32 19.518 1.816 0.523 0.562 0.935 0.710 CA 1.276 32 residues pruned to eliminate duplicates Z: 17 10.851 1.823 0.507 0.521 0.938 0.625 CA 1.032 17 residues pruned to eliminate duplicates Z: 24 16.209 1.822 0.611 0.512 0.957 0.652 CA 1.190 24 residues pruned to eliminate duplicates Z: 37 15.835 1.769 0.409 0.479 0.861 0.639 CA 1.256 37 residues pruned to eliminate duplicates Z: 25 15.065 1.802 0.546 0.531 0.917 0.708 CA 1.168 25 residues pruned to eliminate duplicates Z: 26 14.501 1.763 0.467 0.501 0.920 0.560 CA 1.217 26 residues pruned to eliminate duplicates Z: 59 25.835 1.717 0.627 0.540 0.983 0.569 CB 1.188 33 residues pruned to eliminate duplicates Z: 7 4.026 1.381 0.223 0.348 1.000 0.167 CB 1.148 7 residues pruned to eliminate duplicates Z: 49 19.424 1.702 0.516 0.472 0.875 0.604 CA 1.277 49 residues pruned to eliminate duplicates Z: 13 11.969 1.845 0.447 0.493 1.000 0.667 CA 1.303 13 residues pruned to eliminate duplicates Z: 28 13.835 1.791 0.357 0.515 0.815 0.630 CA 1.325 28 residues pruned to eliminate duplicates Z: 39 22.208 1.781 0.579 0.596 0.947 0.684 CA 1.234 42 residues pruned to eliminate duplicates Z: 7 3.268 1.390 0.241 0.515 1.000 0.667 CA 0.762 7 residues pruned to eliminate duplicates Z: 48 23.550 1.771 0.604 0.560 0.915 0.681 CA 1.247 48 residues pruned to eliminate duplicates Z: 57 24.680 1.784 0.567 0.579 0.929 0.536 CB 1.177 57 residues pruned to eliminate duplicates Z: 17 10.684 1.694 0.617 0.495 0.812 0.500 CB 1.206 17 residues pruned to eliminate duplicates Z: 10 14.661 1.919 0.535 0.765 1.000 0.889 CB 1.311 10 residues pruned to eliminate duplicates Z: 25 21.662 1.891 0.495 0.741 0.958 0.833 CB 1.315 11 residues pruned to eliminate duplicates Z: 14 13.090 1.764 0.771 0.738 0.923 0.692 CB 1.017 14 residues pruned to eliminate duplicates Z: 12 12.313 1.884 0.636 0.707 0.909 0.636 CB 1.097 12 residues pruned to eliminate duplicates Z: 11 11.085 1.838 0.706 0.594 0.900 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 28 17.493 1.822 0.678 0.600 0.852 0.630 CB 1.176 28 residues pruned to eliminate duplicates Z: 35 18.743 1.760 0.709 0.579 0.912 0.647 CB 1.086 35 residues pruned to eliminate duplicates Z: 22 13.061 1.778 0.689 0.652 0.857 0.571 CB 0.961 13 residues pruned to eliminate duplicates Z: 13 13.299 1.839 0.486 0.768 0.917 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 14 12.716 1.811 0.682 0.615 0.846 0.538 CB 1.227 14 residues pruned to eliminate duplicates Z: 20 11.724 1.696 0.715 0.478 0.842 0.526 CB 1.123 20 residues pruned to eliminate duplicates Z: 14 16.638 1.865 0.980 0.694 0.846 0.769 CB 1.236 23 residues pruned to eliminate duplicates Z: 14 15.410 1.824 0.600 0.805 0.923 0.615 CB 1.216 14 residues pruned to eliminate duplicates Z: 22 11.998 1.736 0.364 0.573 0.857 0.571 CB 1.203 22 residues pruned to eliminate duplicates Z: 24 16.682 1.819 0.565 0.619 0.913 0.565 CB 1.196 14 residues pruned to eliminate duplicates Z: 22 20.408 1.864 0.637 0.697 0.952 0.667 CB 1.280 22 residues pruned to eliminate duplicates Z: 36 20.174 1.846 0.606 0.641 0.886 0.686 CB 1.138 36 residues pruned to eliminate duplicates Z: 15 7.298 1.662 0.520 0.537 0.857 0.571 CB 0.868 15 residues pruned to eliminate duplicates Z: 14 7.947 1.678 0.583 0.490 0.769 0.538 CB 1.089 14 residues pruned to eliminate duplicates Z: 11 6.049 1.751 0.507 0.589 0.800 0.500 CB 0.832 11 residues pruned to eliminate duplicates Z: 18 8.699 1.698 0.607 0.429 0.824 0.529 CB 1.011 14 residues pruned to eliminate duplicates Z: 11 5.574 1.499 0.549 0.805 0.800 0.600 CB 0.728 11 residues pruned to eliminate duplicates Z: 12 6.813 1.638 0.569 0.413 0.818 0.364 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 5.069 1.624 0.839 0.530 0.700 0.300 CB 0.744 11 residues pruned to eliminate duplicates Z: 24 16.765 1.764 0.709 0.600 0.870 0.391 CB 1.212 24 residues pruned to eliminate duplicates Z: 9 3.677 1.507 0.591 0.468 0.875 0.250 CB 0.640 9 residues pruned to eliminate duplicates Z: 15 6.772 1.606 0.602 0.492 0.786 0.286 CB 0.902 15 residues pruned to eliminate duplicates 6 1.895 1.627 0.125 0.100 0.800 0.400 CB 0.964 ? 7 1.598 1.606 0.544 0.145 0.500 0.167 CB 0.816 ? Z: 18 7.523 1.639 0.777 0.222 0.706 0.471 N 1.228 34 residues pruned to eliminate duplicates Z: 6 3.376 1.407 0.553 0.399 1.000 0.600 N 0.768 Z: 6 2.611 1.144 0.795 0.420 1.000 0.400 N 0.618 12 residues pruned to eliminate duplicates Z: 15 8.311 1.755 0.525 0.408 0.857 0.571 CB 1.066 15 residues pruned to eliminate duplicates Z: 10 6.589 1.758 0.627 0.322 0.778 0.556 CA 1.201 10 residues pruned to eliminate duplicates Z: 10 5.441 1.695 0.769 0.431 0.889 0.778 CA 0.731 10 residues pruned to eliminate duplicates Z: 19 9.570 1.656 0.793 0.454 0.778 0.556 CB 1.023 19 residues pruned to eliminate duplicates Z: 16 9.994 1.734 0.935 0.440 0.867 0.667 CA 0.944 16 residues pruned to eliminate duplicates Z: 12 7.576 1.751 0.504 0.624 1.000 0.727 CA 0.771 12 residues pruned to eliminate duplicates Z: 17 9.107 1.723 0.925 0.429 0.875 0.625 CA 0.844 17 residues pruned to eliminate duplicates Z: 10 6.411 1.725 0.893 0.696 1.000 0.778 CA 0.547 7 residues pruned to eliminate duplicates Z: 16 13.068 1.617 0.473 0.854 1.000 0.733 CB 1.046 16 residues pruned to eliminate duplicates Z: 26 14.405 1.595 0.696 0.569 0.880 0.480 CB 1.132 26 residues pruned to eliminate duplicates Z: 21 13.101 1.687 0.536 0.618 0.950 0.800 CB 1.065 21 residues pruned to eliminate duplicates Z: 15 9.398 1.492 0.613 0.491 0.929 0.500 CB 1.134 Z: 15 19.413 1.722 0.926 0.886 1.000 0.857 CB 1.128 30 residues pruned to eliminate duplicates Z: 32 16.663 1.698 0.496 0.622 0.903 0.677 CB 1.163 32 residues pruned to eliminate duplicates Z: 19 19.202 1.727 0.933 0.708 0.944 0.611 CB 1.188 19 residues pruned to eliminate duplicates Z: 12 10.088 1.614 0.731 0.551 1.000 0.818 CB 1.036 Z: 14 20.856 1.662 1.004 0.891 1.000 0.692 CB 1.248 26 residues pruned to eliminate duplicates Z: 25 8.718 1.573 0.507 0.374 0.917 0.417 CB 0.937 25 residues pruned to eliminate duplicates Z: 21 8.240 1.654 0.503 0.368 0.850 0.500 CB 1.005 21 residues pruned to eliminate duplicates Z: 32 13.896 1.633 0.705 0.412 0.839 0.516 CB 1.173 32 residues pruned to eliminate duplicates Z: 22 14.336 1.692 0.648 0.534 0.905 0.667 CB 1.199 22 residues pruned to eliminate duplicates Z: 17 14.534 1.786 0.724 0.480 1.000 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 13 6.857 1.635 0.649 0.437 0.917 0.333 CB 0.855 13 residues pruned to eliminate duplicates Z: 17 10.451 1.701 0.663 0.364 0.875 0.625 CB 1.223 17 residues pruned to eliminate duplicates Z: 11 6.852 1.733 0.453 0.339 0.900 0.200 CB 1.139 11 residues pruned to eliminate duplicates Z: 24 10.472 1.645 0.767 0.314 0.826 0.522 CB 1.117 24 residues pruned to eliminate duplicates Z: 32 14.499 1.731 0.489 0.457 0.903 0.516 CB 1.168 32 residues pruned to eliminate duplicates Z: 30 16.877 1.751 0.501 0.557 0.931 0.655 CB 1.211 30 residues pruned to eliminate duplicates Z: 31 16.455 1.690 0.590 0.582 0.933 0.667 CB 1.107 31 residues pruned to eliminate duplicates Z: 71 28.476 1.756 0.658 0.567 0.914 0.657 CB 1.198 71 residues pruned to eliminate duplicates Z: 15 14.596 1.658 0.646 0.804 1.000 0.571 CA 1.096 15 residues pruned to eliminate duplicates Z: 21 11.406 1.750 0.322 0.472 0.900 0.550 CB 1.260 21 residues pruned to eliminate duplicates Z: 21 10.716 1.771 0.268 0.462 0.900 0.600 CB 1.232 21 residues pruned to eliminate duplicates Z: 21 14.269 1.763 0.485 0.470 0.950 0.550 CB 1.322 21 residues pruned to eliminate duplicates Z: 19 13.198 1.733 0.548 0.577 0.889 0.722 CB 1.212 19 residues pruned to eliminate duplicates Z: 23 17.066 1.775 0.599 0.518 1.000 0.682 CB 1.259 23 residues pruned to eliminate duplicates Z: 46 17.137 1.685 0.579 0.480 0.844 0.644 CB 1.160 46 residues pruned to eliminate duplicates Z: 20 12.561 1.758 0.323 0.586 0.947 0.789 CB 1.203 20 residues pruned to eliminate duplicates Z: 21 12.869 1.741 0.314 0.536 1.000 0.800 CB 1.214 21 residues pruned to eliminate duplicates Z: 14 8.633 1.685 0.202 0.524 0.923 0.692 CA 1.251 14 residues pruned to eliminate duplicates Z: 35 21.596 1.705 0.665 0.640 0.941 0.559 CB 1.216 35 residues pruned to eliminate duplicates Z: 23 10.787 1.665 0.231 0.500 0.909 0.682 CA 1.234 23 residues pruned to eliminate duplicates Z: 17 13.403 1.741 0.416 0.618 0.938 0.750 CA 1.296 17 residues pruned to eliminate duplicates Z: 19 13.763 1.779 0.478 0.565 0.889 0.722 CB 1.303 19 residues pruned to eliminate duplicates Z: 22 16.654 1.729 0.553 0.656 0.905 0.714 CB 1.293 22 residues pruned to eliminate duplicates Z: 22 14.566 1.803 0.439 0.549 1.000 0.810 CB 1.167 22 residues pruned to eliminate duplicates Z: 22 14.791 1.809 0.513 0.548 1.000 0.952 CB 1.126 22 residues pruned to eliminate duplicates Z: 24 13.066 1.728 0.345 0.560 1.000 0.652 CA 1.106 24 residues pruned to eliminate duplicates Z: 26 14.330 1.705 0.589 0.500 0.960 0.600 CA 1.101 26 residues pruned to eliminate duplicates Z: 22 12.209 1.789 0.305 0.476 0.952 0.667 CB 1.228 22 residues pruned to eliminate duplicates Z: 38 19.677 1.770 0.414 0.592 0.973 0.676 CB 1.217 38 residues pruned to eliminate duplicates 7 1.176 1.661 0.785 0.170 0.833 0.333 CB 0.290 ? Z: 13 5.311 1.786 0.425 0.320 0.833 0.500 CA 0.881 13 residues pruned to eliminate duplicates Z: 14 10.595 1.857 0.953 0.344 0.846 0.692 CA 1.135 15 residues pruned to eliminate duplicates 6 1.869 1.354 0.245 0.201 0.800 0.400 CA 0.884 ? Z: 6 2.409 1.257 0.390 0.352 1.000 0.800 CA 0.724 Z: 15 11.412 1.647 0.427 0.775 1.000 0.786 CB 1.018 11 residues pruned to eliminate duplicates Z: 18 16.786 1.612 0.729 0.818 1.000 0.706 CB 1.108 17 residues pruned to eliminate duplicates Z: 12 8.808 1.515 0.522 0.897 1.000 0.818 CB 0.825 12 residues pruned to eliminate duplicates Z: 8 3.934 1.589 0.579 0.496 0.714 0.286 CB 0.833 8 residues pruned to eliminate duplicates Z: 15 4.895 1.525 0.510 0.441 0.714 0.357 CB 0.845 9 residues pruned to eliminate duplicates Z: 12 15.909 1.683 0.832 0.896 1.000 0.545 CB 1.115 12 residues pruned to eliminate duplicates Z: 51 27.375 1.735 0.717 0.555 0.960 0.460 CB 1.284 56 residues pruned to eliminate duplicates Z: 15 13.347 1.503 1.032 0.875 0.786 0.571 CA 1.081 15 residues pruned to eliminate duplicates Z: 60 32.197 1.793 0.774 0.619 0.966 0.695 CB 1.218 66 residues pruned to eliminate duplicates Z: 13 17.197 1.625 1.236 0.937 1.000 0.917 CB 0.951 13 residues pruned to eliminate duplicates Z: 45 27.188 1.782 0.779 0.528 0.932 0.614 CB 1.349 46 residues pruned to eliminate duplicates Z: 13 19.145 1.697 1.023 0.897 1.000 0.583 CB 1.152 13 residues pruned to eliminate duplicates Z: 49 25.694 1.737 0.727 0.552 0.917 0.583 CB 1.282 49 residues pruned to eliminate duplicates Z: 41 27.839 1.823 0.683 0.603 1.000 0.825 CB 1.301 41 residues pruned to eliminate duplicates Z: 18 16.445 1.714 0.961 0.722 0.941 0.765 CB 1.032 18 residues pruned to eliminate duplicates Z: 40 25.335 1.797 0.687 0.604 0.923 0.692 CB 1.314 40 residues pruned to eliminate duplicates Z: 35 25.865 1.820 0.660 0.528 1.000 0.559 CB 1.429 35 residues pruned to eliminate duplicates Z: 23 13.844 1.680 0.585 0.604 0.864 0.591 CB 1.162 23 residues pruned to eliminate duplicates Z: 36 23.431 1.779 0.677 0.542 0.914 0.543 CB 1.393 36 residues pruned to eliminate duplicates Z: 35 16.653 1.688 0.492 0.526 0.912 0.676 CB 1.213 35 residues pruned to eliminate duplicates Z: 42 29.786 1.820 0.806 0.545 1.000 0.707 CB 1.354 42 residues pruned to eliminate duplicates Z: 14 19.622 1.777 0.706 0.841 1.000 0.692 CA 1.338 14 residues pruned to eliminate duplicates Z: 46 25.949 1.771 0.747 0.522 0.933 0.667 CB 1.311 46 residues pruned to eliminate duplicates Z: 25 12.621 1.684 0.527 0.477 0.833 0.500 CB 1.231 25 residues pruned to eliminate duplicates Z: 34 15.975 1.612 0.643 0.559 0.909 0.576 CB 1.090 34 residues pruned to eliminate duplicates Z: 28 15.264 1.695 0.492 0.433 0.926 0.407 CB 1.346 28 residues pruned to eliminate duplicates Z: 35 20.254 1.802 0.612 0.495 0.882 0.618 CB 1.362 35 residues pruned to eliminate duplicates Z: 35 17.863 1.725 0.531 0.577 0.912 0.647 CB 1.181 35 residues pruned to eliminate duplicates Z: 40 21.781 1.760 0.698 0.460 0.897 0.590 CB 1.355 40 residues pruned to eliminate duplicates Z: 57 26.161 1.726 0.745 0.502 0.893 0.607 CB 1.298 57 residues pruned to eliminate duplicates Z: 35 26.696 1.809 0.710 0.571 0.941 0.588 CB 1.468 35 residues pruned to eliminate duplicates Z: 57 26.090 1.744 0.589 0.503 0.929 0.554 CB 1.351 57 residues pruned to eliminate duplicates Z: 45 29.954 1.816 0.852 0.541 0.932 0.705 CB 1.384 45 residues pruned to eliminate duplicates Z: 50 26.425 1.725 0.721 0.520 0.980 0.551 CB 1.273 50 residues pruned to eliminate duplicates Z: 37 25.889 1.788 0.646 0.544 0.972 0.667 CB 1.444 37 residues pruned to eliminate duplicates Z: 36 24.743 1.798 0.737 0.547 0.914 0.543 CB 1.400 36 residues pruned to eliminate duplicates Z: 44 26.641 1.795 0.789 0.559 0.907 0.674 CB 1.318 44 residues pruned to eliminate duplicates Z: 44 27.138 1.807 0.663 0.567 0.953 0.651 CA 1.353 44 residues pruned to eliminate duplicates Z: 45 28.507 1.807 0.676 0.571 1.000 0.614 CA 1.325 45 residues pruned to eliminate duplicates Z: 46 23.473 1.781 0.724 0.491 0.889 0.578 CA 1.294 46 residues pruned to eliminate duplicates Z: 39 31.645 1.839 0.792 0.596 1.000 0.632 CB 1.422 39 residues pruned to eliminate duplicates Z: 41 27.918 1.817 0.717 0.557 0.950 0.675 CA 1.409 41 residues pruned to eliminate duplicates Z: 46 29.948 1.794 0.856 0.553 0.956 0.600 CA 1.332 46 residues pruned to eliminate duplicates Z: 40 26.271 1.829 0.833 0.529 0.923 0.564 CA 1.321 40 residues pruned to eliminate duplicates Z: 6 5.290 1.608 0.641 0.471 1.000 0.600 CA 0.924 5 residues pruned to eliminate duplicates Z: 6 3.960 1.472 0.879 0.399 1.000 0.600 CA 0.712 6 residues pruned to eliminate duplicates Z: 17 8.627 1.567 0.569 0.538 0.812 0.500 CB 1.040 17 residues pruned to eliminate duplicates Z: 11 13.911 1.696 0.778 0.722 1.000 0.600 CB 1.194 11 residues pruned to eliminate duplicates Z: 7 2.194 1.601 0.543 0.434 0.500 0.500 CB 0.776 7 residues pruned to eliminate duplicates Z: 15 7.376 1.606 0.766 0.567 0.929 0.286 CB 0.702 14 residues pruned to eliminate duplicates Z: 12 9.744 1.601 0.832 0.754 1.000 0.455 CB 0.799 13 residues pruned to eliminate duplicates Z: 12 12.689 1.593 0.882 0.833 1.000 0.545 CB 0.958 12 residues pruned to eliminate duplicates Z: 27 15.509 1.691 0.678 0.628 0.846 0.538 CB 1.123 26 residues pruned to eliminate duplicates Z: 12 10.072 1.660 0.835 0.794 0.909 0.545 CB 0.848 12 residues pruned to eliminate duplicates Z: 20 12.980 1.696 0.970 0.589 0.895 0.474 CB 0.915 20 residues pruned to eliminate duplicates Z: 11 5.995 1.591 0.540 0.583 1.000 0.800 CB 0.714 11 residues pruned to eliminate duplicates Z: 8 9.525 1.655 1.057 0.767 1.000 0.286 CB 0.835 8 residues pruned to eliminate duplicates Z: 13 9.879 1.640 0.317 0.762 0.917 0.750 N 1.141 12 residues pruned to eliminate duplicates Z: 17 11.916 1.537 0.567 0.788 0.875 0.688 CA 1.098 22 residues pruned to eliminate duplicates Z: 13 9.324 1.494 0.356 0.765 0.917 0.417 N 1.146 13 residues pruned to eliminate duplicates Z: 12 10.339 1.710 0.474 0.638 0.909 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 6 4.916 1.697 0.392 0.590 1.000 0.600 CA 0.854 6 residues pruned to eliminate duplicates Z: 12 12.986 1.698 0.784 0.750 0.909 0.545 N 1.137 14 residues pruned to eliminate duplicates Z: 7 8.959 1.766 0.545 0.765 0.833 0.833 N 1.271 7 residues pruned to eliminate duplicates Z: 13 4.854 1.544 0.220 0.397 0.833 0.417 CB 0.995 13 residues pruned to eliminate duplicates Z: 7 7.937 1.670 0.383 0.761 0.833 0.833 CB 1.335 7 residues pruned to eliminate duplicates Z: 10 5.289 1.624 0.339 0.432 0.667 0.556 CA 1.304 10 residues pruned to eliminate duplicates Z: 24 6.604 1.532 0.478 0.436 0.696 0.478 CB 0.934 24 residues pruned to eliminate duplicates Z: 13 12.780 1.810 0.695 0.586 0.750 0.750 N 1.477 13 residues pruned to eliminate duplicates Z: 17 14.299 1.674 0.839 0.573 0.875 0.562 CB 1.237 17 residues pruned to eliminate duplicates Z: 17 12.092 1.703 0.611 0.492 0.938 0.812 CB 1.185 17 residues pruned to eliminate duplicates Z: 15 11.640 1.770 0.566 0.472 1.000 0.857 CB 1.154 15 residues pruned to eliminate duplicates Z: 19 16.758 1.811 0.643 0.633 0.944 0.833 CB 1.241 19 residues pruned to eliminate duplicates Z: 13 12.669 1.805 0.785 0.569 0.750 0.667 N 1.416 13 residues pruned to eliminate duplicates Z: 15 12.639 1.760 0.738 0.533 1.000 0.857 CB 1.069 15 residues pruned to eliminate duplicates Z: 12 12.422 1.819 0.751 0.590 0.818 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 11 12.866 1.863 0.839 0.669 0.900 0.800 CB 1.129 11 residues pruned to eliminate duplicates Z: 20 11.454 1.673 0.449 0.561 1.000 0.632 CB 1.022 20 residues pruned to eliminate duplicates Z: 20 15.039 1.730 0.477 0.631 0.947 0.737 CB 1.260 20 residues pruned to eliminate duplicates Z: 22 13.282 1.662 0.526 0.550 0.857 0.619 CB 1.270 22 residues pruned to eliminate duplicates Z: 20 17.213 1.790 0.703 0.686 0.895 0.684 CB 1.221 20 residues pruned to eliminate duplicates Z: 9 6.982 1.545 0.626 0.555 0.875 0.500 CB 1.064 9 residues pruned to eliminate duplicates Z: 10 7.770 1.575 0.505 0.617 0.778 0.444 N 1.258 10 residues pruned to eliminate duplicates Z: 11 7.456 1.606 0.436 0.634 0.800 0.800 CB 1.127 11 residues pruned to eliminate duplicates Z: 23 17.188 1.719 0.627 0.639 0.955 0.727 CB 1.205 23 residues pruned to eliminate duplicates Z: 22 18.823 1.796 0.625 0.623 0.952 0.571 CB 1.316 22 residues pruned to eliminate duplicates Z: 43 22.267 1.745 0.695 0.544 0.881 0.643 CB 1.263 43 residues pruned to eliminate duplicates Z: 38 22.924 1.747 0.581 0.637 0.973 0.757 CB 1.233 38 residues pruned to eliminate duplicates Z: 56 29.365 1.808 0.555 0.591 0.964 0.655 CA 1.339 56 residues pruned to eliminate duplicates Z: 21 18.244 1.723 0.597 0.724 1.000 0.750 CA 1.211 21 residues pruned to eliminate duplicates Z: 43 30.500 1.799 0.718 0.663 0.976 0.738 CA 1.341 44 residues pruned to eliminate duplicates Z: 12 9.641 1.712 0.364 0.653 1.000 0.818 CA 1.080 12 residues pruned to eliminate duplicates Z: 47 22.383 1.750 0.547 0.603 0.913 0.587 CB 1.211 47 residues pruned to eliminate duplicates Z: 33 19.063 1.758 0.518 0.626 0.969 0.719 CB 1.158 33 residues pruned to eliminate duplicates Z: 23 16.731 1.687 0.687 0.670 0.955 0.682 CB 1.122 23 residues pruned to eliminate duplicates Z: 47 28.903 1.786 0.674 0.606 0.957 0.543 CB 1.347 47 residues pruned to eliminate duplicates Z: 24 17.660 1.690 0.540 0.685 1.000 0.696 CB 1.194 24 residues pruned to eliminate duplicates Z: 55 30.903 1.800 0.681 0.596 0.981 0.704 CB 1.292 55 residues pruned to eliminate duplicates Z: 42 24.252 1.772 0.636 0.568 0.951 0.561 CA 1.287 42 residues pruned to eliminate duplicates Z: 39 23.396 1.760 0.704 0.550 0.974 0.605 CA 1.238 39 residues pruned to eliminate duplicates Z: 57 28.554 1.762 0.610 0.549 0.946 0.661 CB 1.354 57 residues pruned to eliminate duplicates Z: 26 19.290 1.881 0.636 0.504 0.920 0.680 CA 1.357 26 residues pruned to eliminate duplicates Z: 44 28.143 1.790 0.723 0.613 0.930 0.651 CA 1.344 43 residues pruned to eliminate duplicates Z: 16 16.600 1.754 0.643 0.774 0.933 0.533 CA 1.251 16 residues pruned to eliminate duplicates Z: 44 23.333 1.737 0.589 0.553 0.977 0.674 CA 1.255 44 residues pruned to eliminate duplicates Z: 49 26.896 1.716 0.693 0.591 0.958 0.604 CB 1.278 49 residues pruned to eliminate duplicates Z: 54 28.593 1.775 0.657 0.562 0.962 0.623 CA 1.306 54 residues pruned to eliminate duplicates Z: 56 28.987 1.821 0.550 0.616 0.945 0.673 CB 1.313 56 residues pruned to eliminate duplicates Z: 56 31.929 1.810 0.702 0.604 0.945 0.655 CB 1.339 56 residues pruned to eliminate duplicates Z: 22 10.986 1.751 0.542 0.354 0.857 0.476 CB 1.213 22 residues pruned to eliminate duplicates Z: 17 9.919 1.764 0.425 0.418 0.938 0.500 CB 1.146 17 residues pruned to eliminate duplicates Z: 57 28.657 1.797 0.568 0.600 0.929 0.679 CB 1.330 57 residues pruned to eliminate duplicates Z: 27 17.556 1.844 0.517 0.463 0.962 0.538 CA 1.329 27 residues pruned to eliminate duplicates Z: 45 26.886 1.796 0.686 0.598 0.955 0.659 CA 1.277 45 residues pruned to eliminate duplicates Z: 57 27.644 1.764 0.577 0.577 0.946 0.607 CA 1.303 57 residues pruned to eliminate duplicates Z: 57 24.765 1.755 0.571 0.555 0.911 0.589 CB 1.250 57 residues pruned to eliminate duplicates Z: 23 15.298 1.817 0.671 0.432 0.955 0.500 CA 1.208 23 residues pruned to eliminate duplicates Z: 57 28.035 1.795 0.606 0.583 0.946 0.607 CA 1.269 57 residues pruned to eliminate duplicates Z: 16 11.832 1.780 0.604 0.501 1.000 0.733 CA 1.069 16 residues pruned to eliminate duplicates Z: 53 28.534 1.765 0.630 0.617 0.981 0.750 CA 1.256 53 residues pruned to eliminate duplicates Z: 55 31.463 1.815 0.642 0.627 0.963 0.648 CA 1.324 55 residues pruned to eliminate duplicates Z: 43 23.183 1.762 0.632 0.557 0.952 0.548 CA 1.235 43 residues pruned to eliminate duplicates Z: 13 17.694 1.785 0.646 0.787 1.000 0.667 CB 1.351 13 residues pruned to eliminate duplicates Z: 12 19.797 1.871 0.652 0.871 1.000 0.909 CA 1.408 12 residues pruned to eliminate duplicates Z: 13 19.230 1.771 0.924 0.840 0.917 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 18 17.529 1.801 0.736 0.688 0.941 0.765 CB 1.216 14 residues pruned to eliminate duplicates Z: 14 20.973 1.699 0.963 0.827 1.000 0.692 CB 1.314 14 residues pruned to eliminate duplicates Z: 25 16.450 1.759 0.685 0.582 0.833 0.542 CB 1.256 31 residues pruned to eliminate duplicates Z: 13 19.266 1.754 0.786 0.830 1.000 0.583 CB 1.334 13 residues pruned to eliminate duplicates Z: 12 15.149 1.818 0.940 0.777 0.818 0.545 N 1.240 12 residues pruned to eliminate duplicates Z: 24 12.852 1.621 0.759 0.616 0.913 0.478 CB 0.923 24 residues pruned to eliminate duplicates Z: 19 15.521 1.693 0.720 0.772 0.944 0.722 CB 1.046 19 residues pruned to eliminate duplicates Z: 8 3.828 1.330 0.438 0.689 0.857 0.429 CB 0.742 8 residues pruned to eliminate duplicates Z: 7 6.081 1.667 0.373 0.628 1.000 0.500 CA 0.961 7 residues pruned to eliminate duplicates Z: 9 6.385 1.603 0.279 0.557 0.875 0.625 CB 1.191 9 residues pruned to eliminate duplicates Z: 15 11.664 1.820 0.612 0.662 0.857 0.357 CB 1.067 15 residues pruned to eliminate duplicates Z: 11 4.730 1.418 0.501 0.452 0.900 0.300 CB 0.820 11 residues pruned to eliminate duplicates Z: 20 9.156 1.656 0.603 0.428 0.842 0.474 CB 1.012 9 residues pruned to eliminate duplicates Z: 21 14.712 1.640 0.572 0.822 0.900 0.550 CB 1.072 21 residues pruned to eliminate duplicates Z: 9 4.954 1.671 0.879 0.351 0.875 0.625 CB 0.749 9 residues pruned to eliminate duplicates Z: 12 5.114 1.703 0.652 0.241 0.727 0.273 CB 1.017 12 residues pruned to eliminate duplicates Z: 12 5.063 1.589 0.665 0.307 0.727 0.364 CB 0.983 12 residues pruned to eliminate duplicates Z: 16 6.176 1.735 0.534 0.268 0.800 0.467 CB 0.975 16 residues pruned to eliminate duplicates Z: 6 5.235 1.818 0.910 0.223 0.800 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 9 6.900 1.775 0.758 0.363 0.750 0.500 CB 1.208 Z: 9 7.405 1.621 0.263 0.644 1.000 0.875 CB 1.118 9 residues pruned to eliminate duplicates Z: 23 10.594 1.657 0.332 0.454 0.909 0.636 CB 1.179 23 residues pruned to eliminate duplicates Z: 25 14.203 1.760 0.710 0.428 0.875 0.667 CB 1.187 34 residues pruned to eliminate duplicates Z: 18 14.215 1.770 0.803 0.525 0.882 0.765 CB 1.194 18 residues pruned to eliminate duplicates Z: 36 16.585 1.697 0.564 0.452 0.971 0.629 CB 1.142 42 residues pruned to eliminate duplicates Z: 11 6.754 1.584 0.082 0.900 1.000 0.900 CB 0.890 11 residues pruned to eliminate duplicates Z: 41 15.986 1.691 0.506 0.501 0.875 0.650 CB 1.133 45 residues pruned to eliminate duplicates Z: 10 9.602 1.595 0.265 0.891 1.000 0.889 CB 1.140 10 residues pruned to eliminate duplicates Z: 43 15.401 1.622 0.437 0.459 0.952 0.548 CB 1.116 43 residues pruned to eliminate duplicates Z: 34 14.798 1.725 0.438 0.469 0.909 0.636 CA 1.179 34 residues pruned to eliminate duplicates Z: 49 21.408 1.690 0.470 0.543 0.979 0.771 CB 1.218 49 residues pruned to eliminate duplicates Z: 58 18.420 1.669 0.504 0.493 0.895 0.544 CB 1.094 58 residues pruned to eliminate duplicates Z: 14 5.547 1.513 0.279 0.497 0.769 0.462 CB 1.036 14 residues pruned to eliminate duplicates Z: 14 5.300 1.491 0.197 0.531 0.846 0.615 CB 0.945 14 residues pruned to eliminate duplicates Z: 13 5.253 1.416 0.556 0.396 0.750 0.500 CA 1.024 13 residues pruned to eliminate duplicates Z: 34 20.292 1.689 0.577 0.601 1.000 0.576 CA 1.204 33 residues pruned to eliminate duplicates Z: 15 11.345 1.623 0.473 0.750 0.786 0.500 CA 1.292 15 residues pruned to eliminate duplicates Z: 17 10.354 1.557 0.546 0.560 0.938 0.625 CB 1.081 17 residues pruned to eliminate duplicates Z: 36 21.217 1.686 0.648 0.543 0.971 0.657 CA 1.274 35 residues pruned to eliminate duplicates Z: 16 13.997 1.603 0.582 0.747 0.933 0.600 CB 1.224 16 residues pruned to eliminate duplicates Z: 22 17.570 1.680 0.689 0.589 0.952 0.524 CB 1.303 22 residues pruned to eliminate duplicates Z: 24 11.172 1.653 0.439 0.512 0.913 0.652 CB 1.060 24 residues pruned to eliminate duplicates Z: 39 16.854 1.645 0.640 0.499 0.868 0.632 CB 1.168 31 residues pruned to eliminate duplicates Z: 10 9.713 1.617 0.524 0.705 0.778 0.444 N 1.402 10 residues pruned to eliminate duplicates Z: 43 20.935 1.678 0.577 0.586 0.929 0.619 CB 1.210 43 residues pruned to eliminate duplicates Z: 29 18.158 1.690 0.740 0.553 0.893 0.679 CB 1.242 29 residues pruned to eliminate duplicates Z: 31 18.250 1.724 0.625 0.530 0.967 0.567 CB 1.195 31 residues pruned to eliminate duplicates Z: 26 20.355 1.770 0.639 0.552 0.960 0.640 CA 1.390 34 residues pruned to eliminate duplicates Z: 7 3.975 1.519 0.301 0.411 0.833 0.167 N 1.081 7 residues pruned to eliminate duplicates Z: 28 12.801 1.696 0.445 0.463 0.852 0.556 CA 1.226 28 residues pruned to eliminate duplicates Z: 25 18.980 1.740 0.631 0.595 0.917 0.708 CA 1.360 25 residues pruned to eliminate duplicates Z: 26 16.265 1.673 0.704 0.513 0.880 0.520 CB 1.279 26 residues pruned to eliminate duplicates Z: 44 21.282 1.697 0.626 0.540 0.930 0.674 CB 1.216 32 residues pruned to eliminate duplicates Z: 6 2.887 1.405 0.825 0.330 0.800 0.800 CA 0.758 6 residues pruned to eliminate duplicates Z: 27 18.882 1.748 0.563 0.554 1.000 0.692 CA 1.285 27 residues pruned to eliminate duplicates Z: 24 17.204 1.755 0.525 0.545 0.957 0.652 CA 1.341 24 residues pruned to eliminate duplicates Z: 40 22.507 1.686 0.747 0.573 0.949 0.692 CA 1.203 40 residues pruned to eliminate duplicates Z: 26 19.342 1.762 0.639 0.528 0.960 0.640 CA 1.358 26 residues pruned to eliminate duplicates Z: 54 24.898 1.721 0.585 0.551 0.943 0.679 CB 1.265 54 residues pruned to eliminate duplicates Z: 28 17.358 1.681 0.596 0.566 0.926 0.593 CA 1.263 28 residues pruned to eliminate duplicates Z: 24 18.405 1.789 0.677 0.527 1.000 0.739 CA 1.245 24 residues pruned to eliminate duplicates Z: 36 15.757 1.707 0.379 0.468 0.914 0.629 CA 1.279 36 residues pruned to eliminate duplicates Z: 26 18.852 1.741 0.553 0.527 1.000 0.720 CA 1.357 26 residues pruned to eliminate duplicates Z: 21 17.025 1.749 0.738 0.650 0.900 0.700 CB 1.210 12 residues pruned to eliminate duplicates Z: 6 3.594 1.369 0.786 0.437 1.000 0.600 N 0.702 Z: 12 9.041 1.506 0.239 0.839 1.000 0.909 CA 1.091 11 residues pruned to eliminate duplicates Z: 11 9.971 1.624 0.294 0.848 1.000 1.000 CB 1.113 11 residues pruned to eliminate duplicates Z: 16 7.361 1.606 0.333 0.646 0.867 0.667 CB 0.893 16 residues pruned to eliminate duplicates Z: 36 18.480 1.724 0.547 0.611 0.943 0.629 CB 1.118 24 residues pruned to eliminate duplicates Z: 11 11.486 1.527 0.811 0.833 0.900 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 20 11.041 1.593 0.383 0.644 1.000 0.684 CB 1.005 20 residues pruned to eliminate duplicates Z: 18 13.843 1.645 0.567 0.748 1.000 0.765 CB 1.044 16 residues pruned to eliminate duplicates Z: 12 9.613 1.553 0.577 0.830 0.909 0.364 CB 0.979 12 residues pruned to eliminate duplicates Z: 15 10.143 1.531 0.658 0.740 0.929 0.786 CB 0.928 15 residues pruned to eliminate duplicates Z: 21 11.338 1.578 0.452 0.666 0.950 0.500 CB 0.999 20 residues pruned to eliminate duplicates Z: 25 16.866 1.676 0.493 0.786 1.000 0.750 CB 1.070 25 residues pruned to eliminate duplicates Z: 35 16.628 1.675 0.490 0.592 0.941 0.676 CB 1.112 35 residues pruned to eliminate duplicates Z: 24 11.337 1.613 0.367 0.626 0.957 0.609 CB 0.996 24 residues pruned to eliminate duplicates Z: 16 10.509 1.705 0.592 0.629 0.933 0.733 CB 0.949 16 residues pruned to eliminate duplicates Z: 22 11.520 1.733 0.588 0.493 0.905 0.667 CB 1.017 22 residues pruned to eliminate duplicates Z: 24 12.785 1.694 0.452 0.670 0.870 0.609 CB 1.065 24 residues pruned to eliminate duplicates Z: 39 20.500 1.696 0.463 0.708 0.974 0.711 CB 1.140 38 residues pruned to eliminate duplicates Z: 13 13.449 1.718 0.476 0.822 1.000 0.667 CB 1.159 13 residues pruned to eliminate duplicates Z: 44 21.304 1.734 0.355 0.621 1.000 0.651 CB 1.233 39 residues pruned to eliminate duplicates Z: 15 9.277 1.654 0.187 0.770 0.929 0.643 CB 1.070 15 residues pruned to eliminate duplicates Z: 41 18.667 1.727 0.481 0.578 0.925 0.600 CB 1.158 41 residues pruned to eliminate duplicates Z: 30 11.941 1.629 0.431 0.551 0.897 0.621 CB 1.010 30 residues pruned to eliminate duplicates Z: 30 13.244 1.685 0.472 0.582 0.931 0.690 CB 0.984 30 residues pruned to eliminate duplicates Z: 25 12.574 1.767 0.318 0.373 0.958 0.542 CB 1.318 25 residues pruned to eliminate duplicates Z: 42 19.351 1.747 0.502 0.547 0.927 0.659 CB 1.187 42 residues pruned to eliminate duplicates Z: 22 14.976 1.827 0.584 0.505 0.952 0.762 CA 1.179 22 residues pruned to eliminate duplicates Z: 33 18.660 1.718 0.573 0.630 0.969 0.750 CB 1.115 33 residues pruned to eliminate duplicates Z: 18 13.261 1.806 0.651 0.492 0.882 0.706 CA 1.232 18 residues pruned to eliminate duplicates Z: 39 18.589 1.744 0.454 0.563 0.947 0.579 CB 1.181 39 residues pruned to eliminate duplicates Z: 43 19.080 1.752 0.449 0.542 0.905 0.619 CB 1.230 43 residues pruned to eliminate duplicates Z: 7 3.881 1.680 0.764 0.502 0.667 0.500 CA 0.800 7 residues pruned to eliminate duplicates Z: 31 13.514 1.680 0.426 0.416 0.933 0.467 CA 1.205 24 residues pruned to eliminate duplicates Z: 7 5.343 1.641 0.481 0.448 0.833 0.500 CA 1.137 7 residues pruned to eliminate duplicates Z: 42 19.592 1.738 0.514 0.530 0.902 0.512 CB 1.251 42 residues pruned to eliminate duplicates Z: 10 10.743 1.898 0.558 0.493 1.000 0.556 CA 1.220 10 residues pruned to eliminate duplicates Z: 13 9.122 1.881 0.403 0.419 0.833 0.583 CA 1.302 13 residues pruned to eliminate duplicates Z: 13 10.521 1.625 0.900 0.524 0.833 0.667 CB 1.153 Z: 7 3.696 1.217 0.537 0.471 1.000 0.333 CA 0.831 7 residues pruned to eliminate duplicates Z: 26 14.200 1.792 0.623 0.464 0.800 0.520 CA 1.266 35 residues pruned to eliminate duplicates Z: 8 7.330 1.420 0.608 0.752 1.000 0.429 CA 0.969 8 residues pruned to eliminate duplicates Z: 11 7.163 1.479 0.537 0.661 0.900 0.400 CB 0.953 9 residues pruned to eliminate duplicates Z: 6 4.284 1.394 0.470 0.719 0.800 0.200 N 0.959 6 residues pruned to eliminate duplicates Z: 7 3.020 1.583 0.391 0.545 0.667 0.500 CB 0.804 7 residues pruned to eliminate duplicates Z: 7 7.873 1.651 0.485 0.692 0.833 0.833 CA 1.320 7 residues pruned to eliminate duplicates Z: 7 6.274 1.469 0.298 0.709 1.000 0.667 CB 1.112 7 residues pruned to eliminate duplicates Z: 13 18.109 1.779 0.688 0.758 1.000 0.750 CB 1.384 13 residues pruned to eliminate duplicates Z: 14 18.052 1.662 0.757 0.800 1.000 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 16 13.779 1.661 0.522 0.746 1.000 0.600 CB 1.130 16 residues pruned to eliminate duplicates Z: 14 15.900 1.628 0.818 0.677 1.000 0.769 CB 1.265 14 residues pruned to eliminate duplicates Z: 13 14.916 1.764 0.633 0.734 0.917 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 14 13.132 1.711 0.597 0.714 0.923 0.769 CB 1.189 14 residues pruned to eliminate duplicates Z: 16 13.124 1.673 0.404 0.663 0.933 0.733 CB 1.329 16 residues pruned to eliminate duplicates Z: 13 11.254 1.686 0.416 0.674 0.917 0.333 CB 1.264 12 residues pruned to eliminate duplicates Z: 12 20.694 1.812 0.758 0.854 1.000 0.818 CB 1.446 14 residues pruned to eliminate duplicates Z: 14 17.590 1.657 0.791 0.803 0.923 0.769 CB 1.366 13 residues pruned to eliminate duplicates Z: 16 11.582 1.577 0.628 0.701 0.933 0.733 CB 1.039 16 residues pruned to eliminate duplicates Z: 15 6.396 1.403 0.573 0.404 0.857 0.500 N 0.999 15 residues pruned to eliminate duplicates Z: 13 7.639 1.497 0.424 0.527 0.917 0.500 N 1.099 13 residues pruned to eliminate duplicates Z: 13 6.058 1.452 0.644 0.442 0.833 0.333 CB 0.933 12 residues pruned to eliminate duplicates Z: 14 8.466 1.568 0.316 0.814 0.923 0.538 CB 0.938 14 residues pruned to eliminate duplicates Z: 25 9.601 1.511 0.323 0.566 0.958 0.542 CB 0.959 24 residues pruned to eliminate duplicates Z: 15 8.683 1.496 0.599 0.735 0.857 0.500 CB 0.916 15 residues pruned to eliminate duplicates Z: 16 10.437 1.565 0.403 0.659 0.933 0.600 CB 1.135 16 residues pruned to eliminate duplicates Z: 14 4.998 1.465 0.376 0.544 0.769 0.462 CB 0.857 14 residues pruned to eliminate duplicates Z: 20 11.213 1.622 0.390 0.502 0.947 0.684 CB 1.202 20 residues pruned to eliminate duplicates Z: 9 4.553 1.390 0.195 0.728 1.000 0.750 CB 0.789 9 residues pruned to eliminate duplicates Z: 19 8.540 1.533 0.418 0.515 0.889 0.611 CB 1.027 19 residues pruned to eliminate duplicates Z: 30 19.871 1.670 0.534 0.620 1.000 0.690 CA 1.285 30 residues pruned to eliminate duplicates Z: 34 15.930 1.704 0.349 0.522 0.970 0.576 CB 1.217 34 residues pruned to eliminate duplicates Z: 30 18.278 1.681 0.478 0.617 0.966 0.621 CB 1.267 30 residues pruned to eliminate duplicates Z: 32 15.886 1.665 0.484 0.610 0.871 0.677 CB 1.195 32 residues pruned to eliminate duplicates Z: 25 10.689 1.577 0.474 0.428 0.875 0.458 CB 1.156 25 residues pruned to eliminate duplicates Z: 33 16.608 1.679 0.420 0.540 0.938 0.656 CA 1.263 33 residues pruned to eliminate duplicates Z: 16 11.373 1.764 0.439 0.463 0.933 0.600 CA 1.287 16 residues pruned to eliminate duplicates Z: 28 16.467 1.674 0.347 0.693 0.963 0.741 CB 1.224 28 residues pruned to eliminate duplicates Z: 24 15.926 1.633 0.682 0.522 0.957 0.609 CB 1.236 24 residues pruned to eliminate duplicates Z: 23 13.696 1.660 0.406 0.567 0.909 0.636 CB 1.289 23 residues pruned to eliminate duplicates Z: 32 17.260 1.668 0.409 0.572 0.968 0.581 CB 1.271 32 residues pruned to eliminate duplicates Z: 26 13.562 1.634 0.481 0.530 0.880 0.640 CB 1.237 26 residues pruned to eliminate duplicates Z: 32 14.863 1.669 0.490 0.459 0.968 0.677 CB 1.156 32 residues pruned to eliminate duplicates Z: 22 16.196 1.730 0.544 0.579 0.952 0.714 CB 1.289 22 residues pruned to eliminate duplicates Z: 22 14.866 1.693 0.493 0.577 0.905 0.714 CA 1.318 22 residues pruned to eliminate duplicates Z: 30 14.587 1.693 0.439 0.419 1.000 0.552 CB 1.210 30 residues pruned to eliminate duplicates Z: 23 15.073 1.725 0.589 0.465 1.000 0.682 CA 1.216 23 residues pruned to eliminate duplicates Z: 24 14.768 1.754 0.434 0.492 1.000 0.696 CA 1.235 24 residues pruned to eliminate duplicates Z: 14 5.201 1.603 0.396 0.371 0.846 0.538 CB 0.874 14 residues pruned to eliminate duplicates Z: 26 18.199 1.702 0.670 0.534 0.960 0.760 CB 1.291 26 residues pruned to eliminate duplicates Z: 29 13.321 1.648 0.497 0.459 0.929 0.643 CB 1.145 29 residues pruned to eliminate duplicates Z: 22 9.969 1.632 0.567 0.416 0.810 0.476 CB 1.147 22 residues pruned to eliminate duplicates Z: 14 10.028 1.608 0.779 0.680 0.923 0.538 CB 0.893 14 residues pruned to eliminate duplicates Z: 26 15.132 1.696 0.374 0.699 0.960 0.720 CB 1.129 26 residues pruned to eliminate duplicates Z: 12 10.078 1.763 0.481 0.631 0.818 0.545 CB 1.258 12 residues pruned to eliminate duplicates Z: 13 11.595 1.755 0.614 0.690 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 18 9.044 1.735 0.282 0.504 0.824 0.471 CB 1.193 18 residues pruned to eliminate duplicates Z: 33 12.843 1.686 0.441 0.530 0.750 0.531 CA 1.210 42 residues pruned to eliminate duplicates Z: 13 13.139 1.804 0.460 0.725 0.917 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 19 10.040 1.761 0.473 0.531 0.778 0.556 CB 1.137 19 residues pruned to eliminate duplicates Z: 18 10.557 1.745 0.319 0.631 0.882 0.647 CB 1.115 18 residues pruned to eliminate duplicates Z: 18 12.824 1.768 0.573 0.613 0.824 0.588 CB 1.221 18 residues pruned to eliminate duplicates Z: 26 12.971 1.725 0.279 0.542 0.960 0.560 CB 1.176 26 residues pruned to eliminate duplicates Z: 17 10.359 1.813 0.309 0.450 0.938 0.500 CB 1.226 17 residues pruned to eliminate duplicates Z: 17 11.488 1.789 0.468 0.568 0.812 0.500 CB 1.260 17 residues pruned to eliminate duplicates Z: 17 10.212 1.767 0.332 0.517 0.875 0.562 CB 1.219 17 residues pruned to eliminate duplicates Z: 26 10.443 1.709 0.210 0.543 0.880 0.560 CB 1.100 26 residues pruned to eliminate duplicates Z: 11 10.173 1.615 0.676 0.726 1.000 0.700 CB 0.970 11 residues pruned to eliminate duplicates Z: 13 9.042 1.538 0.461 0.720 0.833 0.667 CB 1.143 13 residues pruned to eliminate duplicates Z: 26 13.987 1.708 0.534 0.561 0.920 0.560 CB 1.094 26 residues pruned to eliminate duplicates Z: 24 14.969 1.700 0.599 0.594 0.913 0.609 CB 1.149 24 residues pruned to eliminate duplicates Z: 26 14.363 1.713 0.450 0.596 0.920 0.600 CB 1.147 26 residues pruned to eliminate duplicates Z: 26 12.123 1.714 0.423 0.587 0.840 0.560 CB 1.089 26 residues pruned to eliminate duplicates Z: 22 13.095 1.744 0.406 0.619 0.952 0.619 CB 1.093 22 residues pruned to eliminate duplicates Z: 25 13.031 1.697 0.461 0.688 0.917 0.625 CB 0.985 25 residues pruned to eliminate duplicates Z: 9 6.496 1.480 0.571 0.541 0.875 0.625 CA 1.084 9 residues pruned to eliminate duplicates Z: 14 7.699 1.524 0.414 0.771 0.923 0.538 CB 0.845 14 residues pruned to eliminate duplicates Z: 8 6.024 1.564 0.272 0.626 1.000 0.857 CA 1.017 8 residues pruned to eliminate duplicates Z: 12 6.921 1.579 0.387 0.757 0.818 0.727 CB 0.926 12 residues pruned to eliminate duplicates Z: 8 4.931 1.644 0.158 0.600 0.857 0.857 CA 1.038 8 residues pruned to eliminate duplicates Z: 10 5.346 1.671 0.408 0.737 1.000 0.667 CB 0.612 10 residues pruned to eliminate duplicates Z: 17 4.409 1.482 0.392 0.385 0.750 0.312 CB 0.805 17 residues pruned to eliminate duplicates Z: 12 4.766 1.587 0.360 0.495 0.818 0.545 CB 0.818 12 residues pruned to eliminate duplicates Z: 14 6.805 1.500 0.408 0.703 0.846 0.615 CB 0.878 14 residues pruned to eliminate duplicates Z: 25 10.877 1.512 0.691 0.488 0.792 0.417 CB 1.110 25 residues pruned to eliminate duplicates Z: 12 12.820 1.779 0.752 0.632 0.818 0.727 N 1.339 12 residues pruned to eliminate duplicates Z: 12 18.188 1.776 0.936 0.766 1.000 0.727 CA 1.260 12 residues pruned to eliminate duplicates Z: 12 9.390 1.692 0.748 0.643 0.818 0.727 N 1.023 12 residues pruned to eliminate duplicates Z: 10 16.758 1.816 0.926 0.769 1.000 0.889 CA 1.259 10 residues pruned to eliminate duplicates Z: 24 20.883 1.801 0.722 0.731 0.870 0.826 CB 1.312 24 residues pruned to eliminate duplicates Z: 23 23.388 1.850 0.703 0.744 0.955 0.864 CB 1.333 24 residues pruned to eliminate duplicates 6 1.442 1.265 0.342 0.252 0.600 0.400 CB 0.842 ? Z: 14 14.669 1.782 0.536 0.767 1.000 0.769 CB 1.173 14 residues pruned to eliminate duplicates Z: 12 17.687 1.876 0.745 0.841 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 13 20.286 1.852 0.849 0.845 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 15.828 1.904 0.620 0.796 0.917 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 12 18.641 1.896 0.642 0.863 1.000 0.818 CB 1.324 12 residues pruned to eliminate duplicates Z: 12 17.768 1.887 0.570 0.866 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 12 19.497 1.921 0.550 0.924 1.000 1.000 CB 1.387 12 residues pruned to eliminate duplicates Z: 12 16.149 1.935 0.229 0.930 1.000 1.000 CB 1.432 12 residues pruned to eliminate duplicates Z: 12 16.568 1.940 0.272 0.922 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 32 17.038 1.861 0.473 0.559 0.871 0.613 CB 1.211 32 residues pruned to eliminate duplicates Z: 12 16.186 1.940 0.259 0.872 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 13 12.105 1.920 0.003 0.835 1.000 0.833 CA 1.359 13 residues pruned to eliminate duplicates Z: 22 20.758 1.858 0.380 0.820 1.000 0.667 CA 1.338 22 residues pruned to eliminate duplicates Z: 33 17.512 1.833 0.416 0.627 0.875 0.562 CB 1.210 33 residues pruned to eliminate duplicates Z: 22 12.804 1.732 0.337 0.650 0.857 0.667 CA 1.223 22 residues pruned to eliminate duplicates Z: 7 5.624 1.515 0.873 0.617 1.000 0.500 CA 0.724 6 residues pruned to eliminate duplicates Z: 11 11.613 1.604 0.757 0.833 1.000 0.500 CA 0.977 18 residues pruned to eliminate duplicates Z: 38 19.686 1.750 0.529 0.662 0.892 0.622 CB 1.167 38 residues pruned to eliminate duplicates Z: 19 12.156 1.676 0.710 0.519 0.889 0.444 CB 1.104 19 residues pruned to eliminate duplicates Z: 16 10.978 1.868 0.714 0.456 0.800 0.467 CB 1.157 16 residues pruned to eliminate duplicates Z: 15 9.499 1.693 0.564 0.545 0.786 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 21 14.867 1.787 0.231 0.781 0.900 0.800 CB 1.310 21 residues pruned to eliminate duplicates Z: 12 7.120 1.835 0.797 0.329 0.636 0.182 CB 1.234 12 residues pruned to eliminate duplicates Z: 9 7.795 1.766 0.709 0.320 0.875 0.375 CB 1.272 9 residues pruned to eliminate duplicates Z: 58 26.222 1.841 0.524 0.547 0.930 0.684 CB 1.271 58 residues pruned to eliminate duplicates Z: 13 11.146 1.877 0.787 0.248 0.917 0.333 CB 1.399 13 residues pruned to eliminate duplicates Z: 13 9.492 1.879 0.732 0.243 0.750 0.500 N 1.512 13 residues pruned to eliminate duplicates Z: 11 11.135 1.996 0.716 0.340 0.900 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 8 6.298 1.808 0.684 0.261 0.857 0.286 N 1.198 8 residues pruned to eliminate duplicates Z: 7 7.657 1.927 0.886 0.301 1.000 0.667 N 1.073 7 residues pruned to eliminate duplicates Z: 13 7.431 1.805 0.752 0.268 0.750 0.417 CB 1.177 13 residues pruned to eliminate duplicates Z: 12 10.943 1.919 0.850 0.295 0.818 0.455 CA 1.430 12 residues pruned to eliminate duplicates Z: 35 21.502 1.919 0.563 0.494 0.882 0.735 CA 1.402 35 residues pruned to eliminate duplicates Z: 54 28.555 1.831 0.549 0.585 0.962 0.736 CB 1.325 54 residues pruned to eliminate duplicates Z: 44 26.806 1.884 0.555 0.580 0.930 0.721 CA 1.389 44 residues pruned to eliminate duplicates Z: 52 28.290 1.872 0.627 0.549 0.922 0.725 CB 1.344 52 residues pruned to eliminate duplicates Z: 73 26.980 1.786 0.501 0.543 0.931 0.694 CB 1.222 148 residues pruned to eliminate duplicates Z: 21 15.821 1.901 0.744 0.437 0.950 0.800 CB 1.199 21 residues pruned to eliminate duplicates Z: 13 14.150 1.925 0.728 0.606 1.000 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 50 33.229 1.877 0.678 0.642 0.959 0.735 CB 1.377 50 residues pruned to eliminate duplicates Z: 46 27.154 1.889 0.539 0.564 0.933 0.733 CB 1.402 46 residues pruned to eliminate duplicates Z: 51 22.078 1.807 0.605 0.522 0.880 0.620 CB 1.196 51 residues pruned to eliminate duplicates Z: 52 26.174 1.836 0.531 0.557 0.941 0.725 CB 1.310 52 residues pruned to eliminate duplicates Z: 57 30.337 1.871 0.652 0.576 0.929 0.679 CB 1.312 57 residues pruned to eliminate duplicates Z: 45 29.071 1.809 0.527 0.699 0.977 0.818 CB 1.354 45 residues pruned to eliminate duplicates Z: 22 17.742 1.863 0.410 0.686 1.000 0.857 CB 1.243 22 residues pruned to eliminate duplicates Z: 43 28.448 1.869 0.653 0.599 0.952 0.881 CB 1.358 43 residues pruned to eliminate duplicates Z: 52 29.824 1.837 0.613 0.594 0.980 0.765 CB 1.314 52 residues pruned to eliminate duplicates Z: 33 23.985 1.788 0.562 0.723 0.938 0.781 CB 1.324 33 residues pruned to eliminate duplicates Z: 55 34.024 1.846 0.599 0.663 0.981 0.778 CA 1.374 55 residues pruned to eliminate duplicates Z: 43 30.254 1.879 0.772 0.593 0.952 0.714 CB 1.347 43 residues pruned to eliminate duplicates Z: 52 26.643 1.818 0.713 0.527 0.941 0.686 CB 1.239 52 residues pruned to eliminate duplicates Z: 30 26.703 1.826 0.690 0.761 0.966 0.759 CB 1.320 30 residues pruned to eliminate duplicates Z: 51 30.402 1.836 0.746 0.615 0.920 0.660 CB 1.308 51 residues pruned to eliminate duplicates Z: 51 36.684 1.891 0.853 0.624 0.960 0.700 CB 1.372 51 residues pruned to eliminate duplicates Z: 30 25.999 1.842 0.607 0.750 1.000 0.724 CB 1.305 30 residues pruned to eliminate duplicates Z: 50 35.748 1.910 0.734 0.636 0.980 0.735 CB 1.385 50 residues pruned to eliminate duplicates Z: 46 32.103 1.853 0.694 0.680 0.956 0.711 CB 1.352 46 residues pruned to eliminate duplicates Z: 50 30.743 1.860 0.739 0.606 0.918 0.653 CB 1.337 50 residues pruned to eliminate duplicates Z: 39 27.021 1.830 0.662 0.653 0.921 0.658 CB 1.356 39 residues pruned to eliminate duplicates Z: 45 29.557 1.852 0.600 0.700 0.955 0.773 CB 1.313 45 residues pruned to eliminate duplicates Z: 56 35.422 1.833 0.637 0.675 0.982 0.709 CA 1.380 56 residues pruned to eliminate duplicates Z: 15 18.563 1.866 0.474 0.871 1.000 0.786 CA 1.317 15 residues pruned to eliminate duplicates Z: 47 31.035 1.845 0.621 0.652 0.978 0.696 CB 1.358 47 residues pruned to eliminate duplicates Z: 36 30.561 1.886 0.691 0.720 0.971 0.800 CB 1.367 36 residues pruned to eliminate duplicates Z: 53 30.737 1.849 0.671 0.608 0.962 0.673 CB 1.295 53 residues pruned to eliminate duplicates Z: 49 34.275 1.869 0.760 0.635 0.979 0.771 CB 1.353 49 residues pruned to eliminate duplicates Z: 40 33.448 1.829 0.772 0.716 0.974 0.718 CA 1.394 40 residues pruned to eliminate duplicates Z: 41 36.499 1.875 0.826 0.710 0.975 0.875 CB 1.429 41 residues pruned to eliminate duplicates Z: 31 27.504 1.835 0.776 0.739 0.967 0.733 CA 1.286 31 residues pruned to eliminate duplicates Z: 44 31.619 1.824 0.710 0.655 0.977 0.837 CB 1.371 44 residues pruned to eliminate duplicates Z: 52 31.028 1.816 0.796 0.612 0.941 0.608 CA 1.273 52 residues pruned to eliminate duplicates Z: 42 30.356 1.824 0.788 0.653 0.927 0.780 CB 1.360 42 residues pruned to eliminate duplicates Z: 52 31.675 1.816 0.735 0.605 0.980 0.824 CB 1.300 52 residues pruned to eliminate duplicates Z: 25 12.606 1.739 0.382 0.557 0.958 0.667 CA 1.057 25 residues pruned to eliminate duplicates Z: 56 32.380 1.828 0.645 0.683 0.982 0.709 CA 1.250 56 residues pruned to eliminate duplicates Z: 58 33.102 1.840 0.674 0.636 0.947 0.719 CA 1.323 58 residues pruned to eliminate duplicates Z: 25 12.543 1.676 0.668 0.509 0.917 0.625 CA 0.990 25 residues pruned to eliminate duplicates Z: 20 13.141 1.718 0.572 0.680 0.895 0.842 CA 1.057 20 residues pruned to eliminate duplicates Z: 14 10.976 1.758 0.594 0.537 1.000 0.615 CA 1.048 13 residues pruned to eliminate duplicates 6 1.599 1.335 0.629 0.270 0.600 0.400 N 0.711 ? Z: 6 5.028 1.319 0.646 0.556 1.000 0.400 CA 0.981 6 residues pruned to eliminate duplicates Z: 10 5.181 1.634 0.687 0.450 0.889 0.333 CA 0.742 10 residues pruned to eliminate duplicates Z: 11 9.567 1.814 0.595 0.429 1.000 0.700 CA 1.125 11 residues pruned to eliminate duplicates Z: 14 10.170 1.717 0.795 0.448 0.923 0.692 CA 1.046 14 residues pruned to eliminate duplicates 708 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 11 D: 8 E: 20 F: 98 G: 70 H: 24 I: 64 J: 33 K: 92 L: 100 M: 53 N: 11 O: 12 P: 100 CC for partial structure against native data = 37.90 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.385, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.447, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.736 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.739 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.741 for dens.mod. cycle 6 = 0.300, Contrast = 0.549, Connect. = 0.743 for dens.mod. cycle 7 = 0.300, Contrast = 0.551, Connect. = 0.744 for dens.mod. cycle 8 = 0.300, Contrast = 0.553, Connect. = 0.746 for dens.mod. cycle 9 = 0.300, Contrast = 0.554, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3920 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 818 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 14.727 1.791 0.577 0.496 0.917 0.625 CA 1.165 B: 11 18.965 1.837 0.704 0.835 1.000 0.800 CA 1.435 C: 12 17.904 1.771 0.753 0.851 0.909 0.545 CA 1.416 D: 40 23.207 1.794 0.526 0.584 0.974 0.615 CB 1.284 E: 13 9.356 1.693 0.764 0.602 0.750 0.667 CB 1.095 F: 12 21.483 1.854 0.904 0.816 1.000 0.727 CA 1.395 12 residues pruned to eliminate duplicates G: 10 18.694 1.940 0.772 0.731 1.000 0.778 CB 1.473 H: 19 12.570 1.676 0.468 0.602 1.000 0.722 CA 1.092 17 residues pruned to eliminate duplicates I: 33 21.385 1.841 0.574 0.537 0.938 0.594 CB 1.342 34 residues pruned to eliminate duplicates J: 7 7.482 1.681 0.248 0.798 0.833 0.333 CA 1.346 K: 44 20.875 1.811 0.572 0.517 0.907 0.512 CB 1.213 44 residues pruned to eliminate duplicates L: 22 14.428 1.730 0.455 0.785 0.952 0.667 CB 1.022 M: 9 4.846 1.577 0.204 0.515 0.875 0.625 CB 1.016 N: 9 6.016 1.755 0.050 0.692 0.875 0.625 CB 1.107 6 residues pruned to eliminate duplicates O: 10 7.835 1.828 0.188 0.800 1.000 0.556 CB 0.926 10 residues pruned to eliminate duplicates P: 7 6.712 1.883 -0.031 0.903 1.000 1.000 CB 1.071 Q: 9 10.576 1.830 0.484 0.780 0.875 0.750 CB 1.229 7 residues pruned to eliminate duplicates R: 8 7.633 1.690 0.469 0.481 1.000 0.429 CB 1.185 S: 13 18.185 1.723 0.905 0.813 1.000 0.917 CB 1.218 13 residues pruned to eliminate duplicates T: 9 7.544 1.957 0.162 0.424 0.875 0.625 CA 1.450 U: 12 14.067 1.779 0.799 0.706 0.909 0.909 CA 1.208 V: 17 12.749 1.571 0.417 0.805 1.000 0.562 CB 1.097 W: 13 14.197 1.677 1.252 0.710 0.917 0.833 CA 0.978 X: 22 15.365 1.780 0.457 0.583 0.905 0.810 CA 1.319 Y: 12 10.563 1.686 0.364 0.803 1.000 0.636 CB 1.063 12 residues pruned to eliminate duplicates Z: 10 18.238 1.959 0.858 0.763 1.000 1.000 CB 1.323 10 residues pruned to eliminate duplicates Z: 6 9.916 1.965 0.138 0.879 1.000 1.000 CB 1.438 6 residues pruned to eliminate duplicates Z: 11 10.994 1.844 0.055 0.895 1.000 1.000 CB 1.281 Z: 8 9.104 1.640 0.760 0.837 1.000 0.857 CB 0.891 10 residues pruned to eliminate duplicates Z: 8 9.160 1.744 0.272 0.749 1.000 0.714 CA 1.250 Z: 13 14.909 1.770 0.818 0.636 0.917 0.667 CB 1.284 Z: 6 5.962 1.578 0.515 0.732 0.800 0.600 N 1.132 Z: 16 11.774 1.817 0.801 0.497 0.933 0.667 CB 0.998 Z: 14 13.786 1.629 0.842 0.842 0.923 0.692 CA 1.029 Z: 7 9.967 1.791 0.891 0.701 0.833 0.833 N 1.201 Z: 7 4.761 1.751 0.619 0.260 0.833 0.333 CB 1.082 6 residues pruned to eliminate duplicates Z: 37 18.899 1.773 0.500 0.561 0.917 0.639 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 9.707 1.764 0.144 0.896 1.000 0.857 CB 1.302 8 residues pruned to eliminate duplicates Z: 20 12.200 1.869 0.753 0.459 0.895 0.579 CB 0.995 15 residues pruned to eliminate duplicates Z: 11 6.961 1.810 0.540 0.352 0.800 0.500 N 1.159 7 residues pruned to eliminate duplicates Z: 11 7.080 1.701 0.457 0.694 0.700 0.600 CB 1.080 11 residues pruned to eliminate duplicates Z: 44 23.275 1.768 0.590 0.552 0.977 0.651 CB 1.229 44 residues pruned to eliminate duplicates Z: 11 14.692 1.798 0.615 0.829 1.000 0.900 CA 1.203 11 residues pruned to eliminate duplicates Z: 17 9.544 1.706 0.274 0.420 0.938 0.625 CB 1.273 17 residues pruned to eliminate duplicates Z: 12 16.756 1.840 0.456 0.891 1.000 0.909 CB 1.356 11 residues pruned to eliminate duplicates Z: 9 6.362 1.710 0.922 0.222 0.875 0.375 CB 1.083 Z: 10 15.034 1.921 0.784 0.659 0.889 0.889 CB 1.419 10 residues pruned to eliminate duplicates Z: 16 14.049 1.612 0.532 0.779 0.933 0.533 CB 1.231 Z: 8 13.218 1.786 0.813 0.772 1.000 0.857 CB 1.213 Z: 21 11.472 1.557 0.491 0.499 0.900 0.650 N 1.229 19 residues pruned to eliminate duplicates Z: 11 11.369 1.779 0.333 0.918 1.000 1.000 CA 1.069 11 residues pruned to eliminate duplicates Z: 9 5.919 1.690 0.690 0.416 0.875 0.375 CB 0.915 Z: 16 19.996 1.659 0.864 0.860 1.000 0.667 CA 1.228 16 residues pruned to eliminate duplicates Z: 19 22.165 1.834 0.681 0.829 0.944 0.611 CB 1.351 17 residues pruned to eliminate duplicates Z: 11 14.846 1.787 0.685 0.763 1.000 1.000 CA 1.235 12 residues pruned to eliminate duplicates Z: 8 11.204 1.733 0.729 0.731 1.000 1.000 CB 1.149 8 residues pruned to eliminate duplicates Z: 17 20.444 1.801 0.870 0.665 0.938 0.875 CA 1.389 12 residues pruned to eliminate duplicates Z: 13 12.170 1.665 0.595 0.812 1.000 0.667 CA 1.008 14 residues pruned to eliminate duplicates Z: 14 19.856 1.743 0.806 0.937 1.000 0.923 CB 1.218 Z: 13 9.560 1.636 0.730 0.554 0.750 0.750 N 1.234 9 residues pruned to eliminate duplicates Z: 11 19.940 1.782 0.790 0.922 1.000 0.800 CB 1.390 11 residues pruned to eliminate duplicates Z: 6 3.361 1.658 0.100 0.498 0.800 0.800 CB 1.032 Z: 12 18.392 1.753 0.894 0.831 1.000 0.727 CA 1.254 13 residues pruned to eliminate duplicates 8 1.747 1.323 0.022 0.235 0.857 0.429 CB 0.775 ? Z: 12 9.762 1.651 0.613 0.691 0.909 0.545 CB 1.021 12 residues pruned to eliminate duplicates Z: 22 10.969 1.698 0.349 0.541 1.000 0.524 CB 1.004 20 residues pruned to eliminate duplicates Z: 12 10.094 1.525 0.628 0.806 0.909 0.636 CB 1.032 Z: 7 7.121 1.655 0.710 0.612 0.833 0.500 CB 1.109 Z: 12 15.604 1.754 0.599 0.902 1.000 0.909 CA 1.196 12 residues pruned to eliminate duplicates Z: 12 13.395 1.798 0.290 0.732 1.000 0.636 CB 1.413 11 residues pruned to eliminate duplicates Z: 11 13.675 1.677 0.618 0.659 1.000 0.700 CB 1.376 6 1.368 1.663 -0.020 0.327 0.600 0.400 CB 0.757 ? Z: 10 7.881 1.541 0.441 0.840 1.000 0.889 CB 0.883 Z: 18 16.694 1.750 0.941 0.729 1.000 0.706 CB 0.969 Z: 6 9.163 1.900 0.303 0.877 1.000 1.000 CA 1.201 6 residues pruned to eliminate duplicates Z: 11 7.196 1.603 0.474 0.677 0.900 0.500 CB 0.909 Z: 7 10.967 1.757 0.776 0.735 0.833 0.833 CA 1.394 7 residues pruned to eliminate duplicates Z: 9 10.134 1.761 0.715 0.756 0.875 0.875 CA 1.079 Z: 13 10.693 1.704 0.415 0.836 0.833 0.750 CB 1.149 13 residues pruned to eliminate duplicates Z: 15 11.655 1.684 0.267 0.827 0.929 0.857 CA 1.185 Z: 11 8.025 1.702 0.880 0.376 0.900 0.500 CB 1.006 Z: 17 13.595 1.713 0.653 0.651 0.812 0.688 N 1.284 14 residues pruned to eliminate duplicates Z: 8 7.121 1.664 0.135 0.676 1.000 0.714 CB 1.211 Z: 9 4.482 1.696 0.301 0.354 0.875 0.375 CA 0.961 9 residues pruned to eliminate duplicates Z: 13 19.521 1.751 0.902 0.796 1.000 0.500 CA 1.305 13 residues pruned to eliminate duplicates Z: 13 18.402 1.853 0.658 0.769 0.917 0.917 CB 1.486 13 residues pruned to eliminate duplicates Z: 8 9.120 1.743 0.520 0.780 0.714 0.714 N 1.424 7 residues pruned to eliminate duplicates Z: 9 10.199 1.567 0.603 0.751 1.000 0.625 CA 1.147 Z: 8 10.281 1.723 0.612 0.660 0.857 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 13 13.926 1.648 0.983 0.723 0.833 0.833 CA 1.207 13 residues pruned to eliminate duplicates Z: 11 15.298 1.813 0.737 0.823 1.000 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 11 5.589 1.553 0.560 0.805 0.900 0.900 CB 0.621 Z: 13 9.902 1.721 0.219 0.848 0.917 0.667 N 1.103 10 residues pruned to eliminate duplicates Z: 10 4.692 1.601 0.192 0.513 0.778 0.556 CB 1.039 Z: 13 17.735 1.752 0.744 0.887 1.000 0.917 CB 1.208 11 residues pruned to eliminate duplicates Z: 12 10.227 1.529 0.616 0.786 0.909 0.455 CA 1.068 Z: 17 17.015 1.802 0.872 0.577 0.938 0.688 CA 1.249 16 residues pruned to eliminate duplicates Z: 7 2.451 1.496 0.358 0.300 0.667 0.500 CB 0.924 Z: 6 4.587 1.736 0.014 0.752 1.000 1.000 CB 0.931 6 residues pruned to eliminate duplicates Z: 12 12.012 1.683 0.631 0.919 1.000 0.636 CB 0.930 12 residues pruned to eliminate duplicates Z: 13 11.419 1.557 0.611 0.830 1.000 0.583 CB 0.988 Z: 20 9.872 1.719 0.569 0.450 0.895 0.421 CB 0.987 9 residues pruned to eliminate duplicates Z: 6 3.587 1.431 0.507 0.460 0.800 0.600 O 0.969 Z: 9 4.809 1.367 0.302 0.634 0.750 0.375 CB 1.123 Z: 13 10.466 1.476 0.440 0.810 1.000 0.667 CB 1.086 Z: 12 15.784 1.860 0.535 0.902 0.909 0.909 CA 1.308 12 residues pruned to eliminate duplicates Z: 16 6.176 1.503 0.422 0.399 0.933 0.467 CB 0.889 Z: 10 7.540 1.597 0.370 0.525 0.889 0.556 N 1.262 10 residues pruned to eliminate duplicates Z: 10 10.363 1.610 1.144 0.731 0.778 0.778 N 1.045 10 residues pruned to eliminate duplicates Z: 15 15.669 1.682 0.558 0.861 1.000 0.714 CB 1.174 15 residues pruned to eliminate duplicates Z: 10 3.938 1.454 0.393 0.347 0.778 0.556 CB 0.985 10 residues pruned to eliminate duplicates Z: 8 9.597 1.582 0.604 0.772 0.857 0.571 N 1.311 8 residues pruned to eliminate duplicates Z: 23 11.449 1.663 0.363 0.525 0.818 0.455 CB 1.284 15 residues pruned to eliminate duplicates Z: 14 9.879 1.714 0.434 0.485 0.923 0.615 CB 1.226 7 residues pruned to eliminate duplicates Z: 11 10.847 1.472 0.847 0.800 1.000 0.700 CB 0.971 10 residues pruned to eliminate duplicates Z: 14 15.403 1.681 0.487 0.932 1.000 0.923 CB 1.193 14 residues pruned to eliminate duplicates Z: 11 15.833 1.905 0.933 0.613 0.900 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 11 17.124 1.773 0.906 0.910 0.900 0.900 CB 1.263 11 residues pruned to eliminate duplicates Z: 15 14.734 1.817 0.715 0.677 0.857 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 16 11.789 1.754 0.259 0.827 1.000 0.667 CA 1.039 16 residues pruned to eliminate duplicates Z: 17 13.702 1.700 0.474 0.551 0.938 0.812 CB 1.388 17 residues pruned to eliminate duplicates Z: 14 15.644 1.638 0.823 0.855 0.923 0.692 CB 1.162 13 residues pruned to eliminate duplicates Z: 43 22.805 1.784 0.631 0.521 0.952 0.548 CB 1.245 43 residues pruned to eliminate duplicates Z: 14 15.657 1.775 0.264 0.909 1.000 1.000 CA 1.373 14 residues pruned to eliminate duplicates Z: 9 11.598 1.663 0.767 0.778 0.875 0.625 N 1.248 8 residues pruned to eliminate duplicates Z: 18 16.848 1.795 0.599 0.654 0.941 0.824 CB 1.311 19 residues pruned to eliminate duplicates Z: 17 12.544 1.605 0.566 0.800 0.812 0.562 CA 1.181 17 residues pruned to eliminate duplicates Z: 22 11.096 1.706 0.348 0.538 0.952 0.619 CB 1.065 22 residues pruned to eliminate duplicates Z: 11 3.790 1.618 0.167 0.374 0.700 0.600 CB 1.038 Z: 10 2.763 1.490 0.430 0.274 0.667 0.333 N 0.838 10 residues pruned to eliminate duplicates Z: 12 16.508 1.786 0.546 0.768 1.000 0.727 CB 1.422 12 residues pruned to eliminate duplicates Z: 11 4.931 1.574 0.207 0.582 0.800 0.600 CB 0.948 Z: 15 10.168 1.655 0.215 0.875 1.000 0.857 CB 0.983 15 residues pruned to eliminate duplicates Z: 15 15.555 1.588 1.058 0.748 1.000 0.714 CB 1.019 15 residues pruned to eliminate duplicates Z: 17 15.489 1.676 0.620 0.812 0.938 0.562 CA 1.160 17 residues pruned to eliminate duplicates Z: 6 2.606 1.305 0.255 0.680 0.800 0.600 CB 0.753 Z: 13 9.089 1.611 0.373 0.847 1.000 0.917 CB 0.880 13 residues pruned to eliminate duplicates Z: 10 8.304 1.621 0.844 0.546 0.778 0.444 CA 1.139 10 residues pruned to eliminate duplicates Z: 11 6.879 1.553 0.200 0.907 1.000 1.000 CB 0.830 10 residues pruned to eliminate duplicates Z: 8 5.238 1.802 0.327 0.326 0.857 0.429 CA 1.169 8 residues pruned to eliminate duplicates Z: 13 9.004 1.600 0.493 0.733 1.000 0.750 CB 0.882 8 residues pruned to eliminate duplicates Z: 6 5.335 1.659 0.338 0.798 0.600 0.400 CB 1.380 7 residues pruned to eliminate duplicates Z: 8 3.597 1.591 0.234 0.436 0.857 0.286 CB 0.864 Z: 34 13.805 1.726 0.416 0.421 0.879 0.606 CB 1.215 34 residues pruned to eliminate duplicates Z: 14 16.717 1.726 0.645 0.907 1.000 0.769 CB 1.160 14 residues pruned to eliminate duplicates Z: 14 21.591 1.794 0.612 0.921 1.000 0.923 CB 1.458 14 residues pruned to eliminate duplicates Z: 19 14.849 1.937 0.687 0.482 0.944 0.667 CB 1.156 27 residues pruned to eliminate duplicates Z: 14 15.800 1.773 0.463 0.753 1.000 0.769 CA 1.348 14 residues pruned to eliminate duplicates Z: 15 14.717 1.637 0.687 0.731 0.857 0.500 CB 1.350 15 residues pruned to eliminate duplicates Z: 24 15.365 1.609 0.733 0.777 0.913 0.609 CB 0.985 25 residues pruned to eliminate duplicates Z: 11 3.338 1.594 0.089 0.228 0.700 0.400 CB 1.192 Z: 6 4.224 1.613 0.683 0.526 0.600 0.600 CB 1.130 Z: 8 4.638 1.439 0.664 0.490 0.857 0.571 CB 0.863 Z: 7 6.802 1.610 0.309 0.865 1.000 0.667 CB 0.965 Z: 15 15.523 1.820 0.498 0.815 1.000 0.714 CA 1.157 16 residues pruned to eliminate duplicates Z: 31 15.554 1.666 0.452 0.477 0.900 0.667 CB 1.335 20 residues pruned to eliminate duplicates Z: 10 4.828 1.478 0.005 0.643 1.000 0.667 N 0.948 Z: 13 14.270 1.887 0.682 0.583 0.833 0.750 CB 1.438 13 residues pruned to eliminate duplicates Z: 11 10.200 1.716 0.090 0.901 1.000 0.800 CB 1.230 11 residues pruned to eliminate duplicates Z: 15 12.809 1.765 0.835 0.602 0.786 0.714 CB 1.221 12 residues pruned to eliminate duplicates Z: 12 11.668 1.927 0.542 0.450 1.000 0.455 CB 1.246 12 residues pruned to eliminate duplicates 9 1.694 1.426 0.385 0.302 0.625 0.375 CB 0.605 ? Z: 6 7.235 1.554 0.778 0.842 0.800 0.800 CB 1.091 Z: 8 12.861 1.736 0.627 0.830 1.000 0.714 CA 1.294 10 residues pruned to eliminate duplicates Z: 10 6.699 1.667 0.615 0.408 0.778 0.444 CB 1.174 9 residues pruned to eliminate duplicates Z: 7 6.480 1.689 0.146 0.830 0.833 0.833 CB 1.233 7 residues pruned to eliminate duplicates Z: 16 9.987 1.603 0.506 0.807 0.733 0.467 CB 1.115 21 residues pruned to eliminate duplicates Z: 8 4.867 1.575 0.560 0.397 0.714 0.286 N 1.168 Z: 10 8.063 1.642 0.278 0.829 0.889 0.778 CB 1.084 10 residues pruned to eliminate duplicates Z: 8 6.789 1.575 0.251 0.876 1.000 0.714 N 0.947 6 residues pruned to eliminate duplicates Z: 6 2.991 1.506 0.300 0.473 0.600 0.600 CB 1.170 Z: 12 17.282 1.915 0.779 0.681 1.000 0.818 CB 1.296 12 residues pruned to eliminate duplicates Z: 6 8.949 1.778 0.571 0.532 1.000 0.400 O 1.389 Z: 18 12.254 1.628 0.833 0.451 0.941 0.588 N 1.112 16 residues pruned to eliminate duplicates Z: 6 5.657 1.392 0.588 0.805 0.800 0.800 N 1.096 Z: 11 9.183 1.491 0.371 0.567 1.000 0.800 N 1.331 16 residues pruned to eliminate duplicates Z: 7 7.081 1.615 0.367 0.791 0.833 0.500 N 1.217 6 residues pruned to eliminate duplicates Z: 7 3.305 1.594 -0.210 0.512 0.833 0.333 C 1.270 Z: 6 3.885 1.416 0.343 0.439 1.000 0.600 CB 0.973 Z: 15 10.324 1.872 0.354 0.490 0.929 0.500 CB 1.184 15 residues pruned to eliminate duplicates Z: 6 9.513 1.749 0.216 0.851 1.000 0.800 N 1.480 6 residues pruned to eliminate duplicates Z: 6 6.506 1.673 0.383 0.827 1.000 0.600 CB 0.948 5 residues pruned to eliminate duplicates Z: 15 14.754 1.810 0.412 0.845 1.000 0.857 CA 1.147 15 residues pruned to eliminate duplicates Z: 8 8.879 1.748 0.418 0.690 1.000 0.714 CB 1.138 Z: 10 7.878 1.616 0.528 0.740 0.778 0.556 CA 1.103 Z: 10 10.959 1.686 0.789 0.657 1.000 0.444 N 1.047 10 residues pruned to eliminate duplicates Z: 8 11.285 1.702 0.539 0.826 1.000 0.571 CA 1.227 8 residues pruned to eliminate duplicates Z: 13 12.303 1.746 0.471 0.831 0.917 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 7 8.018 1.681 0.138 0.795 1.000 0.833 CA 1.321 7 residues pruned to eliminate duplicates Z: 8 7.277 1.557 0.208 0.896 1.000 0.857 CA 1.047 8 residues pruned to eliminate duplicates Z: 45 15.847 1.688 0.468 0.449 0.909 0.545 CB 1.117 40 residues pruned to eliminate duplicates Z: 24 9.714 1.662 0.341 0.466 0.913 0.565 CB 1.031 24 residues pruned to eliminate duplicates Z: 6 7.048 1.666 0.429 0.859 1.000 1.000 CB 0.974 5 residues pruned to eliminate duplicates Z: 17 11.026 1.594 0.548 0.748 0.812 0.625 CB 1.102 17 residues pruned to eliminate duplicates Z: 10 10.070 1.651 0.683 0.551 0.889 0.556 N 1.293 Z: 15 16.158 1.766 0.532 0.873 1.000 0.786 CA 1.163 15 residues pruned to eliminate duplicates Z: 7 2.804 1.553 0.294 0.357 0.667 0.500 CB 0.997 7 residues pruned to eliminate duplicates Z: 10 6.803 1.763 0.500 0.434 0.889 0.556 CA 1.033 12 residues pruned to eliminate duplicates Z: 15 13.121 1.621 0.608 0.866 0.857 0.714 CB 1.149 15 residues pruned to eliminate duplicates Z: 11 14.459 1.654 0.731 0.713 1.000 1.000 CB 1.316 11 residues pruned to eliminate duplicates Z: 12 10.569 1.630 0.749 0.821 0.909 0.818 CB 0.931 12 residues pruned to eliminate duplicates Z: 12 17.109 1.855 0.620 0.805 1.000 0.455 CB 1.315 12 residues pruned to eliminate duplicates Z: 7 6.497 1.848 0.507 0.589 0.833 0.833 CA 1.049 7 residues pruned to eliminate duplicates Z: 12 11.179 1.740 0.661 0.539 0.818 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 6 3.853 1.666 0.587 0.291 0.800 0.600 CB 1.030 Z: 9 9.261 1.853 0.141 0.850 1.000 0.875 CA 1.148 9 residues pruned to eliminate duplicates Z: 12 17.807 1.746 0.636 0.928 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 13 7.240 1.556 0.285 0.476 0.917 0.583 CA 1.168 6 residues pruned to eliminate duplicates Z: 25 15.832 1.676 0.559 0.639 0.958 0.750 CB 1.133 17 residues pruned to eliminate duplicates Z: 6 4.413 1.377 0.379 0.676 0.800 0.800 O 1.105 6 residues pruned to eliminate duplicates Z: 14 13.232 1.756 0.614 0.500 0.923 0.692 CB 1.403 Z: 11 17.516 1.858 0.961 0.755 0.900 0.800 CA 1.347 11 residues pruned to eliminate duplicates Z: 14 11.977 1.702 0.322 0.813 1.000 0.769 CA 1.125 13 residues pruned to eliminate duplicates Z: 23 10.202 1.627 0.781 0.469 0.955 0.773 CA 0.811 11 residues pruned to eliminate duplicates Z: 11 4.747 1.482 0.597 0.391 0.800 0.300 CB 0.890 Z: 13 17.035 1.755 0.757 0.851 1.000 0.667 CB 1.180 12 residues pruned to eliminate duplicates Z: 13 8.768 1.845 0.393 0.483 0.750 0.500 CB 1.336 13 residues pruned to eliminate duplicates Z: 12 17.522 1.729 0.694 0.934 1.000 0.727 CA 1.258 12 residues pruned to eliminate duplicates Z: 11 9.624 1.673 0.372 0.754 0.900 0.700 N 1.175 12 residues pruned to eliminate duplicates Z: 8 8.821 1.557 0.822 0.837 0.714 0.429 CA 1.230 8 residues pruned to eliminate duplicates Z: 9 2.764 1.584 0.180 0.456 0.750 0.500 CB 0.729 Z: 12 14.361 1.826 0.308 0.886 1.000 1.000 CA 1.308 13 residues pruned to eliminate duplicates Z: 11 9.652 1.729 0.299 0.847 1.000 1.000 CB 1.009 11 residues pruned to eliminate duplicates Z: 38 19.190 1.707 0.671 0.598 0.892 0.595 CB 1.129 26 residues pruned to eliminate duplicates Z: 13 10.922 1.779 0.300 0.544 1.000 0.750 CB 1.306 13 residues pruned to eliminate duplicates Z: 11 10.548 1.755 0.442 0.642 0.900 0.600 CB 1.282 11 residues pruned to eliminate duplicates Z: 6 2.712 1.513 0.338 0.464 0.600 0.600 C 1.036 Z: 7 2.120 1.430 0.438 0.408 0.667 0.667 N 0.696 Z: 7 7.419 1.582 0.308 0.872 0.833 0.833 CB 1.280 7 residues pruned to eliminate duplicates Z: 8 4.654 1.494 0.449 0.354 0.857 0.429 CA 1.110 Z: 7 2.984 1.299 0.722 0.729 0.833 0.667 CA 0.531 3 residues pruned to eliminate duplicates Z: 10 3.448 1.388 0.338 0.282 0.889 0.333 CB 0.891 Z: 7 2.615 1.600 0.267 0.821 1.000 0.667 CB 0.399 7 residues pruned to eliminate duplicates Z: 7 3.673 1.445 0.507 0.624 0.667 0.667 CA 0.918 7 residues pruned to eliminate duplicates Z: 10 9.683 1.579 0.519 0.790 1.000 0.889 CB 1.044 10 residues pruned to eliminate duplicates 6 1.647 1.297 -0.018 0.447 0.600 0.600 CB 1.017 ? Z: 13 19.941 1.751 0.745 0.886 1.000 0.833 CB 1.359 13 residues pruned to eliminate duplicates Z: 8 7.228 1.628 0.335 0.821 1.000 0.571 CB 0.952 8 residues pruned to eliminate duplicates Z: 11 4.454 1.640 0.206 0.603 0.800 0.600 CB 0.807 Z: 17 8.533 1.658 0.320 0.329 0.875 0.438 CA 1.344 17 residues pruned to eliminate duplicates Z: 11 14.179 1.713 0.359 0.917 1.000 0.700 CA 1.359 14 residues pruned to eliminate duplicates Z: 24 11.068 1.631 0.519 0.515 0.913 0.652 CB 1.006 24 residues pruned to eliminate duplicates Z: 8 11.730 1.517 0.764 0.840 1.000 0.857 CB 1.236 Z: 13 11.963 1.801 0.253 0.855 1.000 0.833 CA 1.130 13 residues pruned to eliminate duplicates Z: 10 2.632 1.374 0.394 0.167 0.667 0.333 CB 1.030 Z: 6 4.314 1.666 0.473 0.804 0.800 0.800 CB 0.754 6 residues pruned to eliminate duplicates Z: 13 22.136 1.834 0.914 0.856 1.000 0.750 CA 1.342 13 residues pruned to eliminate duplicates Z: 10 7.454 1.393 0.280 0.805 0.889 0.556 CA 1.201 10 residues pruned to eliminate duplicates Z: 20 11.936 1.731 0.729 0.364 0.895 0.579 CA 1.183 20 residues pruned to eliminate duplicates Z: 14 23.670 1.800 0.938 0.932 1.000 0.923 CB 1.314 14 residues pruned to eliminate duplicates Z: 9 7.099 1.630 0.365 0.892 1.000 0.875 CB 0.810 9 residues pruned to eliminate duplicates Z: 16 8.078 1.573 0.505 0.419 0.867 0.533 CB 1.106 16 residues pruned to eliminate duplicates Z: 11 15.310 1.802 0.632 0.907 1.000 0.900 CB 1.170 11 residues pruned to eliminate duplicates Z: 6 3.408 1.371 1.392 0.710 0.800 0.600 CB 0.480 6 residues pruned to eliminate duplicates Z: 16 11.724 1.807 0.652 0.511 0.867 0.733 CB 1.158 16 residues pruned to eliminate duplicates Z: 29 12.115 1.615 0.632 0.497 0.929 0.643 CB 0.938 29 residues pruned to eliminate duplicates Z: 9 4.654 1.475 0.104 0.878 1.000 0.875 CA 0.733 9 residues pruned to eliminate duplicates Z: 33 14.805 1.752 0.473 0.463 0.906 0.531 CB 1.163 33 residues pruned to eliminate duplicates Z: 10 11.716 1.766 0.554 0.793 1.000 1.000 CA 1.101 11 residues pruned to eliminate duplicates Z: 12 11.727 1.734 0.459 0.604 1.000 0.727 CB 1.266 11 residues pruned to eliminate duplicates Z: 14 8.451 1.734 0.672 0.541 0.923 0.769 CA 0.841 14 residues pruned to eliminate duplicates Z: 27 16.022 1.726 0.513 0.531 0.923 0.615 CA 1.264 27 residues pruned to eliminate duplicates Z: 23 10.612 1.680 0.475 0.448 0.818 0.591 CB 1.176 26 residues pruned to eliminate duplicates Z: 17 9.473 1.762 0.193 0.535 1.000 0.625 CB 1.088 17 residues pruned to eliminate duplicates Z: 12 19.223 1.822 0.828 0.785 1.000 0.727 CA 1.355 12 residues pruned to eliminate duplicates Z: 7 2.946 1.426 0.358 0.528 0.833 0.500 CB 0.725 Z: 10 5.804 1.565 0.605 0.800 0.889 0.667 CA 0.667 Z: 6 3.166 1.315 0.666 0.443 0.800 0.400 CB 0.857 Z: 6 2.899 1.616 -0.096 0.399 0.800 0.600 CB 1.234 17 residues pruned to eliminate duplicates Z: 7 7.696 1.637 0.396 0.697 1.000 0.500 CB 1.149 7 residues pruned to eliminate duplicates Z: 7 3.943 1.348 0.514 0.558 0.833 0.667 CB 0.895 Z: 8 7.597 1.540 0.293 0.840 1.000 0.714 CB 1.076 8 residues pruned to eliminate duplicates Z: 12 12.504 1.730 0.529 0.871 1.000 0.818 CB 1.040 12 residues pruned to eliminate duplicates Z: 14 3.138 1.586 -0.040 0.207 0.692 0.462 N 1.168 9 residues pruned to eliminate duplicates Z: 8 11.095 1.544 0.636 0.912 1.000 0.857 CB 1.175 8 residues pruned to eliminate duplicates Z: 27 13.717 1.799 0.645 0.421 0.846 0.615 CA 1.166 27 residues pruned to eliminate duplicates Z: 15 11.275 1.598 0.655 0.839 0.857 0.571 CB 0.993 11 residues pruned to eliminate duplicates Z: 12 9.610 1.426 0.452 0.818 0.909 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 12 9.547 1.542 0.496 0.811 0.909 0.636 CB 1.047 12 residues pruned to eliminate duplicates Z: 7 8.531 1.630 0.237 0.784 1.000 0.667 CB 1.345 7 residues pruned to eliminate duplicates Z: 14 12.535 1.798 0.784 0.567 0.923 0.846 CA 1.100 14 residues pruned to eliminate duplicates Z: 17 13.748 1.793 0.458 0.516 0.938 0.688 CB 1.381 17 residues pruned to eliminate duplicates Z: 7 3.850 1.665 0.205 0.384 1.000 0.500 CB 0.886 7 residues pruned to eliminate duplicates Z: 16 9.907 1.500 0.706 0.455 0.933 0.533 CB 1.121 Z: 11 10.644 1.645 0.573 0.660 0.900 0.600 CA 1.246 Z: 18 10.842 1.772 0.194 0.598 1.000 0.647 CA 1.131 18 residues pruned to eliminate duplicates Z: 10 7.375 1.334 1.023 0.654 0.778 0.556 N 1.014 10 residues pruned to eliminate duplicates Z: 8 7.510 1.519 0.438 0.698 0.857 0.429 CA 1.265 15 residues pruned to eliminate duplicates Z: 6 7.213 1.581 0.924 0.644 0.800 0.400 CB 1.159 Z: 12 14.057 1.777 0.541 0.838 0.909 0.545 CB 1.273 12 residues pruned to eliminate duplicates Z: 7 3.632 1.569 0.192 0.408 0.833 0.500 CB 1.048 Z: 6 2.201 1.725 0.178 0.375 0.800 0.400 CB 0.692 Z: 6 5.346 1.494 0.565 0.674 1.000 0.600 CA 0.871 Z: 8 3.220 1.404 0.728 0.425 0.714 0.429 CB 0.759 8 residues pruned to eliminate duplicates Z: 7 4.823 1.530 1.126 0.867 1.000 1.000 CB 0.443 Z: 11 11.378 1.565 0.580 0.823 1.000 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 11 3.344 1.412 0.398 0.342 0.700 0.500 CB 0.910 Z: 22 14.566 1.641 0.647 0.755 0.905 0.524 CB 1.036 22 residues pruned to eliminate duplicates Z: 6 4.049 1.607 0.139 0.573 0.800 0.600 CB 1.153 Z: 7 3.209 1.476 0.606 0.578 0.833 0.333 CB 0.615 Z: 18 8.908 1.734 0.252 0.565 0.941 0.647 CA 0.993 18 residues pruned to eliminate duplicates Z: 18 11.988 1.688 0.579 0.618 0.824 0.706 CB 1.185 18 residues pruned to eliminate duplicates Z: 13 17.154 1.679 0.716 0.892 1.000 0.500 CB 1.235 13 residues pruned to eliminate duplicates Z: 9 7.895 1.651 0.626 0.865 0.875 0.625 CB 0.871 9 residues pruned to eliminate duplicates Z: 6 3.505 1.431 0.292 0.793 0.800 0.800 N 0.819 6 residues pruned to eliminate duplicates Z: 6 7.812 1.658 0.520 0.860 1.000 1.000 CB 1.019 6 residues pruned to eliminate duplicates Z: 25 9.959 1.561 0.350 0.481 0.875 0.500 CB 1.124 19 residues pruned to eliminate duplicates Z: 12 6.140 1.572 0.167 0.747 0.727 0.455 CB 1.112 12 residues pruned to eliminate duplicates Z: 51 25.535 1.747 0.581 0.595 0.980 0.620 CB 1.218 50 residues pruned to eliminate duplicates Z: 8 5.954 1.655 0.648 0.382 0.714 0.429 CA 1.309 14 residues pruned to eliminate duplicates Z: 12 14.282 1.730 0.497 0.791 1.000 0.818 CA 1.288 12 residues pruned to eliminate duplicates Z: 6 4.289 1.617 0.656 0.454 0.600 0.400 CA 1.251 Z: 15 9.920 1.547 0.462 0.879 1.000 0.643 CB 0.850 15 residues pruned to eliminate duplicates Z: 14 13.193 1.855 0.655 0.591 0.923 0.692 CA 1.183 14 residues pruned to eliminate duplicates Z: 11 10.370 1.617 0.791 0.822 0.800 0.400 CB 1.070 11 residues pruned to eliminate duplicates 6 1.940 1.389 0.123 0.672 0.800 0.600 CB 0.593 ? Z: 12 13.957 1.677 0.522 0.831 0.909 0.636 CA 1.363 12 residues pruned to eliminate duplicates Z: 6 2.419 1.406 0.615 0.347 0.600 0.600 CB 0.937 Z: 9 7.061 1.316 0.470 0.804 1.000 0.875 CB 0.990 Z: 9 11.035 1.551 0.708 0.857 0.875 0.750 CA 1.240 9 residues pruned to eliminate duplicates Z: 6 13.434 1.756 0.767 0.825 1.000 0.800 N 1.461 6 residues pruned to eliminate duplicates Z: 20 7.841 1.546 0.531 0.402 0.737 0.579 CB 1.143 23 residues pruned to eliminate duplicates Z: 35 21.037 1.710 0.645 0.654 0.912 0.765 CB 1.218 34 residues pruned to eliminate duplicates 6 1.016 1.150 0.513 0.292 0.600 0.400 CB 0.549 ? Z: 12 9.582 1.712 0.264 0.858 1.000 0.909 CB 0.983 12 residues pruned to eliminate duplicates Z: 18 7.217 1.580 0.400 0.523 0.941 0.588 CB 0.822 18 residues pruned to eliminate duplicates Z: 14 13.448 1.674 0.356 0.824 1.000 0.769 CB 1.241 14 residues pruned to eliminate duplicates Z: 14 6.276 1.678 0.182 0.331 0.846 0.615 CA 1.249 9 residues pruned to eliminate duplicates Z: 10 12.082 1.724 0.619 0.710 0.889 0.667 CB 1.342 11 residues pruned to eliminate duplicates Z: 10 7.451 1.507 0.646 0.753 0.889 0.556 N 0.899 10 residues pruned to eliminate duplicates Z: 6 2.010 1.492 0.345 0.298 0.800 0.600 CB 0.702 Z: 12 9.250 1.662 0.447 0.736 0.909 0.636 CB 1.032 20 residues pruned to eliminate duplicates Z: 16 12.912 1.560 0.551 0.837 1.000 0.733 CA 1.030 16 residues pruned to eliminate duplicates Z: 14 11.947 1.572 0.304 0.871 1.000 0.846 CB 1.178 14 residues pruned to eliminate duplicates Z: 10 4.873 1.471 0.394 0.771 0.889 0.778 CB 0.701 7 residues pruned to eliminate duplicates Z: 16 9.072 1.516 0.811 0.600 0.800 0.533 CB 0.970 13 residues pruned to eliminate duplicates Z: 14 4.227 1.520 0.346 0.255 0.769 0.308 CB 0.987 Z: 8 3.598 1.433 0.490 0.346 0.857 0.571 CB 0.878 8 residues pruned to eliminate duplicates Z: 22 10.377 1.636 0.773 0.366 0.857 0.429 CB 1.052 32 residues pruned to eliminate duplicates Z: 7 3.377 1.676 0.534 0.335 0.500 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 10 5.437 1.438 0.148 0.867 1.000 0.556 CB 0.803 10 residues pruned to eliminate duplicates Z: 9 3.614 1.309 0.115 0.405 0.875 0.375 O 1.105 8 residues pruned to eliminate duplicates Z: 9 7.931 1.575 0.439 0.795 1.000 0.750 CB 0.955 9 residues pruned to eliminate duplicates Z: 12 11.267 1.828 0.493 0.527 1.000 0.636 CA 1.213 12 residues pruned to eliminate duplicates Z: 9 7.575 1.578 0.209 0.778 0.875 0.625 CA 1.255 Z: 10 9.575 1.515 0.547 0.866 0.889 0.778 CB 1.122 10 residues pruned to eliminate duplicates Z: 15 11.540 1.528 0.463 0.848 1.000 0.714 CB 1.024 15 residues pruned to eliminate duplicates Z: 10 8.099 1.729 0.798 0.480 0.778 0.556 CB 1.140 10 residues pruned to eliminate duplicates Z: 7 6.744 1.582 0.393 0.891 1.000 1.000 CB 0.898 7 residues pruned to eliminate duplicates Z: 6 3.476 1.386 0.276 0.493 0.800 0.600 C 1.107 5 residues pruned to eliminate duplicates Z: 23 16.134 1.748 0.704 0.631 0.818 0.591 CA 1.248 22 residues pruned to eliminate duplicates Z: 6 3.749 1.495 0.568 0.513 0.800 0.400 O 0.882 Z: 17 9.695 1.508 0.286 0.607 1.000 0.812 N 1.130 15 residues pruned to eliminate duplicates Z: 9 7.479 1.407 0.449 0.811 1.000 0.625 CB 0.989 8 residues pruned to eliminate duplicates Z: 13 10.884 1.560 0.438 0.874 1.000 0.750 CB 1.019 13 residues pruned to eliminate duplicates Z: 19 11.284 1.680 0.368 0.601 0.944 0.667 CA 1.113 19 residues pruned to eliminate duplicates Z: 20 14.943 1.796 0.474 0.606 0.947 0.789 CB 1.235 20 residues pruned to eliminate duplicates Z: 9 11.443 1.688 0.849 0.836 1.000 0.875 CA 0.970 9 residues pruned to eliminate duplicates Z: 6 2.046 1.261 0.601 0.360 0.600 0.400 N 0.879 Z: 16 7.884 1.536 0.551 0.537 0.800 0.600 CB 1.030 16 residues pruned to eliminate duplicates Z: 6 3.440 1.665 -0.242 0.875 1.000 1.000 CB 0.886 5 residues pruned to eliminate duplicates Z: 6 3.880 1.493 0.398 0.548 1.000 0.600 CB 0.793 Z: 12 8.605 1.569 0.339 0.687 0.909 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 7 2.056 1.454 -0.188 0.560 0.833 0.667 N 0.804 Z: 13 7.597 1.632 0.131 0.724 0.917 0.500 N 1.059 13 residues pruned to eliminate duplicates Z: 11 5.077 1.518 0.610 0.515 0.700 0.600 CA 0.925 Z: 11 8.089 1.655 0.277 0.714 0.900 0.700 CA 1.108 11 residues pruned to eliminate duplicates Z: 11 13.966 1.717 0.463 0.915 1.000 1.000 CA 1.242 11 residues pruned to eliminate duplicates Z: 10 4.520 1.702 0.090 0.300 0.889 0.444 CB 1.142 10 residues pruned to eliminate duplicates Z: 37 16.371 1.673 0.482 0.418 0.944 0.500 CA 1.269 39 residues pruned to eliminate duplicates Z: 16 14.443 1.545 0.698 0.863 0.933 0.800 CB 1.118 25 residues pruned to eliminate duplicates Z: 16 10.606 1.550 0.293 0.806 0.933 0.533 CA 1.121 16 residues pruned to eliminate duplicates Z: 7 7.060 1.643 0.344 0.732 1.000 0.667 N 1.059 7 residues pruned to eliminate duplicates Z: 22 11.118 1.711 0.479 0.544 0.905 0.762 CB 1.014 21 residues pruned to eliminate duplicates Z: 13 6.078 1.486 0.982 0.309 0.667 0.417 CB 1.104 10 residues pruned to eliminate duplicates Z: 12 10.607 1.695 0.311 0.799 0.909 0.636 CB 1.220 12 residues pruned to eliminate duplicates Z: 11 15.690 1.853 0.508 0.858 1.000 0.800 CA 1.307 11 residues pruned to eliminate duplicates Z: 11 15.955 1.916 0.439 0.894 1.000 1.000 CA 1.313 11 residues pruned to eliminate duplicates Z: 6 5.505 1.602 0.669 0.574 0.800 0.600 N 1.072 5 residues pruned to eliminate duplicates Z: 16 10.011 1.572 0.448 0.711 0.800 0.667 CB 1.172 16 residues pruned to eliminate duplicates Z: 16 17.486 1.720 0.486 0.887 1.000 0.933 CA 1.273 21 residues pruned to eliminate duplicates Z: 16 9.149 1.633 0.615 0.483 0.867 0.533 CB 1.051 16 residues pruned to eliminate duplicates Z: 6 2.438 1.523 0.111 0.324 0.800 0.600 CB 0.978 Z: 10 3.800 1.536 0.402 0.187 0.778 0.444 N 1.102 10 residues pruned to eliminate duplicates Z: 8 7.522 1.641 0.567 0.606 0.857 0.571 N 1.167 8 residues pruned to eliminate duplicates Z: 6 3.099 1.535 -0.104 0.698 1.000 0.800 CB 0.841 Z: 10 11.917 1.524 0.528 0.905 1.000 1.000 CA 1.214 10 residues pruned to eliminate duplicates Z: 20 12.268 1.777 0.481 0.472 0.842 0.526 CB 1.307 20 residues pruned to eliminate duplicates Z: 7 2.646 1.470 0.213 0.356 0.833 0.667 CB 0.848 Z: 9 2.281 1.346 0.630 0.240 0.750 0.375 C 0.663 Z: 10 10.943 1.674 0.378 0.870 1.000 0.778 CB 1.154 10 residues pruned to eliminate duplicates Z: 9 9.404 1.702 0.698 0.734 0.875 0.750 CB 1.066 9 residues pruned to eliminate duplicates Z: 7 2.096 1.363 0.299 0.702 0.833 0.667 CB 0.483 Z: 11 6.160 1.507 0.574 0.755 0.800 0.800 CB 0.817 11 residues pruned to eliminate duplicates Z: 10 4.711 1.461 0.526 0.365 0.667 0.333 CB 1.222 10 residues pruned to eliminate duplicates Z: 6 4.671 1.504 0.830 0.550 0.800 0.600 CA 0.904 6 residues pruned to eliminate duplicates Z: 6 2.237 1.476 0.232 0.673 1.000 0.800 CB 0.469 Z: 6 8.182 1.590 0.507 0.873 1.000 0.800 N 1.112 6 residues pruned to eliminate duplicates Z: 21 11.518 1.663 0.316 0.587 0.950 0.650 CB 1.141 21 residues pruned to eliminate duplicates Z: 9 9.728 1.608 0.542 0.842 1.000 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 15 15.583 1.693 0.644 0.778 0.929 0.786 N 1.261 15 residues pruned to eliminate duplicates Z: 16 6.213 1.671 0.369 0.266 0.867 0.467 CB 1.057 16 residues pruned to eliminate duplicates Z: 15 10.946 1.822 0.814 0.506 0.714 0.643 CB 1.232 15 residues pruned to eliminate duplicates Z: 11 7.411 1.536 0.851 0.416 0.800 0.600 CB 1.124 Z: 8 8.877 1.783 0.158 0.847 1.000 0.857 CB 1.206 Z: 11 8.036 1.489 0.787 0.544 0.800 0.600 CB 1.144 Z: 23 13.166 1.756 0.670 0.567 0.773 0.545 CB 1.161 23 residues pruned to eliminate duplicates Z: 6 7.012 1.651 0.575 0.659 1.000 0.600 N 1.040 6 residues pruned to eliminate duplicates Z: 39 14.263 1.699 0.466 0.497 0.895 0.605 CB 1.040 39 residues pruned to eliminate duplicates 7 1.973 1.435 0.602 0.183 0.667 0.333 CB 0.770 ? Z: 19 8.824 1.623 0.385 0.479 0.833 0.500 CA 1.134 19 residues pruned to eliminate duplicates Z: 14 6.426 1.599 0.506 0.680 0.769 0.615 CB 0.815 13 residues pruned to eliminate duplicates 7 1.922 1.376 0.161 0.262 0.833 0.333 CB 0.773 ? Z: 14 15.435 1.840 0.738 0.561 1.000 0.615 CA 1.261 14 residues pruned to eliminate duplicates Z: 7 3.303 1.307 0.218 0.873 0.833 0.833 CB 0.741 Z: 14 9.542 1.500 0.631 0.798 0.923 0.538 CB 0.903 14 residues pruned to eliminate duplicates Z: 12 9.749 1.734 0.738 0.598 0.818 0.636 CB 1.086 12 residues pruned to eliminate duplicates Z: 13 13.358 1.756 0.719 0.749 0.917 0.500 CB 1.116 13 residues pruned to eliminate duplicates Z: 7 2.778 1.252 0.657 0.264 0.833 0.833 CA 0.858 Z: 7 8.889 1.686 0.661 0.784 1.000 0.833 CA 1.009 7 residues pruned to eliminate duplicates Z: 29 13.726 1.666 0.466 0.439 0.964 0.393 CA 1.173 29 residues pruned to eliminate duplicates Z: 8 2.551 1.468 -0.080 0.379 1.000 0.714 CB 0.812 8 residues pruned to eliminate duplicates Z: 6 2.786 1.453 1.162 0.855 1.000 0.800 CB 0.293 Z: 25 8.677 1.627 0.396 0.462 0.792 0.458 CB 1.024 25 residues pruned to eliminate duplicates Z: 6 5.584 1.358 0.490 0.860 1.000 1.000 CB 0.907 Z: 9 7.231 1.519 0.632 0.703 0.750 0.375 N 1.143 9 residues pruned to eliminate duplicates Z: 9 4.308 1.614 -0.164 0.761 0.875 0.750 CB 1.023 9 residues pruned to eliminate duplicates Z: 13 9.194 1.602 0.636 0.481 0.833 0.583 CB 1.238 Z: 11 6.196 1.451 0.588 0.509 0.900 0.700 CB 0.936 6 residues pruned to eliminate duplicates Z: 6 3.383 1.533 -0.176 0.644 1.000 0.800 C 1.047 Z: 10 5.830 1.504 0.774 0.456 0.667 0.556 N 1.143 10 residues pruned to eliminate duplicates Z: 6 4.754 1.519 0.284 0.692 1.000 0.800 CA 0.914 6 residues pruned to eliminate duplicates Z: 7 2.591 1.579 0.160 0.252 0.667 0.333 CA 1.152 7 residues pruned to eliminate duplicates Z: 13 6.084 1.199 0.645 0.691 0.917 0.500 CB 0.816 Z: 11 9.682 1.729 0.445 0.566 0.800 0.500 CB 1.438 11 residues pruned to eliminate duplicates Z: 30 17.467 1.700 0.438 0.599 0.931 0.690 CA 1.296 28 residues pruned to eliminate duplicates Z: 17 6.234 1.398 0.363 0.317 0.875 0.375 CB 1.144 8 residues pruned to eliminate duplicates Z: 11 4.210 1.322 0.409 0.315 0.900 0.600 CB 0.974 Z: 8 3.337 1.396 0.355 0.317 0.857 0.571 CB 0.952 Z: 6 2.275 1.835 0.264 0.281 0.600 0.600 CB 0.936 5 residues pruned to eliminate duplicates Z: 20 10.691 1.733 0.295 0.442 0.947 0.526 CA 1.225 19 residues pruned to eliminate duplicates Z: 9 3.940 1.503 0.058 0.505 1.000 0.625 N 0.871 Z: 11 8.098 1.620 0.593 0.465 0.800 0.600 N 1.285 11 residues pruned to eliminate duplicates Z: 11 12.967 1.672 0.311 0.782 1.000 0.600 CB 1.459 11 residues pruned to eliminate duplicates 7 1.681 1.404 0.747 0.314 0.667 0.500 CB 0.516 ? 7 1.989 1.414 -0.076 0.344 0.667 0.333 O 1.105 ? Z: 10 9.175 1.561 0.424 0.856 1.000 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 10 8.740 1.496 0.683 0.724 0.889 0.667 CA 1.063 Z: 6 3.804 1.427 0.342 0.655 1.000 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 33 15.081 1.790 0.443 0.546 0.938 0.656 CB 1.053 33 residues pruned to eliminate duplicates Z: 16 12.318 1.681 0.751 0.560 0.933 0.733 CB 1.092 17 residues pruned to eliminate duplicates Z: 19 12.142 1.647 0.684 0.542 0.944 0.722 CA 1.048 19 residues pruned to eliminate duplicates Z: 17 14.698 1.745 0.399 0.830 1.000 0.750 CB 1.132 17 residues pruned to eliminate duplicates Z: 6 4.644 1.769 0.416 0.546 0.800 0.800 CB 0.990 Z: 8 4.095 1.564 0.422 0.343 0.714 0.286 O 1.156 6 residues pruned to eliminate duplicates Z: 16 13.239 1.619 0.416 0.849 1.000 0.867 CA 1.105 16 residues pruned to eliminate duplicates Z: 9 5.407 1.611 -0.095 0.746 1.000 0.875 CB 1.052 9 residues pruned to eliminate duplicates Z: 15 14.548 1.840 0.363 0.842 1.000 0.714 CA 1.156 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 2.887 1.445 0.214 0.245 0.875 0.250 CA 0.893 Z: 7 2.248 1.460 0.531 0.144 0.833 0.167 N 0.765 Z: 7 3.276 1.448 0.383 0.288 0.833 0.500 N 1.017 5 residues pruned to eliminate duplicates Z: 6 6.674 1.589 0.958 0.402 1.000 1.000 CA 1.063 6 residues pruned to eliminate duplicates 6 1.801 1.285 0.839 0.168 0.600 0.600 N 0.851 ? Z: 6 2.916 1.303 0.675 0.340 0.800 0.400 CA 0.889 Z: 6 4.948 1.416 1.042 0.335 1.000 0.800 CA 0.917 13 residues pruned to eliminate duplicates Z: 6 2.371 1.473 0.424 0.343 0.800 0.000 CA 0.750 6 residues pruned to eliminate duplicates Z: 19 19.850 1.878 0.854 0.500 0.944 0.833 CA 1.424 30 residues pruned to eliminate duplicates Z: 6 2.397 1.369 0.119 0.227 1.000 0.800 CA 0.963 6 residues pruned to eliminate duplicates Z: 21 16.684 1.796 0.689 0.469 0.950 0.500 CB 1.337 21 residues pruned to eliminate duplicates Z: 17 11.830 1.739 0.632 0.442 0.875 0.688 CB 1.264 17 residues pruned to eliminate duplicates Z: 26 15.267 1.726 0.817 0.386 0.800 0.640 CB 1.374 26 residues pruned to eliminate duplicates Z: 28 16.569 1.665 0.731 0.474 0.889 0.444 CB 1.278 22 residues pruned to eliminate duplicates Z: 6 3.221 1.513 0.741 0.415 1.000 0.400 CA 0.598 6 residues pruned to eliminate duplicates Z: 36 18.126 1.747 0.493 0.517 0.914 0.571 CB 1.263 31 residues pruned to eliminate duplicates 6 1.602 1.277 0.182 0.287 0.800 0.400 CA 0.754 ? Z: 6 2.692 1.283 1.001 0.440 1.000 0.800 CA 0.499 6 residues pruned to eliminate duplicates Z: 12 12.341 1.784 0.669 0.699 0.909 0.909 CB 1.147 12 residues pruned to eliminate duplicates Z: 13 12.048 1.800 0.489 0.643 0.917 0.833 CB 1.238 13 residues pruned to eliminate duplicates Z: 73 31.118 1.766 0.679 0.602 0.917 0.597 CB 1.225 85 residues pruned to eliminate duplicates Z: 14 12.148 1.528 0.682 0.689 0.923 0.462 CA 1.195 14 residues pruned to eliminate duplicates Z: 11 5.853 1.588 0.761 0.368 0.800 0.400 CB 0.953 11 residues pruned to eliminate duplicates Z: 16 12.428 1.789 0.762 0.677 0.933 0.533 CB 0.926 18 residues pruned to eliminate duplicates Z: 12 10.001 1.717 0.460 0.746 0.818 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 19 16.130 1.784 0.788 0.633 0.889 0.556 CB 1.183 16 residues pruned to eliminate duplicates Z: 20 15.340 1.818 0.560 0.716 0.947 0.632 CB 1.078 20 residues pruned to eliminate duplicates Z: 28 13.991 1.710 0.682 0.446 0.852 0.481 CB 1.161 19 residues pruned to eliminate duplicates Z: 8 2.247 1.495 0.568 0.505 0.571 0.143 CB 0.631 8 residues pruned to eliminate duplicates Z: 23 12.561 1.751 0.622 0.487 0.818 0.545 CB 1.167 23 residues pruned to eliminate duplicates Z: 16 14.983 1.875 0.794 0.640 0.933 0.467 CB 1.081 16 residues pruned to eliminate duplicates Z: 17 11.222 1.821 0.644 0.631 0.875 0.500 CB 0.947 17 residues pruned to eliminate duplicates Z: 11 10.754 1.841 0.780 0.719 0.900 0.700 CB 0.946 11 residues pruned to eliminate duplicates Z: 16 11.572 1.829 0.629 0.642 0.867 0.467 CB 1.013 16 residues pruned to eliminate duplicates Z: 11 6.381 1.708 0.564 0.442 0.700 0.500 CB 1.146 11 residues pruned to eliminate duplicates Z: 11 5.281 1.598 0.535 0.519 0.800 0.500 CB 0.835 11 residues pruned to eliminate duplicates Z: 49 20.628 1.808 0.628 0.469 0.875 0.604 CB 1.193 57 residues pruned to eliminate duplicates 9 1.766 1.270 0.763 0.154 0.500 0.000 CA 0.853 ? Z: 6 5.458 1.395 0.990 0.424 1.000 0.600 CA 0.951 6 residues pruned to eliminate duplicates Z: 11 5.758 1.732 0.838 0.230 0.800 0.300 CA 0.980 11 residues pruned to eliminate duplicates Z: 27 19.950 1.807 0.978 0.487 0.923 0.615 CA 1.201 27 residues pruned to eliminate duplicates Z: 7 7.949 1.776 1.042 0.368 1.000 0.500 CA 1.031 7 residues pruned to eliminate duplicates Z: 28 15.052 1.766 0.701 0.422 0.889 0.704 CA 1.176 28 residues pruned to eliminate duplicates Z: 15 14.063 1.854 0.658 0.528 0.929 0.714 CA 1.281 15 residues pruned to eliminate duplicates Z: 21 15.212 1.829 0.487 0.509 0.950 0.750 CA 1.304 21 residues pruned to eliminate duplicates Z: 18 16.802 1.839 0.738 0.528 1.000 0.529 CA 1.240 18 residues pruned to eliminate duplicates Z: 18 14.546 1.818 0.551 0.539 0.941 0.588 CA 1.280 18 residues pruned to eliminate duplicates Z: 17 13.829 1.830 0.668 0.575 0.812 0.750 CA 1.297 17 residues pruned to eliminate duplicates Z: 16 14.838 1.804 0.704 0.566 0.933 0.800 CA 1.253 16 residues pruned to eliminate duplicates Z: 22 14.224 1.737 0.593 0.499 0.952 0.619 CA 1.179 22 residues pruned to eliminate duplicates Z: 22 13.658 1.785 0.671 0.499 0.857 0.619 CA 1.167 22 residues pruned to eliminate duplicates Z: 20 16.798 1.829 0.716 0.539 0.895 0.632 CA 1.321 20 residues pruned to eliminate duplicates Z: 16 16.186 1.870 0.717 0.570 0.933 0.800 CA 1.304 16 residues pruned to eliminate duplicates Z: 16 12.862 1.855 0.727 0.499 0.867 0.667 CA 1.197 16 residues pruned to eliminate duplicates Z: 32 15.572 1.746 0.728 0.390 0.871 0.548 CA 1.197 32 residues pruned to eliminate duplicates Z: 17 17.925 1.913 0.722 0.575 0.938 0.750 CA 1.350 17 residues pruned to eliminate duplicates Z: 20 15.656 1.807 0.719 0.522 1.000 0.579 CA 1.131 20 residues pruned to eliminate duplicates Z: 20 15.083 1.824 0.687 0.509 0.947 0.632 CA 1.176 20 residues pruned to eliminate duplicates Z: 17 15.569 1.878 0.798 0.565 0.875 0.625 CA 1.236 17 residues pruned to eliminate duplicates Z: 35 22.944 1.812 0.480 0.644 1.000 0.765 CA 1.283 35 residues pruned to eliminate duplicates Z: 42 19.934 1.736 0.532 0.533 0.976 0.732 CA 1.161 42 residues pruned to eliminate duplicates Z: 35 24.118 1.764 0.644 0.706 0.941 0.794 CA 1.256 35 residues pruned to eliminate duplicates Z: 22 17.946 1.807 0.578 0.706 0.905 0.810 CA 1.258 22 residues pruned to eliminate duplicates Z: 45 20.119 1.765 0.519 0.527 0.909 0.705 CB 1.212 45 residues pruned to eliminate duplicates Z: 48 22.093 1.706 0.634 0.510 0.936 0.638 CB 1.222 48 residues pruned to eliminate duplicates Z: 43 20.331 1.739 0.498 0.588 0.929 0.714 CB 1.192 43 residues pruned to eliminate duplicates Z: 25 20.715 1.824 0.548 0.702 0.958 0.833 CA 1.299 25 residues pruned to eliminate duplicates Z: 34 20.764 1.798 0.502 0.701 1.000 0.788 CA 1.114 34 residues pruned to eliminate duplicates Z: 33 23.906 1.808 0.633 0.693 0.969 0.656 CB 1.238 33 residues pruned to eliminate duplicates Z: 38 19.691 1.734 0.607 0.605 0.892 0.595 CB 1.179 38 residues pruned to eliminate duplicates Z: 33 23.493 1.789 0.783 0.653 0.938 0.750 CB 1.204 33 residues pruned to eliminate duplicates Z: 12 8.388 1.711 0.351 0.555 0.818 0.545 CB 1.267 12 residues pruned to eliminate duplicates Z: 10 7.832 1.667 0.820 0.582 0.778 0.667 N 1.023 10 residues pruned to eliminate duplicates Z: 10 9.799 1.630 0.933 0.585 0.778 0.444 CB 1.228 10 residues pruned to eliminate duplicates Z: 11 11.409 1.565 1.047 0.497 0.900 0.600 N 1.255 11 residues pruned to eliminate duplicates Z: 11 8.755 1.652 0.698 0.564 0.700 0.400 CB 1.324 11 residues pruned to eliminate duplicates Z: 16 10.849 1.693 0.514 0.655 0.867 0.667 CB 1.092 16 residues pruned to eliminate duplicates Z: 8 2.295 1.264 0.539 0.407 0.857 0.571 CB 0.574 8 residues pruned to eliminate duplicates Z: 14 8.064 1.647 0.577 0.459 0.846 0.769 CA 1.061 14 residues pruned to eliminate duplicates Z: 19 13.991 1.791 0.582 0.593 1.000 0.722 CA 1.065 19 residues pruned to eliminate duplicates Z: 18 15.941 1.785 0.706 0.603 0.941 0.471 CA 1.223 18 residues pruned to eliminate duplicates Z: 9 9.467 1.753 0.690 0.487 0.875 0.375 CB 1.308 9 residues pruned to eliminate duplicates Z: 36 20.805 1.775 0.628 0.546 0.971 0.657 CA 1.198 36 residues pruned to eliminate duplicates Z: 15 11.781 1.734 0.819 0.514 0.929 0.643 CA 1.060 15 residues pruned to eliminate duplicates Z: 13 8.119 1.640 0.701 0.341 0.833 0.583 CB 1.198 13 residues pruned to eliminate duplicates Z: 28 12.904 1.708 0.484 0.423 0.852 0.593 CA 1.246 28 residues pruned to eliminate duplicates Z: 21 13.205 1.781 0.626 0.555 0.900 0.650 CA 1.073 21 residues pruned to eliminate duplicates Z: 24 14.329 1.756 0.601 0.479 0.870 0.609 CA 1.248 24 residues pruned to eliminate duplicates Z: 37 20.567 1.758 0.554 0.559 0.972 0.694 CA 1.218 37 residues pruned to eliminate duplicates Z: 22 15.460 1.761 0.776 0.570 0.952 0.714 CA 1.059 22 residues pruned to eliminate duplicates Z: 19 12.864 1.753 0.608 0.588 1.000 0.722 CA 0.988 19 residues pruned to eliminate duplicates Z: 45 24.142 1.758 0.626 0.572 0.932 0.614 CA 1.274 49 residues pruned to eliminate duplicates Z: 9 8.682 1.760 0.507 0.834 0.875 0.625 CB 0.992 7 residues pruned to eliminate duplicates Z: 7 6.526 1.702 0.629 0.510 1.000 0.667 CB 0.952 7 residues pruned to eliminate duplicates Z: 13 5.935 1.682 0.449 0.228 0.833 0.417 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 11.661 1.751 0.440 0.647 1.000 1.000 CB 1.344 10 residues pruned to eliminate duplicates Z: 16 10.293 1.737 0.433 0.394 0.933 0.733 CB 1.280 16 residues pruned to eliminate duplicates Z: 19 9.209 1.718 0.493 0.362 0.833 0.722 CB 1.178 30 residues pruned to eliminate duplicates Z: 22 10.190 1.697 0.413 0.374 0.857 0.619 CB 1.239 22 residues pruned to eliminate duplicates Z: 23 9.558 1.695 0.402 0.301 0.864 0.591 CB 1.239 23 residues pruned to eliminate duplicates Z: 24 8.473 1.655 0.322 0.362 0.783 0.522 CB 1.196 24 residues pruned to eliminate duplicates Z: 15 10.657 1.761 0.523 0.416 0.857 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 15 6.107 1.692 0.371 0.395 0.786 0.643 CB 1.001 15 residues pruned to eliminate duplicates Z: 15 10.813 1.633 0.643 0.487 0.857 0.429 CB 1.273 15 residues pruned to eliminate duplicates Z: 21 10.755 1.680 0.471 0.403 0.950 0.700 CB 1.135 21 residues pruned to eliminate duplicates Z: 10 4.436 1.583 0.663 0.305 0.778 0.333 N 0.897 10 residues pruned to eliminate duplicates Z: 46 15.362 1.707 0.481 0.433 0.889 0.600 CB 1.092 46 residues pruned to eliminate duplicates Z: 45 15.198 1.726 0.426 0.427 0.909 0.659 CB 1.104 41 residues pruned to eliminate duplicates Z: 10 9.454 1.545 0.428 0.790 1.000 0.667 CA 1.108 10 residues pruned to eliminate duplicates Z: 26 11.863 1.685 0.352 0.519 0.960 0.640 CB 1.065 26 residues pruned to eliminate duplicates Z: 9 5.547 1.575 0.468 0.485 0.875 0.500 CA 0.985 9 residues pruned to eliminate duplicates Z: 32 14.500 1.703 0.593 0.480 0.903 0.677 CB 1.085 32 residues pruned to eliminate duplicates Z: 22 10.141 1.753 0.330 0.452 0.905 0.476 CA 1.102 22 residues pruned to eliminate duplicates Z: 17 8.295 1.694 0.408 0.389 0.938 0.562 CB 1.043 17 residues pruned to eliminate duplicates Z: 43 13.995 1.722 0.434 0.399 0.833 0.524 CB 1.168 44 residues pruned to eliminate duplicates Z: 17 10.399 1.599 0.440 0.733 1.000 0.750 CB 0.915 17 residues pruned to eliminate duplicates Z: 20 9.353 1.777 0.290 0.475 0.895 0.474 CB 1.072 20 residues pruned to eliminate duplicates Z: 17 9.346 1.772 0.287 0.576 0.938 0.688 CA 1.015 17 residues pruned to eliminate duplicates Z: 32 13.900 1.744 0.413 0.487 0.935 0.581 CB 1.097 32 residues pruned to eliminate duplicates Z: 28 10.354 1.678 0.246 0.534 0.889 0.593 CA 1.037 28 residues pruned to eliminate duplicates Z: 42 13.997 1.713 0.496 0.407 0.829 0.488 CB 1.134 42 residues pruned to eliminate duplicates Z: 18 11.727 1.796 0.325 0.639 1.000 0.706 CB 1.049 18 residues pruned to eliminate duplicates Z: 17 11.630 1.758 0.303 0.572 1.000 0.750 CB 1.184 17 residues pruned to eliminate duplicates Z: 33 14.755 1.791 0.372 0.507 0.844 0.531 CB 1.250 33 residues pruned to eliminate duplicates Z: 26 9.978 1.692 0.375 0.427 0.840 0.360 CB 1.102 26 residues pruned to eliminate duplicates Z: 22 9.559 1.726 0.264 0.482 0.952 0.667 CB 1.023 22 residues pruned to eliminate duplicates Z: 23 14.144 1.765 0.528 0.544 0.955 0.727 CA 1.122 23 residues pruned to eliminate duplicates Z: 24 9.416 1.677 0.305 0.493 0.913 0.609 CA 0.990 24 residues pruned to eliminate duplicates Z: 21 5.441 1.504 0.444 0.282 0.700 0.300 CB 1.024 21 residues pruned to eliminate duplicates Z: 16 9.575 1.722 0.541 0.501 0.867 0.667 CB 1.074 16 residues pruned to eliminate duplicates Z: 40 15.287 1.761 0.376 0.519 0.897 0.641 CB 1.105 40 residues pruned to eliminate duplicates Z: 22 11.866 1.804 0.367 0.493 1.000 0.667 CB 1.057 22 residues pruned to eliminate duplicates Z: 16 11.940 1.709 0.799 0.500 0.867 0.600 CB 1.157 16 residues pruned to eliminate duplicates Z: 14 8.506 1.778 0.645 0.475 0.692 0.538 CB 1.195 14 residues pruned to eliminate duplicates Z: 11 11.578 1.788 0.861 0.531 0.900 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 15 11.671 1.665 0.723 0.532 0.857 0.714 CB 1.229 15 residues pruned to eliminate duplicates Z: 9 11.176 1.886 0.851 0.585 0.875 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 12 13.482 1.873 0.661 0.697 0.909 0.636 CB 1.201 12 residues pruned to eliminate duplicates Z: 16 7.827 1.677 0.512 0.419 0.733 0.600 CB 1.183 16 residues pruned to eliminate duplicates Z: 13 12.198 1.859 0.798 0.535 0.750 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 20 10.409 1.711 0.591 0.396 0.737 0.526 CA 1.329 20 residues pruned to eliminate duplicates Z: 9 7.189 1.789 0.891 0.450 0.750 0.375 CB 1.054 9 residues pruned to eliminate duplicates Z: 18 12.535 1.782 0.699 0.543 0.882 0.706 CB 1.091 18 residues pruned to eliminate duplicates Z: 15 17.584 1.812 0.764 0.706 0.929 0.786 CB 1.312 15 residues pruned to eliminate duplicates Z: 21 13.754 1.688 0.615 0.511 0.900 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 17 13.831 1.760 0.652 0.599 0.938 0.625 CB 1.154 17 residues pruned to eliminate duplicates Z: 27 21.158 1.767 0.781 0.703 0.923 0.808 CB 1.187 31 residues pruned to eliminate duplicates Z: 12 16.070 1.680 0.804 0.914 1.000 0.909 CB 1.131 12 residues pruned to eliminate duplicates Z: 13 16.474 1.712 1.019 0.788 1.000 0.917 CA 1.069 13 residues pruned to eliminate duplicates Z: 14 15.260 1.696 0.890 0.703 0.923 0.846 CA 1.189 14 residues pruned to eliminate duplicates Z: 25 16.666 1.753 0.630 0.692 0.917 0.750 CB 1.090 17 residues pruned to eliminate duplicates Z: 14 14.327 1.649 0.792 0.840 0.923 0.846 CA 1.087 14 residues pruned to eliminate duplicates Z: 14 14.333 1.724 0.807 0.767 0.923 0.769 CA 1.091 14 residues pruned to eliminate duplicates Z: 26 20.038 1.788 0.792 0.732 0.880 0.720 CB 1.154 26 residues pruned to eliminate duplicates Z: 13 16.338 1.747 0.938 0.863 1.000 0.833 CA 1.022 13 residues pruned to eliminate duplicates Z: 28 15.253 1.676 0.784 0.583 0.926 0.593 CB 0.979 28 residues pruned to eliminate duplicates Z: 24 16.867 1.768 0.608 0.667 0.913 0.783 CB 1.161 24 residues pruned to eliminate duplicates Z: 17 14.097 1.652 0.848 0.669 1.000 0.750 CA 0.988 17 residues pruned to eliminate duplicates Z: 58 21.443 1.743 0.557 0.567 0.842 0.632 CB 1.165 58 residues pruned to eliminate duplicates Z: 18 10.710 1.571 0.665 0.580 0.824 0.647 CB 1.117 18 residues pruned to eliminate duplicates Z: 15 5.268 1.729 0.505 0.447 0.786 0.357 CB 0.727 15 residues pruned to eliminate duplicates Z: 31 14.831 1.798 0.713 0.436 0.900 0.567 CB 1.044 54 residues pruned to eliminate duplicates Z: 6 2.082 1.624 0.185 0.132 1.000 0.200 CB 0.766 Z: 7 2.770 1.278 0.504 0.284 0.833 0.500 CA 0.900 Z: 6 4.014 1.428 0.921 0.385 0.800 0.400 CB 0.925 Z: 7 2.493 1.284 1.125 0.465 1.000 0.500 CA 0.387 6 1.589 1.413 0.314 0.405 0.800 0.000 CB 0.529 ? Z: 6 2.555 1.164 0.571 0.292 1.000 0.600 CA 0.788 6 residues pruned to eliminate duplicates Z: 14 7.075 1.814 0.404 0.382 0.846 0.692 CA 1.033 14 residues pruned to eliminate duplicates Z: 15 12.447 1.838 0.836 0.433 0.929 0.714 CA 1.138 15 residues pruned to eliminate duplicates Z: 27 14.889 1.791 0.704 0.479 0.885 0.577 CB 1.105 27 residues pruned to eliminate duplicates Z: 21 11.316 1.772 0.542 0.473 0.950 0.800 CA 1.002 21 residues pruned to eliminate duplicates Z: 23 14.012 1.781 0.749 0.434 0.955 0.682 CA 1.076 23 residues pruned to eliminate duplicates Z: 25 15.406 1.754 0.783 0.509 0.958 0.750 CA 1.039 25 residues pruned to eliminate duplicates Z: 30 14.941 1.720 0.552 0.525 0.931 0.655 CA 1.089 30 residues pruned to eliminate duplicates Z: 13 6.273 1.504 0.576 0.329 0.917 0.333 CB 1.006 13 residues pruned to eliminate duplicates Z: 27 12.178 1.748 0.495 0.451 0.923 0.577 CB 1.041 27 residues pruned to eliminate duplicates Z: 27 14.259 1.771 0.647 0.472 0.885 0.577 CB 1.115 27 residues pruned to eliminate duplicates Z: 10 5.541 1.558 0.316 0.461 0.889 0.222 CB 1.054 10 residues pruned to eliminate duplicates Z: 9 6.363 1.748 0.294 0.483 0.875 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 22 11.297 1.701 0.504 0.566 0.905 0.619 CA 0.999 22 residues pruned to eliminate duplicates Z: 15 10.395 1.719 0.406 0.584 0.929 0.357 CB 1.143 15 residues pruned to eliminate duplicates Z: 11 11.826 1.748 0.764 0.712 0.800 0.600 CA 1.251 11 residues pruned to eliminate duplicates Z: 37 19.820 1.760 0.588 0.586 0.944 0.639 CB 1.152 37 residues pruned to eliminate duplicates Z: 16 10.424 1.692 0.523 0.596 0.867 0.467 CB 1.100 16 residues pruned to eliminate duplicates Z: 13 7.891 1.561 0.791 0.392 0.917 0.333 CB 0.997 13 residues pruned to eliminate duplicates Z: 18 9.230 1.613 0.750 0.525 0.941 0.471 CB 0.822 18 residues pruned to eliminate duplicates Z: 17 16.999 1.705 0.863 0.575 1.000 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 41 19.864 1.732 0.560 0.555 0.950 0.625 CB 1.160 41 residues pruned to eliminate duplicates Z: 49 22.849 1.747 0.598 0.531 0.917 0.625 CB 1.250 49 residues pruned to eliminate duplicates Z: 32 18.138 1.690 0.673 0.656 0.935 0.613 CB 1.065 32 residues pruned to eliminate duplicates Z: 21 16.273 1.751 0.667 0.565 0.950 0.700 CA 1.233 21 residues pruned to eliminate duplicates Z: 30 11.671 1.643 0.485 0.441 0.897 0.586 CB 1.053 30 residues pruned to eliminate duplicates Z: 36 20.509 1.768 0.623 0.483 0.914 0.543 CB 1.345 36 residues pruned to eliminate duplicates Z: 33 20.494 1.800 0.564 0.536 0.906 0.500 CB 1.370 33 residues pruned to eliminate duplicates Z: 22 17.519 1.747 0.600 0.672 0.952 0.619 CB 1.226 22 residues pruned to eliminate duplicates Z: 23 15.849 1.734 0.799 0.626 0.955 0.591 CB 1.008 23 residues pruned to eliminate duplicates Z: 40 27.091 1.837 0.672 0.576 1.000 0.718 CB 1.312 40 residues pruned to eliminate duplicates Z: 11 6.229 1.438 0.620 0.728 0.800 0.500 CB 0.861 11 residues pruned to eliminate duplicates Z: 24 16.199 1.750 0.784 0.615 0.913 0.696 CB 1.063 24 residues pruned to eliminate duplicates Z: 24 13.513 1.696 0.636 0.612 0.870 0.609 CB 1.050 24 residues pruned to eliminate duplicates Z: 28 14.770 1.721 0.594 0.567 0.926 0.593 CB 1.049 28 residues pruned to eliminate duplicates Z: 23 15.178 1.712 0.539 0.595 0.909 0.545 CB 1.234 23 residues pruned to eliminate duplicates Z: 40 21.606 1.763 0.624 0.569 0.949 0.564 CB 1.191 40 residues pruned to eliminate duplicates Z: 45 21.696 1.796 0.563 0.516 0.932 0.591 CB 1.230 45 residues pruned to eliminate duplicates Z: 39 18.688 1.780 0.714 0.458 0.868 0.474 CB 1.195 39 residues pruned to eliminate duplicates Z: 44 27.417 1.846 0.551 0.654 0.953 0.651 CB 1.327 44 residues pruned to eliminate duplicates Z: 50 24.018 1.797 0.619 0.503 0.959 0.633 CB 1.225 50 residues pruned to eliminate duplicates Z: 34 20.831 1.812 0.538 0.569 0.939 0.606 CB 1.295 34 residues pruned to eliminate duplicates Z: 51 25.297 1.781 0.685 0.587 0.940 0.680 CB 1.167 51 residues pruned to eliminate duplicates Z: 49 22.349 1.750 0.586 0.536 0.917 0.562 CB 1.223 49 residues pruned to eliminate duplicates Z: 53 24.180 1.770 0.613 0.552 0.904 0.596 CB 1.236 53 residues pruned to eliminate duplicates Z: 50 23.805 1.765 0.687 0.552 0.918 0.490 CB 1.182 50 residues pruned to eliminate duplicates Z: 40 21.667 1.791 0.634 0.532 0.923 0.513 CB 1.244 40 residues pruned to eliminate duplicates Z: 39 24.767 1.840 0.613 0.561 0.974 0.500 CB 1.310 39 residues pruned to eliminate duplicates Z: 40 20.424 1.829 0.538 0.505 0.949 0.590 CB 1.219 40 residues pruned to eliminate duplicates Z: 39 27.006 1.836 0.705 0.581 0.974 0.737 CB 1.330 39 residues pruned to eliminate duplicates Z: 50 22.086 1.757 0.542 0.534 0.939 0.571 CB 1.200 50 residues pruned to eliminate duplicates Z: 45 26.199 1.804 0.666 0.586 0.955 0.659 CB 1.267 45 residues pruned to eliminate duplicates Z: 6 6.627 1.643 0.724 0.346 1.000 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 42 24.676 1.783 0.620 0.588 0.951 0.659 CB 1.289 42 residues pruned to eliminate duplicates Z: 43 22.515 1.815 0.566 0.564 0.905 0.738 CB 1.270 43 residues pruned to eliminate duplicates Z: 17 11.036 1.627 0.823 0.473 0.812 0.625 N 1.176 17 residues pruned to eliminate duplicates Z: 18 11.389 1.661 0.795 0.427 0.941 0.647 N 1.062 19 residues pruned to eliminate duplicates Z: 6 3.153 1.343 0.559 0.435 1.000 0.800 CA 0.720 Z: 9 6.370 1.670 0.760 0.528 0.750 0.375 CA 0.993 Z: 8 10.142 1.733 0.542 0.683 1.000 0.571 CA 1.213 8 residues pruned to eliminate duplicates Z: 12 8.999 1.637 0.411 0.735 0.909 0.545 CB 1.046 9 residues pruned to eliminate duplicates Z: 11 12.257 1.671 0.663 0.784 1.000 0.700 CB 1.086 12 residues pruned to eliminate duplicates Z: 10 9.860 1.677 0.717 0.853 0.889 0.667 CB 0.949 10 residues pruned to eliminate duplicates Z: 15 11.727 1.739 0.624 0.659 0.929 0.571 CB 1.032 11 residues pruned to eliminate duplicates Z: 13 10.515 1.707 0.689 0.680 0.917 0.750 CA 0.973 13 residues pruned to eliminate duplicates Z: 15 7.478 1.613 0.558 0.617 0.714 0.429 CA 0.997 15 residues pruned to eliminate duplicates Z: 9 6.918 1.676 0.733 0.652 0.875 0.625 CB 0.835 9 residues pruned to eliminate duplicates Z: 11 11.266 1.703 0.359 0.627 1.000 0.600 N 1.365 11 residues pruned to eliminate duplicates Z: 12 11.055 1.670 0.562 0.728 1.000 0.636 CB 1.041 12 residues pruned to eliminate duplicates Z: 10 9.384 1.752 0.198 0.715 1.000 0.778 N 1.228 10 residues pruned to eliminate duplicates Z: 17 10.542 1.640 0.765 0.712 0.875 0.625 CB 0.859 25 residues pruned to eliminate duplicates Z: 19 13.097 1.543 0.543 0.795 0.944 0.556 CB 1.060 19 residues pruned to eliminate duplicates Z: 22 9.485 1.540 0.423 0.607 0.952 0.619 CB 0.896 22 residues pruned to eliminate duplicates Z: 16 13.814 1.674 0.698 0.770 0.933 0.467 CB 1.059 16 residues pruned to eliminate duplicates Z: 13 14.099 1.746 0.646 0.744 0.917 0.500 CB 1.242 15 residues pruned to eliminate duplicates Z: 22 15.740 1.621 0.494 0.845 0.952 0.524 CB 1.107 20 residues pruned to eliminate duplicates 6 1.536 1.456 -0.084 0.100 0.800 0.400 CB 1.073 ? Z: 7 3.382 1.379 0.522 0.362 1.000 0.333 CA 0.763 7 residues pruned to eliminate duplicates Z: 22 13.737 1.645 0.729 0.586 0.905 0.619 CB 1.072 20 residues pruned to eliminate duplicates Z: 15 12.055 1.674 0.464 0.802 1.000 0.786 CB 1.010 15 residues pruned to eliminate duplicates Z: 30 21.267 1.773 0.618 0.647 1.000 0.828 CB 1.200 32 residues pruned to eliminate duplicates Z: 8 9.467 1.705 0.462 0.867 1.000 0.857 CB 1.050 8 residues pruned to eliminate duplicates Z: 20 11.688 1.670 0.405 0.656 0.947 0.684 CB 1.044 20 residues pruned to eliminate duplicates Z: 21 13.275 1.633 0.742 0.490 0.950 0.450 CB 1.109 21 residues pruned to eliminate duplicates Z: 21 17.898 1.762 0.780 0.695 0.900 0.850 CB 1.187 21 residues pruned to eliminate duplicates Z: 21 15.246 1.740 0.701 0.645 0.900 0.700 CB 1.118 21 residues pruned to eliminate duplicates Z: 34 17.405 1.728 0.595 0.594 0.848 0.545 CB 1.185 34 residues pruned to eliminate duplicates Z: 28 19.282 1.779 0.529 0.660 0.963 0.852 CB 1.221 28 residues pruned to eliminate duplicates Z: 21 18.357 1.680 0.770 0.705 0.950 0.400 N 1.206 21 residues pruned to eliminate duplicates Z: 31 19.749 1.750 0.613 0.635 1.000 0.800 CB 1.125 31 residues pruned to eliminate duplicates Z: 36 17.419 1.714 0.631 0.542 0.943 0.686 CB 1.072 36 residues pruned to eliminate duplicates Z: 21 13.518 1.665 0.542 0.619 0.950 0.600 CB 1.108 21 residues pruned to eliminate duplicates Z: 36 21.783 1.738 0.573 0.648 0.943 0.743 CB 1.245 36 residues pruned to eliminate duplicates Z: 19 13.723 1.679 0.666 0.635 0.889 0.556 CB 1.146 19 residues pruned to eliminate duplicates Z: 23 14.098 1.682 0.624 0.683 0.864 0.636 CB 1.076 23 residues pruned to eliminate duplicates Z: 34 22.262 1.739 0.670 0.645 0.939 0.788 CB 1.241 34 residues pruned to eliminate duplicates Z: 24 16.812 1.697 0.622 0.633 0.913 0.565 CB 1.231 24 residues pruned to eliminate duplicates Z: 34 20.958 1.733 0.683 0.632 0.939 0.667 CB 1.176 34 residues pruned to eliminate duplicates Z: 9 6.960 1.589 0.494 0.637 0.750 0.375 N 1.215 9 residues pruned to eliminate duplicates Z: 37 23.503 1.685 0.660 0.668 0.972 0.528 CB 1.233 37 residues pruned to eliminate duplicates Z: 9 5.752 1.538 0.751 0.489 0.750 0.250 N 1.018 9 residues pruned to eliminate duplicates Z: 37 18.603 1.712 0.534 0.595 0.917 0.694 CB 1.176 37 residues pruned to eliminate duplicates Z: 34 15.173 1.678 0.539 0.468 0.848 0.515 CA 1.245 29 residues pruned to eliminate duplicates Z: 15 10.781 1.457 0.553 0.674 1.000 0.500 CB 1.084 15 residues pruned to eliminate duplicates Z: 44 20.405 1.748 0.590 0.523 0.907 0.488 CB 1.207 44 residues pruned to eliminate duplicates Z: 48 22.802 1.769 0.644 0.554 0.936 0.574 CB 1.159 48 residues pruned to eliminate duplicates Z: 40 26.608 1.798 0.649 0.656 0.923 0.692 N 1.346 40 residues pruned to eliminate duplicates Z: 23 13.424 1.805 0.609 0.463 0.909 0.636 CA 1.126 23 residues pruned to eliminate duplicates Z: 35 16.693 1.707 0.543 0.482 0.882 0.471 CB 1.255 35 residues pruned to eliminate duplicates Z: 6 2.605 1.479 0.658 0.314 0.600 0.400 CA 0.973 6 residues pruned to eliminate duplicates Z: 57 27.763 1.765 0.638 0.606 0.911 0.643 CB 1.274 57 residues pruned to eliminate duplicates Z: 40 21.561 1.722 0.533 0.614 0.923 0.462 CB 1.272 40 residues pruned to eliminate duplicates Z: 53 26.953 1.801 0.637 0.623 0.865 0.635 CB 1.305 53 residues pruned to eliminate duplicates Z: 29 16.157 1.789 0.564 0.456 0.929 0.429 CA 1.229 29 residues pruned to eliminate duplicates Z: 54 27.502 1.775 0.660 0.574 0.962 0.679 CB 1.241 54 residues pruned to eliminate duplicates Z: 28 17.533 1.775 0.572 0.509 0.963 0.481 CA 1.244 28 residues pruned to eliminate duplicates Z: 48 26.035 1.763 0.584 0.606 0.957 0.532 CB 1.284 48 residues pruned to eliminate duplicates Z: 34 16.210 1.741 0.560 0.471 0.879 0.515 CB 1.218 34 residues pruned to eliminate duplicates Z: 48 27.918 1.764 0.593 0.632 0.957 0.681 CB 1.337 48 residues pruned to eliminate duplicates Z: 56 28.548 1.757 0.610 0.596 0.964 0.636 CB 1.288 56 residues pruned to eliminate duplicates Z: 27 18.836 1.765 0.610 0.556 1.000 0.615 CA 1.231 27 residues pruned to eliminate duplicates Z: 41 17.478 1.737 0.459 0.516 0.875 0.600 CA 1.227 41 residues pruned to eliminate duplicates Z: 48 26.110 1.755 0.588 0.615 0.957 0.638 CA 1.280 48 residues pruned to eliminate duplicates Z: 30 17.025 1.747 0.592 0.524 0.966 0.448 CA 1.150 30 residues pruned to eliminate duplicates Z: 49 22.519 1.790 0.557 0.535 0.896 0.625 CA 1.257 55 residues pruned to eliminate duplicates Z: 13 16.187 1.711 0.578 0.768 1.000 0.667 CA 1.365 13 residues pruned to eliminate duplicates Z: 26 17.389 1.757 0.609 0.583 0.840 0.600 CB 1.353 26 residues pruned to eliminate duplicates Z: 16 10.440 1.759 0.668 0.429 0.800 0.333 CB 1.237 16 residues pruned to eliminate duplicates Z: 14 16.651 1.792 0.709 0.669 1.000 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 10.806 1.875 0.506 0.617 0.917 0.583 CB 1.079 13 residues pruned to eliminate duplicates Z: 27 20.512 1.794 0.729 0.677 0.923 0.692 CB 1.194 27 residues pruned to eliminate duplicates Z: 18 13.579 1.790 0.678 0.624 0.941 0.529 CB 1.037 18 residues pruned to eliminate duplicates Z: 27 16.631 1.739 0.573 0.565 0.923 0.692 CB 1.213 27 residues pruned to eliminate duplicates Z: 10 11.939 1.824 0.387 0.796 0.889 0.556 CA 1.365 10 residues pruned to eliminate duplicates Z: 24 15.521 1.666 0.494 0.687 0.913 0.609 CB 1.200 24 residues pruned to eliminate duplicates Z: 8 8.189 1.683 0.246 0.751 0.857 0.143 CB 1.377 8 residues pruned to eliminate duplicates Z: 13 7.801 1.475 0.574 0.595 0.833 0.500 N 1.063 13 residues pruned to eliminate duplicates Z: 18 17.487 1.769 0.614 0.694 0.941 0.588 CB 1.322 18 residues pruned to eliminate duplicates Z: 31 16.231 1.782 0.433 0.639 0.867 0.567 CB 1.175 31 residues pruned to eliminate duplicates Z: 11 7.957 1.577 0.497 0.662 0.900 0.400 CB 1.020 11 residues pruned to eliminate duplicates Z: 9 8.492 1.768 0.393 0.670 0.875 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 10 9.167 1.713 0.573 0.571 1.000 0.556 CA 1.058 10 residues pruned to eliminate duplicates Z: 10 5.758 1.451 0.336 0.596 0.889 0.556 N 1.016 10 residues pruned to eliminate duplicates Z: 8 5.722 1.603 0.541 0.565 0.857 0.714 CB 0.959 8 residues pruned to eliminate duplicates Z: 9 7.655 1.633 0.918 0.545 0.875 0.750 CB 0.945 9 residues pruned to eliminate duplicates Z: 9 10.250 1.593 0.589 0.660 1.000 0.625 N 1.234 9 residues pruned to eliminate duplicates Z: 10 8.225 1.403 0.770 0.647 1.000 0.889 CB 0.963 10 residues pruned to eliminate duplicates Z: 14 10.691 1.635 0.669 0.673 0.923 0.692 CB 1.004 14 residues pruned to eliminate duplicates Z: 34 18.572 1.644 0.629 0.556 0.879 0.606 CA 1.301 35 residues pruned to eliminate duplicates Z: 13 16.260 1.753 0.546 0.784 1.000 0.667 CA 1.349 13 residues pruned to eliminate duplicates Z: 22 14.676 1.718 0.680 0.575 0.905 0.619 CB 1.141 22 residues pruned to eliminate duplicates Z: 14 12.383 1.807 0.687 0.622 0.769 0.538 CB 1.305 14 residues pruned to eliminate duplicates Z: 10 17.422 2.015 0.638 0.869 0.889 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 13 13.748 1.773 0.662 0.706 0.917 0.500 CB 1.218 13 residues pruned to eliminate duplicates Z: 30 16.015 1.695 0.780 0.546 0.862 0.517 CB 1.093 30 residues pruned to eliminate duplicates Z: 14 15.381 1.778 0.604 0.685 0.923 0.385 CB 1.367 14 residues pruned to eliminate duplicates Z: 26 19.610 1.715 0.840 0.669 0.920 0.560 CB 1.156 26 residues pruned to eliminate duplicates Z: 12 14.863 1.853 0.659 0.723 0.818 0.455 CB 1.458 12 residues pruned to eliminate duplicates Z: 14 13.789 1.596 0.873 0.692 1.000 0.538 N 1.073 14 residues pruned to eliminate duplicates Z: 19 17.165 1.766 0.669 0.682 0.944 0.556 CB 1.230 19 residues pruned to eliminate duplicates Z: 25 11.467 1.705 0.510 0.611 0.833 0.500 CB 0.982 25 residues pruned to eliminate duplicates Z: 6 8.465 1.812 0.407 0.728 1.000 0.400 CA 1.209 6 residues pruned to eliminate duplicates Z: 13 7.075 1.522 0.614 0.392 0.833 0.417 CA 1.119 10 residues pruned to eliminate duplicates Z: 10 11.024 1.552 0.573 0.801 1.000 0.556 CB 1.158 11 residues pruned to eliminate duplicates Z: 13 10.607 1.448 0.634 0.794 0.917 0.667 CB 1.091 13 residues pruned to eliminate duplicates Z: 15 9.428 1.501 0.685 0.694 0.786 0.500 CA 1.062 15 residues pruned to eliminate duplicates Z: 12 10.768 1.732 0.586 0.573 1.000 0.364 CB 1.102 10 residues pruned to eliminate duplicates Z: 10 6.916 1.469 0.625 0.669 0.889 0.333 CB 0.930 10 residues pruned to eliminate duplicates Z: 10 8.944 1.610 0.446 0.710 1.000 0.333 CB 1.059 10 residues pruned to eliminate duplicates Z: 11 5.001 1.527 0.596 0.490 0.700 0.500 CB 0.937 11 residues pruned to eliminate duplicates Z: 9 7.027 1.636 0.648 0.462 0.875 0.500 CB 1.095 9 residues pruned to eliminate duplicates Z: 18 7.448 1.705 0.292 0.470 0.824 0.412 CB 1.027 24 residues pruned to eliminate duplicates Z: 9 5.854 1.652 0.295 0.482 1.000 0.625 CB 0.985 9 residues pruned to eliminate duplicates Z: 20 10.489 1.676 0.611 0.460 0.842 0.474 CB 1.102 24 residues pruned to eliminate duplicates Z: 6 2.889 1.276 0.883 0.279 0.800 0.000 N 0.862 Z: 6 3.256 1.380 0.314 0.431 0.800 0.600 C 1.079 6 residues pruned to eliminate duplicates Z: 25 11.691 1.737 0.447 0.441 0.958 0.833 CB 1.053 25 residues pruned to eliminate duplicates Z: 30 14.007 1.683 0.428 0.466 0.931 0.621 CB 1.203 30 residues pruned to eliminate duplicates Z: 24 15.273 1.782 0.696 0.461 0.913 0.696 CB 1.200 30 residues pruned to eliminate duplicates Z: 29 16.052 1.689 0.648 0.565 0.929 0.714 CB 1.102 29 residues pruned to eliminate duplicates Z: 19 8.658 1.489 0.306 0.453 0.889 0.611 CA 1.239 19 residues pruned to eliminate duplicates Z: 48 19.355 1.626 0.449 0.535 0.957 0.511 CB 1.209 39 residues pruned to eliminate duplicates Z: 10 7.616 1.602 0.281 0.877 0.889 0.889 CB 1.011 11 residues pruned to eliminate duplicates Z: 11 7.676 1.561 0.212 0.888 1.000 0.900 CB 0.925 11 residues pruned to eliminate duplicates Z: 21 8.056 1.533 0.435 0.329 0.900 0.500 CB 1.097 21 residues pruned to eliminate duplicates Z: 12 7.671 1.611 0.284 0.596 0.818 0.727 CA 1.246 12 residues pruned to eliminate duplicates Z: 18 8.789 1.565 0.214 0.494 0.941 0.824 CA 1.198 18 residues pruned to eliminate duplicates Z: 20 9.717 1.548 0.336 0.529 0.895 0.737 CB 1.171 20 residues pruned to eliminate duplicates Z: 6 2.690 1.619 0.023 0.402 0.800 0.600 CB 1.006 6 residues pruned to eliminate duplicates Z: 12 5.505 1.538 0.320 0.442 0.909 0.818 CB 0.954 12 residues pruned to eliminate duplicates Z: 14 8.225 1.631 0.387 0.555 1.000 0.615 CB 0.956 14 residues pruned to eliminate duplicates Z: 39 15.841 1.662 0.502 0.559 0.868 0.500 CB 1.119 39 residues pruned to eliminate duplicates Z: 43 20.592 1.667 0.527 0.535 0.952 0.619 CB 1.266 43 residues pruned to eliminate duplicates Z: 24 14.311 1.515 0.570 0.769 1.000 0.565 CB 0.989 22 residues pruned to eliminate duplicates Z: 16 9.684 1.561 0.477 0.690 0.933 0.533 CB 0.977 16 residues pruned to eliminate duplicates Z: 25 13.853 1.596 0.447 0.613 0.833 0.500 CA 1.320 25 residues pruned to eliminate duplicates Z: 28 18.643 1.718 0.506 0.544 1.000 0.667 CA 1.327 28 residues pruned to eliminate duplicates Z: 18 10.808 1.683 0.492 0.469 0.882 0.529 N 1.221 18 residues pruned to eliminate duplicates Z: 31 16.265 1.686 0.484 0.442 0.933 0.533 CA 1.350 31 residues pruned to eliminate duplicates Z: 44 19.465 1.659 0.448 0.588 0.930 0.628 CB 1.220 44 residues pruned to eliminate duplicates Z: 28 17.030 1.747 0.513 0.510 0.926 0.519 CA 1.325 28 residues pruned to eliminate duplicates Z: 25 14.403 1.682 0.524 0.513 0.875 0.500 CA 1.294 25 residues pruned to eliminate duplicates Z: 25 14.732 1.719 0.498 0.460 0.917 0.583 N 1.326 25 residues pruned to eliminate duplicates Z: 25 15.925 1.762 0.500 0.535 0.917 0.708 CA 1.296 25 residues pruned to eliminate duplicates Z: 21 17.333 1.753 0.557 0.597 0.950 0.550 CB 1.362 21 residues pruned to eliminate duplicates Z: 53 20.846 1.613 0.459 0.565 0.923 0.577 CB 1.250 71 residues pruned to eliminate duplicates Z: 47 19.299 1.653 0.406 0.569 0.935 0.652 CB 1.225 47 residues pruned to eliminate duplicates Z: 30 17.036 1.727 0.518 0.505 0.862 0.586 CA 1.393 30 residues pruned to eliminate duplicates Z: 22 15.572 1.738 0.583 0.632 0.810 0.476 CA 1.347 22 residues pruned to eliminate duplicates Z: 19 14.205 1.716 0.748 0.497 0.944 0.667 CA 1.185 19 residues pruned to eliminate duplicates Z: 34 16.236 1.697 0.464 0.480 0.848 0.394 CB 1.368 34 residues pruned to eliminate duplicates Z: 36 15.665 1.638 0.550 0.428 0.857 0.629 N 1.311 36 residues pruned to eliminate duplicates Z: 16 15.258 1.831 0.617 0.575 1.000 0.667 CA 1.237 16 residues pruned to eliminate duplicates Z: 45 18.764 1.662 0.491 0.526 0.909 0.682 CA 1.224 45 residues pruned to eliminate duplicates Z: 29 16.781 1.689 0.532 0.514 0.964 0.536 CA 1.253 29 residues pruned to eliminate duplicates Z: 33 15.201 1.644 0.483 0.466 0.875 0.562 CA 1.304 33 residues pruned to eliminate duplicates Z: 33 17.323 1.659 0.559 0.481 0.906 0.656 CB 1.332 33 residues pruned to eliminate duplicates Z: 27 18.058 1.748 0.540 0.536 0.962 0.692 CA 1.321 27 residues pruned to eliminate duplicates Z: 25 14.546 1.705 0.529 0.436 0.958 0.542 CA 1.269 25 residues pruned to eliminate duplicates Z: 53 24.600 1.659 0.752 0.521 0.885 0.692 CA 1.299 53 residues pruned to eliminate duplicates Z: 34 19.869 1.754 0.625 0.577 0.939 0.848 CA 1.199 34 residues pruned to eliminate duplicates Z: 42 22.359 1.706 0.696 0.538 0.927 0.585 CA 1.255 42 residues pruned to eliminate duplicates Z: 43 19.851 1.685 0.712 0.505 0.857 0.500 CA 1.233 43 residues pruned to eliminate duplicates Z: 7 7.086 1.761 0.754 0.547 1.000 0.667 CA 0.894 7 residues pruned to eliminate duplicates Z: 40 23.950 1.746 0.657 0.560 0.949 0.795 CA 1.318 40 residues pruned to eliminate duplicates Z: 13 12.307 1.719 0.851 0.626 0.917 0.750 CB 1.082 13 residues pruned to eliminate duplicates Z: 11 7.133 1.523 0.063 0.786 1.000 0.700 CA 1.084 11 residues pruned to eliminate duplicates Z: 11 9.749 1.538 0.403 0.766 1.000 0.700 CA 1.128 11 residues pruned to eliminate duplicates Z: 11 8.754 1.563 0.398 0.754 0.900 0.600 CB 1.122 11 residues pruned to eliminate duplicates Z: 11 8.013 1.532 0.303 0.736 0.900 0.700 CB 1.141 11 residues pruned to eliminate duplicates Z: 9 8.245 1.653 0.523 0.683 1.000 0.375 CB 0.979 9 residues pruned to eliminate duplicates Z: 16 9.030 1.603 0.479 0.591 0.867 0.400 CB 1.040 16 residues pruned to eliminate duplicates Z: 14 10.542 1.674 0.390 0.606 1.000 0.385 CB 1.136 14 residues pruned to eliminate duplicates Z: 8 6.346 1.709 0.284 0.557 0.857 0.143 CB 1.207 8 residues pruned to eliminate duplicates Z: 16 10.266 1.664 0.555 0.624 0.867 0.733 CB 1.052 16 residues pruned to eliminate duplicates Z: 15 10.941 1.686 0.309 0.618 1.000 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 24 9.403 1.641 0.393 0.492 0.739 0.478 N 1.170 24 residues pruned to eliminate duplicates Z: 22 10.854 1.660 0.313 0.585 0.857 0.571 CB 1.167 22 residues pruned to eliminate duplicates Z: 18 11.012 1.727 0.444 0.586 0.882 0.706 CB 1.118 18 residues pruned to eliminate duplicates Z: 25 11.223 1.708 0.216 0.563 0.917 0.667 CB 1.133 25 residues pruned to eliminate duplicates Z: 23 11.572 1.657 0.393 0.483 0.818 0.364 CB 1.329 23 residues pruned to eliminate duplicates Z: 9 3.894 1.630 0.624 0.516 0.750 0.500 CB 0.682 9 residues pruned to eliminate duplicates Z: 31 13.870 1.727 0.435 0.455 0.867 0.600 CB 1.234 31 residues pruned to eliminate duplicates Z: 21 17.406 1.696 0.627 0.727 0.950 0.600 CB 1.210 21 residues pruned to eliminate duplicates Z: 27 11.652 1.750 0.288 0.454 0.885 0.462 CB 1.201 27 residues pruned to eliminate duplicates Z: 22 14.301 1.675 0.560 0.668 0.857 0.571 N 1.193 22 residues pruned to eliminate duplicates Z: 13 8.555 1.616 0.418 0.524 0.917 0.667 CB 1.148 13 residues pruned to eliminate duplicates Z: 9 4.237 1.652 0.305 0.466 0.625 0.250 N 1.150 9 residues pruned to eliminate duplicates Z: 24 9.168 1.772 0.265 0.409 0.826 0.391 CB 1.135 24 residues pruned to eliminate duplicates Z: 32 12.727 1.712 0.372 0.457 0.871 0.548 CB 1.167 32 residues pruned to eliminate duplicates Z: 23 9.393 1.847 0.208 0.346 0.909 0.500 CB 1.168 23 residues pruned to eliminate duplicates Z: 22 12.925 1.869 0.320 0.462 0.952 0.381 CB 1.249 22 residues pruned to eliminate duplicates Z: 25 8.450 1.773 0.392 0.376 0.625 0.292 CB 1.276 25 residues pruned to eliminate duplicates Z: 6 2.481 1.625 -0.138 0.415 1.000 0.800 CA 0.866 6 residues pruned to eliminate duplicates Z: 39 15.291 1.728 0.434 0.495 0.868 0.526 CB 1.159 39 residues pruned to eliminate duplicates Z: 21 9.911 1.826 0.335 0.483 0.850 0.500 CA 1.088 21 residues pruned to eliminate duplicates Z: 26 11.311 1.766 0.341 0.437 0.880 0.560 CA 1.158 26 residues pruned to eliminate duplicates Z: 32 13.808 1.794 0.351 0.493 0.871 0.548 CB 1.182 32 residues pruned to eliminate duplicates Z: 14 8.481 1.909 0.214 0.462 0.846 0.308 CA 1.246 14 residues pruned to eliminate duplicates Z: 25 11.703 1.829 0.355 0.389 0.917 0.542 CB 1.182 25 residues pruned to eliminate duplicates Z: 25 10.467 1.815 0.219 0.417 0.875 0.500 CB 1.203 25 residues pruned to eliminate duplicates Z: 22 11.315 1.876 0.372 0.434 0.810 0.476 CB 1.268 22 residues pruned to eliminate duplicates Z: 39 13.317 1.734 0.343 0.436 0.816 0.395 CB 1.215 39 residues pruned to eliminate duplicates Z: 28 13.015 1.869 0.423 0.357 0.852 0.370 CB 1.289 28 residues pruned to eliminate duplicates Z: 25 12.526 1.801 0.377 0.485 0.833 0.500 CA 1.256 25 residues pruned to eliminate duplicates Z: 14 9.743 1.858 0.346 0.408 1.000 0.462 CA 1.190 14 residues pruned to eliminate duplicates Z: 10 9.155 1.906 0.588 0.482 1.000 0.667 CA 1.027 10 residues pruned to eliminate duplicates Z: 13 6.991 1.664 0.351 0.401 1.000 0.500 CA 0.997 13 residues pruned to eliminate duplicates Z: 26 16.388 1.774 0.593 0.538 0.920 0.560 CA 1.214 25 residues pruned to eliminate duplicates Z: 6 2.777 1.435 1.262 0.320 0.600 0.400 CA 0.778 Z: 11 7.143 1.452 0.654 0.794 1.000 0.500 CB 0.727 11 residues pruned to eliminate duplicates Z: 10 8.267 1.621 0.433 0.611 1.000 0.556 CB 1.068 10 residues pruned to eliminate duplicates Z: 9 9.023 1.646 0.577 0.699 1.000 0.500 CB 1.025 12 residues pruned to eliminate duplicates Z: 11 7.876 1.518 0.713 0.719 0.800 0.500 CB 0.982 8 residues pruned to eliminate duplicates Z: 6 5.988 1.341 0.602 0.689 1.000 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 8 4.142 1.601 -0.032 0.707 0.857 0.714 CB 0.976 8 residues pruned to eliminate duplicates Z: 6 3.278 1.546 0.494 0.653 0.800 0.400 N 0.688 6 residues pruned to eliminate duplicates Z: 10 6.331 1.408 0.410 0.644 0.889 0.444 CB 1.045 10 residues pruned to eliminate duplicates 6 1.785 1.181 1.406 0.299 0.600 0.400 N 0.586 ? Z: 10 4.664 1.681 0.387 0.293 0.889 0.444 CB 0.946 10 residues pruned to eliminate duplicates Z: 13 13.535 1.691 0.617 0.734 1.000 0.833 CB 1.159 13 residues pruned to eliminate duplicates Z: 12 17.423 1.722 0.766 0.846 1.000 0.727 N 1.283 12 residues pruned to eliminate duplicates Z: 12 14.001 1.622 0.789 0.807 0.909 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 15 13.193 1.531 0.749 0.634 0.929 0.714 CB 1.251 15 residues pruned to eliminate duplicates Z: 14 15.399 1.616 0.828 0.703 1.000 0.769 N 1.202 13 residues pruned to eliminate duplicates Z: 6 13.268 1.830 0.897 0.736 1.000 0.600 CA 1.382 6 residues pruned to eliminate duplicates Z: 7 12.331 1.834 0.610 0.677 1.000 0.667 CB 1.449 7 residues pruned to eliminate duplicates Z: 9 8.095 1.657 0.390 0.552 1.000 0.750 CB 1.181 9 residues pruned to eliminate duplicates Z: 7 13.583 1.793 0.634 0.779 1.000 0.833 CA 1.480 7 residues pruned to eliminate duplicates Z: 11 11.009 1.869 0.567 0.585 0.900 0.700 CB 1.218 11 residues pruned to eliminate duplicates Z: 10 16.679 1.898 0.891 0.828 1.000 1.000 CA 1.167 10 residues pruned to eliminate duplicates Z: 11 10.319 1.662 0.969 0.669 0.800 0.700 CA 1.066 Z: 6 3.373 1.446 1.225 0.307 1.000 0.400 CA 0.581 7 residues pruned to eliminate duplicates Z: 14 11.814 1.770 0.437 0.770 0.923 0.692 CB 1.099 14 residues pruned to eliminate duplicates Z: 24 20.372 1.832 0.715 0.697 0.913 0.870 CB 1.236 32 residues pruned to eliminate duplicates Z: 11 17.354 1.860 0.609 0.906 1.000 1.000 CB 1.305 11 residues pruned to eliminate duplicates Z: 14 10.234 1.822 0.189 0.730 0.923 0.769 CB 1.154 14 residues pruned to eliminate duplicates Z: 24 18.974 1.848 0.446 0.724 0.957 0.739 CB 1.264 24 residues pruned to eliminate duplicates Z: 12 14.564 1.849 0.379 0.886 1.000 0.909 CA 1.242 12 residues pruned to eliminate duplicates Z: 23 19.713 1.882 0.503 0.684 0.909 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 11 13.339 1.885 0.275 0.886 1.000 0.900 CA 1.266 11 residues pruned to eliminate duplicates Z: 16 10.077 1.814 0.318 0.659 0.800 0.733 CB 1.174 16 residues pruned to eliminate duplicates Z: 25 19.195 1.796 0.506 0.699 0.917 0.708 N 1.318 26 residues pruned to eliminate duplicates Z: 13 11.595 1.849 0.273 0.799 0.917 0.750 CA 1.194 13 residues pruned to eliminate duplicates Z: 26 16.920 1.810 0.399 0.646 0.920 0.560 CB 1.267 26 residues pruned to eliminate duplicates Z: 22 13.578 1.765 0.581 0.698 0.810 0.667 CB 1.095 21 residues pruned to eliminate duplicates Z: 14 13.703 1.795 0.393 0.737 0.923 0.769 CA 1.331 14 residues pruned to eliminate duplicates Z: 9 4.566 1.656 0.472 0.651 0.625 0.375 CB 0.921 9 residues pruned to eliminate duplicates Z: 8 4.700 1.580 0.566 0.639 0.714 0.429 CB 0.882 8 residues pruned to eliminate duplicates Z: 12 7.047 1.585 0.565 0.566 0.818 0.727 CB 0.982 12 residues pruned to eliminate duplicates Z: 8 4.114 1.568 0.400 0.627 0.714 0.429 CB 0.880 8 residues pruned to eliminate duplicates Z: 12 7.931 1.576 0.655 0.638 0.909 0.455 CB 0.886 12 residues pruned to eliminate duplicates Z: 10 5.921 1.589 0.243 0.609 0.778 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 11 5.900 1.405 0.563 0.559 0.800 0.600 N 1.003 10 residues pruned to eliminate duplicates Z: 6 3.420 1.223 0.383 0.491 1.000 0.800 CB 0.913 5 residues pruned to eliminate duplicates Z: 6 3.576 1.348 0.868 0.458 1.000 0.600 CA 0.663 Z: 6 4.222 1.661 0.631 0.373 0.800 0.400 CA 0.998 6 residues pruned to eliminate duplicates Z: 6 3.078 1.416 0.437 0.373 0.800 0.400 N 0.968 6 residues pruned to eliminate duplicates Z: 44 20.925 1.693 0.563 0.531 0.930 0.628 CA 1.257 52 residues pruned to eliminate duplicates Z: 6 2.713 1.051 0.642 0.488 1.000 0.800 N 0.711 6 residues pruned to eliminate duplicates Z: 15 11.074 1.729 0.930 0.464 0.786 0.500 N 1.171 15 residues pruned to eliminate duplicates Z: 47 26.698 1.826 0.600 0.605 0.913 0.717 CB 1.335 47 residues pruned to eliminate duplicates Z: 15 12.252 1.901 0.349 0.458 1.000 0.643 CB 1.332 15 residues pruned to eliminate duplicates Z: 21 15.524 1.754 0.644 0.620 1.000 0.850 CB 1.075 21 residues pruned to eliminate duplicates Z: 38 26.017 1.840 0.494 0.660 0.973 0.784 CB 1.379 38 residues pruned to eliminate duplicates Z: 49 20.442 1.787 0.460 0.501 0.896 0.667 CB 1.262 49 residues pruned to eliminate duplicates Z: 46 28.139 1.792 0.554 0.667 0.978 0.800 CB 1.321 43 residues pruned to eliminate duplicates Z: 13 18.190 1.808 0.435 0.912 1.000 0.917 CB 1.434 13 residues pruned to eliminate duplicates Z: 51 26.924 1.782 0.584 0.609 0.920 0.760 CB 1.322 51 residues pruned to eliminate duplicates Z: 15 21.397 1.686 0.764 0.929 1.000 0.857 CA 1.346 15 residues pruned to eliminate duplicates Z: 30 23.800 1.774 0.640 0.737 0.966 0.655 CB 1.272 30 residues pruned to eliminate duplicates Z: 34 21.252 1.740 0.532 0.660 0.970 0.727 CB 1.235 34 residues pruned to eliminate duplicates Z: 21 22.066 1.802 0.700 0.717 0.900 0.750 CB 1.469 21 residues pruned to eliminate duplicates Z: 27 20.382 1.739 0.803 0.710 0.885 0.692 CB 1.190 27 residues pruned to eliminate duplicates Z: 22 22.603 1.777 0.816 0.737 0.905 0.571 CB 1.365 22 residues pruned to eliminate duplicates Z: 23 18.245 1.713 0.627 0.630 0.909 0.545 CA 1.358 23 residues pruned to eliminate duplicates Z: 31 22.122 1.729 0.606 0.681 0.933 0.667 CA 1.319 31 residues pruned to eliminate duplicates Z: 53 31.000 1.760 0.688 0.641 0.962 0.673 CB 1.319 55 residues pruned to eliminate duplicates Z: 28 26.582 1.793 0.671 0.842 1.000 0.815 CB 1.272 28 residues pruned to eliminate duplicates Z: 47 26.153 1.785 0.495 0.638 0.978 0.630 CB 1.298 47 residues pruned to eliminate duplicates Z: 35 24.615 1.702 0.679 0.726 0.941 0.588 CB 1.281 35 residues pruned to eliminate duplicates Z: 21 26.168 1.844 0.801 0.802 1.000 0.800 CB 1.353 21 residues pruned to eliminate duplicates Z: 35 25.910 1.804 0.674 0.724 0.941 0.853 CB 1.277 35 residues pruned to eliminate duplicates Z: 41 29.017 1.783 0.632 0.723 0.975 0.850 CA 1.323 41 residues pruned to eliminate duplicates Z: 28 23.726 1.736 0.713 0.730 0.963 0.704 CA 1.296 28 residues pruned to eliminate duplicates Z: 72 30.951 1.797 0.562 0.580 0.930 0.690 CA 1.303 72 residues pruned to eliminate duplicates Z: 27 24.622 1.808 0.675 0.741 0.923 0.769 CA 1.392 27 residues pruned to eliminate duplicates Z: 28 17.502 1.704 0.610 0.556 0.889 0.704 CB 1.309 28 residues pruned to eliminate duplicates Z: 15 8.356 1.593 0.387 0.542 0.929 0.786 CA 1.044 15 residues pruned to eliminate duplicates Z: 43 26.947 1.754 0.639 0.609 0.976 0.571 CA 1.336 43 residues pruned to eliminate duplicates Z: 44 22.206 1.748 0.471 0.625 0.907 0.791 CA 1.291 44 residues pruned to eliminate duplicates Z: 46 26.036 1.803 0.513 0.655 0.956 0.778 CB 1.289 46 residues pruned to eliminate duplicates Z: 44 28.059 1.811 0.564 0.653 0.977 0.698 CB 1.342 44 residues pruned to eliminate duplicates Z: 37 24.003 1.784 0.550 0.687 0.944 0.722 CB 1.290 37 residues pruned to eliminate duplicates Z: 13 12.223 1.675 0.494 0.616 1.000 0.750 CA 1.263 15 residues pruned to eliminate duplicates Z: 8 3.211 1.105 0.474 0.518 1.000 0.857 CA 0.732 8 residues pruned to eliminate duplicates Z: 13 14.187 1.732 0.563 0.545 1.000 0.500 CB 1.448 13 residues pruned to eliminate duplicates Z: 58 21.929 1.735 0.550 0.553 0.912 0.596 CB 1.125 58 residues pruned to eliminate duplicates Z: 24 13.692 1.701 0.343 0.509 0.870 0.652 CB 1.424 24 residues pruned to eliminate duplicates Z: 6 6.453 1.750 0.557 0.397 1.000 0.400 CA 1.181 695 residues left after pruning, divided into chains as follows: A: 6 B: 18 C: 10 D: 6 E: 8 F: 9 G: 8 H: 100 I: 76 J: 79 K: 19 L: 92 M: 101 N: 52 O: 23 P: 24 Q: 64 CC for partial structure against native data = 36.46 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.389, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.451, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.732 for dens.mod. cycle 3 = 0.300, Contrast = 0.535, Connect. = 0.735 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.741 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.743 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.745 for dens.mod. cycle 8 = 0.300, Contrast = 0.555, Connect. = 0.746 for dens.mod. cycle 9 = 0.300, Contrast = 0.556, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3908 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 806 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 12.820 1.918 0.101 0.846 1.000 1.000 CA 1.504 B: 13 15.951 1.789 0.763 0.801 0.833 0.667 CA 1.347 C: 16 7.255 1.678 0.221 0.364 0.867 0.467 CB 1.221 D: 12 16.807 1.771 0.717 0.871 1.000 0.909 CA 1.216 10 residues pruned to eliminate duplicates E: 10 7.352 1.741 0.411 0.463 0.778 0.556 N 1.332 F: 11 13.794 1.889 0.255 0.852 1.000 0.900 CA 1.361 11 residues pruned to eliminate duplicates G: 40 22.370 1.778 0.524 0.569 0.923 0.538 CB 1.341 H: 12 14.998 1.923 0.425 0.842 1.000 0.818 CA 1.229 12 residues pruned to eliminate duplicates I: 10 7.961 1.869 0.495 0.658 0.889 0.444 CB 0.923 J: 18 12.635 1.864 0.445 0.525 0.882 0.471 CB 1.258 K: 40 18.981 1.772 0.532 0.469 0.872 0.513 CB 1.326 40 residues pruned to eliminate duplicates L: 15 12.728 1.792 0.724 0.570 0.786 0.714 CB 1.310 16 residues pruned to eliminate duplicates M: 7 8.385 1.713 0.593 0.708 0.833 0.833 N 1.246 N: 7 9.931 1.818 0.541 0.811 1.000 0.833 CA 1.104 O: 8 9.137 1.731 0.438 0.870 1.000 0.857 CA 1.013 8 residues pruned to eliminate duplicates P: 32 20.732 1.827 0.434 0.534 0.968 0.419 CA 1.420 32 residues pruned to eliminate duplicates Q: 6 10.621 2.062 0.089 0.883 1.000 1.000 CB 1.530 7 residues pruned to eliminate duplicates R: 8 12.473 1.809 0.943 0.742 1.000 1.000 CB 1.080 S: 12 22.588 1.917 0.911 0.797 0.909 0.909 N 1.577 15 residues pruned to eliminate duplicates T: 7 10.350 1.721 0.639 0.779 1.000 0.833 CB 1.171 U: 13 15.697 1.620 0.681 0.874 1.000 0.917 CA 1.211 V: 11 16.128 1.888 0.389 0.910 1.000 1.000 N 1.380 11 residues pruned to eliminate duplicates W: 12 12.752 1.768 0.299 0.865 0.909 0.909 CA 1.349 12 residues pruned to eliminate duplicates X: 9 14.252 1.837 0.501 0.839 1.000 0.875 CB 1.365 Y: 13 14.440 1.849 0.667 0.791 0.833 0.750 CA 1.257 13 residues pruned to eliminate duplicates Z: 10 7.879 1.645 0.474 0.504 1.000 0.556 CB 1.079 10 residues pruned to eliminate duplicates Z: 6 11.746 1.953 0.455 0.862 1.000 1.000 CA 1.358 6 residues pruned to eliminate duplicates Z: 11 20.763 1.859 0.761 0.895 1.000 1.000 N 1.438 12 residues pruned to eliminate duplicates Z: 15 13.388 1.905 0.696 0.539 0.857 0.643 CB 1.244 Z: 12 17.266 1.710 0.870 0.895 1.000 0.818 CB 1.167 Z: 12 10.851 1.747 0.476 0.816 0.818 0.636 CB 1.178 12 residues pruned to eliminate duplicates Z: 22 12.049 1.570 0.502 0.801 0.905 0.571 CB 0.947 Z: 17 11.359 1.638 0.679 0.424 0.875 0.500 N 1.277 Z: 12 12.245 1.972 0.594 0.569 1.000 0.545 CB 1.099 12 residues pruned to eliminate duplicates Z: 20 10.845 1.787 0.388 0.421 0.842 0.632 CB 1.294 Z: 7 5.849 1.676 0.633 0.418 0.833 0.500 CA 1.139 Z: 9 6.704 1.495 0.416 0.631 0.875 0.625 CA 1.131 7 residues pruned to eliminate duplicates Z: 11 26.933 2.017 0.916 0.878 1.000 0.900 CA 1.599 13 residues pruned to eliminate duplicates Z: 37 20.408 1.734 0.411 0.556 0.944 0.611 CB 1.395 37 residues pruned to eliminate duplicates Z: 11 11.366 1.656 1.028 0.509 0.800 0.600 CB 1.326 Z: 6 9.195 1.879 0.420 0.859 1.000 1.000 CA 1.134 6 residues pruned to eliminate duplicates Z: 11 23.868 1.945 0.889 0.884 1.000 1.000 CB 1.484 11 residues pruned to eliminate duplicates Z: 37 19.979 1.857 0.550 0.544 0.917 0.667 CB 1.208 14 residues pruned to eliminate duplicates Z: 14 17.031 1.890 0.772 0.706 0.923 0.615 CB 1.267 14 residues pruned to eliminate duplicates Z: 10 8.760 1.668 0.391 0.706 0.889 0.667 CA 1.174 Z: 27 11.787 1.710 0.488 0.360 0.846 0.500 CB 1.249 20 residues pruned to eliminate duplicates Z: 12 23.712 1.884 0.986 0.830 1.000 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 12 18.623 1.794 0.787 0.931 1.000 1.000 CB 1.224 11 residues pruned to eliminate duplicates Z: 6 6.737 1.697 0.106 0.853 1.000 1.000 CB 1.186 Z: 6 5.855 1.757 0.009 0.651 1.000 0.600 CB 1.283 Z: 6 9.076 1.971 0.569 0.650 0.800 0.600 CA 1.427 6 residues pruned to eliminate duplicates Z: 7 4.952 1.919 0.072 0.453 0.833 0.667 CA 1.237 Z: 18 16.529 1.785 0.651 0.698 0.882 0.294 CB 1.287 18 residues pruned to eliminate duplicates Z: 8 10.688 1.684 0.485 0.849 1.000 0.857 CB 1.198 Z: 8 14.109 1.847 0.708 0.889 1.000 0.857 CA 1.217 6 residues pruned to eliminate duplicates Z: 11 6.092 1.527 0.203 0.858 0.800 0.700 CB 0.965 11 residues pruned to eliminate duplicates Z: 6 4.767 1.706 0.351 0.670 0.800 0.600 CB 0.988 Z: 16 10.066 1.699 0.502 0.570 0.933 0.600 CA 1.020 16 residues pruned to eliminate duplicates Z: 11 10.559 1.717 0.331 0.764 1.000 0.700 CB 1.156 6 residues pruned to eliminate duplicates Z: 6 6.171 1.506 0.992 0.586 1.000 0.600 CB 0.847 Z: 21 17.219 1.750 0.699 0.768 0.850 0.600 CB 1.201 13 residues pruned to eliminate duplicates Z: 10 20.284 1.936 0.806 0.824 1.000 0.556 CB 1.460 10 residues pruned to eliminate duplicates Z: 11 17.273 1.892 0.847 0.896 0.900 0.800 CB 1.244 11 residues pruned to eliminate duplicates Z: 13 11.375 1.879 0.738 0.565 0.833 0.500 CB 1.133 13 residues pruned to eliminate duplicates Z: 12 14.744 1.763 0.896 0.741 1.000 0.909 CA 1.071 Z: 6 3.702 1.539 0.759 0.346 0.800 0.600 N 0.904 Z: 13 10.383 1.678 0.418 0.727 0.917 0.667 CB 1.120 Z: 9 9.399 1.683 0.409 0.872 1.000 0.625 CB 1.021 Z: 7 6.310 1.609 0.361 0.531 0.833 0.500 CB 1.369 Z: 11 15.181 1.693 0.498 0.901 1.000 0.800 N 1.351 13 residues pruned to eliminate duplicates Z: 10 4.025 1.658 0.636 0.250 0.556 0.333 CB 1.186 Z: 13 14.229 1.735 0.623 0.741 0.917 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 13 11.579 1.723 0.609 0.597 0.833 0.667 CB 1.319 13 residues pruned to eliminate duplicates Z: 15 14.375 1.805 0.575 0.881 0.929 0.714 CB 1.054 Z: 14 16.678 1.741 0.477 0.933 1.000 1.000 CB 1.255 14 residues pruned to eliminate duplicates Z: 14 12.932 1.757 0.090 0.921 1.000 0.923 CA 1.317 14 residues pruned to eliminate duplicates Z: 12 17.617 1.813 0.583 0.833 1.000 0.545 N 1.388 12 residues pruned to eliminate duplicates Z: 8 10.962 1.827 0.440 0.796 1.000 0.857 CB 1.215 7 residues pruned to eliminate duplicates Z: 8 3.507 1.576 0.588 0.317 0.571 0.429 CB 1.135 4 residues pruned to eliminate duplicates Z: 8 9.883 1.710 0.701 0.773 1.000 0.857 CA 1.009 Z: 8 13.086 1.670 1.058 0.698 1.000 0.714 CA 1.201 11 residues pruned to eliminate duplicates Z: 32 16.218 1.709 0.690 0.499 0.871 0.613 CB 1.159 Z: 14 15.187 1.740 0.653 0.836 0.923 0.692 CB 1.188 13 residues pruned to eliminate duplicates Z: 16 11.569 1.700 0.723 0.807 0.800 0.600 CB 0.975 16 residues pruned to eliminate duplicates Z: 13 17.822 1.769 0.908 0.777 1.000 0.750 CB 1.193 14 residues pruned to eliminate duplicates Z: 9 4.380 1.569 0.714 0.514 0.750 0.500 CB 0.757 Z: 11 14.668 1.915 0.309 0.864 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 12 14.602 1.653 0.497 0.862 1.000 0.818 N 1.307 12 residues pruned to eliminate duplicates Z: 7 6.191 1.635 0.169 0.835 1.000 0.667 CB 0.990 6 residues pruned to eliminate duplicates Z: 14 7.679 1.588 0.198 0.596 0.923 0.846 CB 1.107 Z: 7 8.935 1.878 0.478 0.799 0.833 0.667 CB 1.215 8 residues pruned to eliminate duplicates Z: 11 12.641 1.786 0.804 0.804 1.000 0.800 CB 0.951 10 residues pruned to eliminate duplicates Z: 7 5.681 1.580 0.727 0.698 1.000 0.500 CB 0.709 Z: 14 3.511 1.638 0.479 0.190 0.692 0.308 CB 0.842 14 residues pruned to eliminate duplicates Z: 6 4.095 1.351 0.491 0.397 1.000 0.400 CB 1.013 Z: 8 3.599 1.463 0.332 0.378 0.857 0.571 N 0.928 8 residues pruned to eliminate duplicates Z: 8 7.287 1.589 0.104 0.850 1.000 1.000 CA 1.163 6 residues pruned to eliminate duplicates Z: 10 11.031 1.823 0.416 0.785 0.889 0.889 CB 1.247 10 residues pruned to eliminate duplicates Z: 28 10.552 1.607 0.465 0.443 0.815 0.370 CB 1.122 7 residues pruned to eliminate duplicates Z: 6 2.134 1.406 0.487 0.347 0.600 0.400 CB 0.898 Z: 22 12.056 1.794 0.411 0.504 0.905 0.619 CA 1.144 22 residues pruned to eliminate duplicates Z: 9 7.953 1.601 0.822 0.588 0.875 0.875 CB 1.013 Z: 11 17.774 1.868 0.639 0.899 1.000 0.900 CB 1.313 11 residues pruned to eliminate duplicates Z: 18 8.153 1.448 0.552 0.503 0.882 0.471 CB 0.994 17 residues pruned to eliminate duplicates Z: 14 8.720 1.566 0.673 0.565 0.769 0.692 CB 1.126 Z: 18 13.152 1.720 0.555 0.628 0.882 0.765 CA 1.198 18 residues pruned to eliminate duplicates Z: 19 15.734 1.583 0.828 0.703 0.889 0.444 N 1.199 Z: 6 3.471 1.251 0.450 0.387 1.000 0.600 O 0.964 Z: 14 14.518 1.651 0.679 0.827 1.000 0.692 CB 1.095 12 residues pruned to eliminate duplicates Z: 6 6.555 1.538 0.521 0.772 1.000 0.800 CB 0.985 Z: 39 16.400 1.784 0.513 0.521 0.868 0.737 CB 1.112 39 residues pruned to eliminate duplicates Z: 10 10.767 1.623 0.869 0.755 0.778 0.778 CA 1.212 Z: 17 13.943 1.789 0.554 0.787 0.875 0.375 CB 1.113 17 residues pruned to eliminate duplicates Z: 40 21.802 1.747 0.493 0.566 0.949 0.590 CB 1.323 40 residues pruned to eliminate duplicates Z: 12 7.182 1.536 0.450 0.633 1.000 0.455 CB 0.859 10 residues pruned to eliminate duplicates Z: 15 4.739 1.575 0.670 0.369 0.643 0.357 CB 0.862 Z: 7 7.507 1.666 0.588 0.730 0.667 0.333 N 1.413 7 residues pruned to eliminate duplicates Z: 7 3.945 1.598 0.317 0.400 0.833 0.500 CB 1.020 Z: 12 12.901 1.785 0.791 0.554 0.818 0.364 CB 1.411 10 residues pruned to eliminate duplicates Z: 7 5.956 1.585 0.137 0.839 1.000 0.833 CB 1.007 Z: 14 7.920 1.673 0.447 0.412 0.846 0.615 CB 1.177 14 residues pruned to eliminate duplicates Z: 14 11.815 1.708 0.697 0.505 0.923 0.538 CA 1.218 17 residues pruned to eliminate duplicates Z: 8 6.874 1.818 0.212 0.563 0.857 0.571 CA 1.295 Z: 31 14.216 1.642 0.502 0.472 0.900 0.600 CB 1.203 28 residues pruned to eliminate duplicates Z: 9 5.291 1.699 0.146 0.563 1.000 0.375 CB 0.904 Z: 16 13.345 1.643 0.398 0.859 1.000 0.733 CB 1.104 15 residues pruned to eliminate duplicates Z: 13 14.234 1.762 0.219 0.830 1.000 0.667 CB 1.438 13 residues pruned to eliminate duplicates Z: 32 16.259 1.728 0.518 0.550 0.903 0.355 CB 1.174 23 residues pruned to eliminate duplicates Z: 16 17.017 1.758 0.524 0.803 1.000 0.800 CB 1.259 16 residues pruned to eliminate duplicates Z: 6 7.247 1.674 0.667 0.692 1.000 0.600 CB 0.974 6 residues pruned to eliminate duplicates Z: 10 7.514 1.548 0.394 0.788 0.889 0.444 N 1.013 Z: 7 5.656 1.415 0.464 0.747 1.000 0.833 CB 0.894 7 residues pruned to eliminate duplicates Z: 12 9.751 1.716 0.473 0.788 0.818 0.545 CB 1.104 7 residues pruned to eliminate duplicates Z: 8 5.555 1.770 0.056 0.460 0.857 0.571 CB 1.366 Z: 10 7.087 1.739 0.103 0.761 1.000 0.778 CB 0.977 10 residues pruned to eliminate duplicates Z: 28 17.188 1.842 0.571 0.539 0.889 0.630 CB 1.238 28 residues pruned to eliminate duplicates Z: 13 10.943 1.646 0.359 0.752 0.917 0.500 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 6.310 1.591 0.416 0.501 0.800 0.500 CB 1.105 11 residues pruned to eliminate duplicates Z: 11 11.304 1.872 0.883 0.553 1.000 0.600 CB 0.963 7 residues pruned to eliminate duplicates Z: 12 15.355 1.690 0.660 0.897 1.000 0.909 CA 1.181 14 residues pruned to eliminate duplicates Z: 12 7.090 1.550 0.442 0.862 0.727 0.545 CB 0.966 12 residues pruned to eliminate duplicates Z: 9 7.797 1.438 0.559 0.717 0.875 0.500 CB 1.154 Z: 11 7.211 1.680 0.733 0.340 0.900 0.600 CA 1.036 17 residues pruned to eliminate duplicates Z: 36 17.330 1.802 0.499 0.546 0.857 0.714 CB 1.210 36 residues pruned to eliminate duplicates Z: 7 3.866 1.533 0.494 0.495 0.833 0.667 N 0.830 Z: 14 12.080 1.585 0.492 0.881 1.000 0.923 CB 1.026 10 residues pruned to eliminate duplicates Z: 8 9.078 1.653 0.531 0.841 1.000 0.714 N 1.011 9 residues pruned to eliminate duplicates Z: 11 11.555 1.742 0.364 0.788 1.000 0.900 CA 1.194 12 residues pruned to eliminate duplicates Z: 14 12.150 1.777 0.514 0.562 0.923 0.538 CA 1.278 Z: 22 22.112 1.851 0.653 0.730 0.952 0.714 CB 1.347 13 residues pruned to eliminate duplicates Z: 10 19.781 1.874 0.834 0.846 1.000 0.778 CA 1.425 10 residues pruned to eliminate duplicates Z: 22 15.303 1.722 0.427 0.687 0.952 0.810 CB 1.202 21 residues pruned to eliminate duplicates Z: 13 14.246 1.657 0.780 0.849 0.917 0.917 CA 1.127 13 residues pruned to eliminate duplicates Z: 6 3.292 1.451 0.232 0.416 1.000 0.400 CB 0.898 Z: 7 4.368 1.588 0.099 0.764 0.833 0.667 CB 0.970 6 residues pruned to eliminate duplicates Z: 10 8.238 1.736 0.407 0.558 0.889 0.556 CB 1.195 9 residues pruned to eliminate duplicates Z: 8 4.655 1.520 -0.023 0.848 0.857 0.714 CB 1.026 7 residues pruned to eliminate duplicates Z: 10 10.980 1.881 0.496 0.591 0.889 0.667 CA 1.341 10 residues pruned to eliminate duplicates Z: 8 9.607 1.626 0.572 0.859 1.000 1.000 CA 1.046 Z: 14 19.189 1.796 0.829 0.809 0.846 0.846 CB 1.462 15 residues pruned to eliminate duplicates Z: 14 15.621 1.781 0.529 0.854 1.000 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 15 6.975 1.776 0.549 0.262 0.857 0.500 CB 1.037 16 residues pruned to eliminate duplicates Z: 14 13.392 1.815 0.677 0.596 0.923 0.615 CA 1.207 14 residues pruned to eliminate duplicates Z: 15 14.265 1.842 0.716 0.492 0.929 0.786 CB 1.309 15 residues pruned to eliminate duplicates Z: 6 7.487 1.742 0.561 0.430 1.000 0.600 CA 1.324 6 residues pruned to eliminate duplicates Z: 9 9.175 1.770 0.037 0.878 1.000 0.875 N 1.283 9 residues pruned to eliminate duplicates Z: 6 4.651 1.605 0.662 0.578 1.000 0.400 CB 0.723 6 residues pruned to eliminate duplicates Z: 12 8.190 1.574 0.388 0.474 1.000 0.545 CB 1.160 Z: 38 19.730 1.798 0.465 0.553 0.919 0.622 CB 1.273 37 residues pruned to eliminate duplicates Z: 7 5.686 1.747 -0.018 0.662 1.000 0.667 CB 1.164 8 residues pruned to eliminate duplicates Z: 15 20.175 1.869 0.614 0.785 0.929 0.786 CA 1.498 15 residues pruned to eliminate duplicates Z: 20 10.092 1.779 0.332 0.443 0.895 0.684 CB 1.158 13 residues pruned to eliminate duplicates Z: 12 5.344 1.504 0.298 0.678 0.818 0.636 CB 0.856 Z: 6 4.495 1.588 0.308 0.593 0.800 0.400 CB 1.107 Z: 6 5.014 1.759 0.254 0.528 1.000 0.400 CA 0.989 Z: 24 16.824 1.727 0.647 0.762 0.913 0.609 CB 1.070 22 residues pruned to eliminate duplicates Z: 14 10.694 1.685 0.094 0.808 0.923 0.692 CB 1.333 14 residues pruned to eliminate duplicates Z: 6 5.200 1.574 -0.031 0.885 1.000 1.000 CB 1.101 6 residues pruned to eliminate duplicates Z: 12 4.165 1.490 0.466 0.295 0.636 0.455 O 1.136 10 residues pruned to eliminate duplicates Z: 9 6.111 1.512 0.338 0.535 0.875 0.250 CB 1.179 9 residues pruned to eliminate duplicates Z: 13 15.260 1.648 0.879 0.843 0.917 0.750 CB 1.155 13 residues pruned to eliminate duplicates Z: 10 11.073 1.549 0.826 0.927 1.000 0.889 CB 0.914 9 residues pruned to eliminate duplicates Z: 8 4.487 1.431 0.241 0.599 1.000 0.571 CB 0.869 Z: 9 9.765 1.531 0.434 0.910 1.000 0.875 CB 1.115 9 residues pruned to eliminate duplicates Z: 10 3.793 1.586 0.116 0.406 0.778 0.667 CB 1.013 Z: 7 6.859 1.489 0.356 0.661 1.000 0.667 O 1.195 Z: 15 17.270 1.823 0.483 0.873 0.929 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 12 4.179 1.520 0.026 0.265 0.818 0.455 O 1.290 Z: 10 8.149 1.604 0.649 0.865 1.000 0.444 CB 0.752 10 residues pruned to eliminate duplicates Z: 15 9.324 1.570 0.591 0.771 0.786 0.429 CB 0.999 11 residues pruned to eliminate duplicates Z: 10 10.997 1.785 0.473 0.796 0.889 0.667 CA 1.210 10 residues pruned to eliminate duplicates Z: 8 6.692 1.565 0.479 0.570 0.857 0.714 CB 1.191 Z: 10 7.529 1.645 0.590 0.624 0.889 0.667 N 0.961 Z: 7 6.865 1.505 0.745 0.565 1.000 0.667 CB 1.003 Z: 12 16.273 1.676 0.908 0.912 1.000 0.909 CA 1.087 12 residues pruned to eliminate duplicates Z: 12 13.705 1.721 0.594 0.840 1.000 0.909 CA 1.124 12 residues pruned to eliminate duplicates Z: 16 7.381 1.590 0.452 0.560 0.800 0.667 CB 0.974 10 residues pruned to eliminate duplicates Z: 16 10.089 1.640 0.620 0.436 0.867 0.467 CA 1.209 11 residues pruned to eliminate duplicates Z: 9 6.806 1.500 0.635 0.706 0.750 0.750 CA 1.085 9 residues pruned to eliminate duplicates Z: 24 12.601 1.574 0.648 0.532 0.913 0.609 CB 1.075 9 residues pruned to eliminate duplicates Z: 9 4.627 1.640 0.152 0.513 0.750 0.500 CB 1.141 Z: 14 17.314 1.754 0.645 0.772 0.923 0.538 CA 1.418 14 residues pruned to eliminate duplicates Z: 10 12.075 1.513 0.564 0.827 1.000 0.889 CA 1.282 9 residues pruned to eliminate duplicates Z: 7 7.465 1.427 0.506 0.831 1.000 0.667 N 1.065 7 residues pruned to eliminate duplicates Z: 11 19.182 1.934 0.507 0.900 1.000 0.800 CB 1.487 11 residues pruned to eliminate duplicates Z: 17 12.634 1.856 0.425 0.572 0.938 0.625 CB 1.189 10 residues pruned to eliminate duplicates Z: 7 3.342 1.424 0.175 0.319 1.000 0.333 CB 0.996 Z: 17 10.459 1.521 0.632 0.658 0.938 0.500 N 0.970 14 residues pruned to eliminate duplicates Z: 6 7.603 1.694 0.479 0.852 1.000 1.000 CA 1.004 5 residues pruned to eliminate duplicates Z: 6 7.994 1.749 0.381 0.764 1.000 1.000 CA 1.171 6 residues pruned to eliminate duplicates Z: 7 4.639 1.529 0.872 0.443 0.667 0.667 CB 1.053 Z: 10 7.829 1.629 0.566 0.539 0.889 0.444 CB 1.108 5 residues pruned to eliminate duplicates Z: 9 9.339 1.468 0.497 0.860 1.000 0.875 CB 1.105 Z: 18 7.646 1.631 0.186 0.639 0.824 0.588 CB 1.022 14 residues pruned to eliminate duplicates Z: 7 6.600 1.520 0.390 0.851 1.000 0.833 CB 0.944 7 residues pruned to eliminate duplicates Z: 14 18.596 1.765 0.581 0.873 1.000 0.923 CA 1.346 13 residues pruned to eliminate duplicates Z: 9 11.720 1.658 0.648 0.703 1.000 0.750 N 1.260 15 residues pruned to eliminate duplicates Z: 12 2.921 1.415 0.236 0.169 0.818 0.273 CB 0.919 Z: 10 8.215 1.526 0.238 0.848 1.000 0.556 CA 1.075 10 residues pruned to eliminate duplicates Z: 21 19.524 1.756 0.758 0.793 0.950 0.400 CB 1.152 23 residues pruned to eliminate duplicates Z: 12 8.084 1.478 0.543 0.783 0.909 0.545 CB 0.916 6 residues pruned to eliminate duplicates Z: 13 12.239 1.717 0.611 0.726 0.750 0.500 CB 1.389 13 residues pruned to eliminate duplicates Z: 7 5.998 1.742 0.320 0.821 0.833 0.833 CB 0.968 7 residues pruned to eliminate duplicates Z: 9 7.006 1.619 0.472 0.615 0.875 0.375 CB 1.064 9 residues pruned to eliminate duplicates Z: 12 15.047 1.807 0.534 0.768 0.909 0.455 CA 1.420 12 residues pruned to eliminate duplicates Z: 8 6.109 1.418 0.894 0.733 0.857 0.571 CB 0.813 8 residues pruned to eliminate duplicates Z: 14 15.030 1.620 0.636 0.900 1.000 0.846 CA 1.123 10 residues pruned to eliminate duplicates Z: 8 8.517 1.526 1.007 0.815 1.000 0.857 CB 0.799 5 residues pruned to eliminate duplicates Z: 11 5.351 1.629 0.064 0.532 0.900 0.500 CB 1.052 11 residues pruned to eliminate duplicates Z: 17 7.459 1.345 0.320 0.758 1.000 0.438 CB 0.835 8 residues pruned to eliminate duplicates Z: 10 7.187 1.551 0.306 0.801 0.778 0.667 CB 1.168 10 residues pruned to eliminate duplicates Z: 10 9.277 1.606 0.482 0.672 0.889 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 11 12.810 1.607 0.797 0.847 0.900 0.800 CB 1.157 11 residues pruned to eliminate duplicates Z: 9 15.037 1.734 1.121 0.850 1.000 1.000 CA 1.070 9 residues pruned to eliminate duplicates Z: 13 10.529 1.557 0.499 0.754 0.917 0.417 CA 1.133 13 residues pruned to eliminate duplicates Z: 10 3.377 1.608 -0.042 0.621 0.778 0.556 CB 0.838 Z: 12 11.851 1.735 0.469 0.879 1.000 0.909 CA 1.017 12 residues pruned to eliminate duplicates Z: 10 14.774 1.850 0.578 0.810 0.889 0.556 CB 1.449 10 residues pruned to eliminate duplicates Z: 6 5.736 1.644 0.418 0.410 1.000 0.600 N 1.209 6 residues pruned to eliminate duplicates Z: 6 7.623 1.707 0.730 0.637 1.000 0.800 CB 1.016 Z: 15 10.428 1.510 0.581 0.834 0.929 0.714 CB 0.943 15 residues pruned to eliminate duplicates Z: 18 6.126 1.653 0.241 0.337 0.765 0.471 CB 1.132 18 residues pruned to eliminate duplicates Z: 9 7.286 1.804 0.159 0.833 0.875 0.625 CB 1.056 9 residues pruned to eliminate duplicates Z: 7 2.222 1.399 0.140 0.360 0.833 0.500 N 0.793 Z: 9 5.371 1.495 0.389 0.816 1.000 0.500 CB 0.695 Z: 6 4.717 1.645 0.533 0.474 1.000 0.600 CB 0.859 Z: 11 7.952 1.533 0.672 0.632 0.900 0.600 CB 0.963 11 residues pruned to eliminate duplicates Z: 12 12.078 1.619 0.264 0.884 1.000 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 17 9.848 1.848 0.433 0.401 0.812 0.562 CB 1.270 17 residues pruned to eliminate duplicates Z: 23 15.178 1.757 0.450 0.533 0.909 0.636 CA 1.353 39 residues pruned to eliminate duplicates Z: 12 6.724 1.498 0.475 0.452 0.909 0.636 N 1.060 Z: 6 4.209 1.422 0.430 0.493 0.800 0.600 O 1.164 Z: 19 11.779 1.815 0.461 0.447 0.889 0.611 CA 1.243 19 residues pruned to eliminate duplicates Z: 7 4.810 1.550 0.263 0.482 0.833 0.500 C 1.226 7 residues pruned to eliminate duplicates Z: 16 12.254 1.724 0.648 0.472 0.867 0.400 CA 1.322 16 residues pruned to eliminate duplicates Z: 6 3.532 1.593 0.093 0.788 1.000 1.000 CB 0.704 Z: 9 5.129 1.948 0.039 0.350 0.875 0.625 CA 1.206 9 residues pruned to eliminate duplicates Z: 12 10.688 1.642 0.607 0.769 0.818 0.636 N 1.176 11 residues pruned to eliminate duplicates Z: 14 11.599 1.739 0.726 0.435 0.923 0.615 CB 1.241 14 residues pruned to eliminate duplicates Z: 15 15.937 1.738 0.570 0.831 1.000 0.571 CA 1.173 16 residues pruned to eliminate duplicates Z: 12 2.628 1.583 -0.075 0.382 0.909 0.545 CB 0.674 Z: 11 15.022 1.826 0.576 0.620 1.000 0.700 CA 1.475 9 residues pruned to eliminate duplicates Z: 9 4.608 1.448 0.272 0.803 0.875 0.875 CA 0.776 6 residues pruned to eliminate duplicates Z: 12 9.614 1.940 0.365 0.448 0.909 0.455 CA 1.270 12 residues pruned to eliminate duplicates Z: 14 14.868 1.654 0.621 0.876 1.000 0.846 N 1.118 17 residues pruned to eliminate duplicates Z: 6 4.328 1.632 0.439 0.519 0.800 0.800 CB 1.011 Z: 8 6.839 1.688 0.936 0.547 0.714 0.714 N 1.058 8 residues pruned to eliminate duplicates Z: 10 4.837 1.379 0.538 0.388 0.778 0.333 N 1.101 Z: 13 8.732 1.560 0.288 0.693 0.833 0.500 CA 1.261 13 residues pruned to eliminate duplicates Z: 19 8.792 1.619 0.472 0.371 0.889 0.667 CA 1.123 25 residues pruned to eliminate duplicates Z: 19 14.139 1.829 0.678 0.535 0.889 0.778 CA 1.180 19 residues pruned to eliminate duplicates Z: 15 15.921 1.804 0.671 0.837 0.929 0.714 CA 1.137 15 residues pruned to eliminate duplicates Z: 9 6.893 1.488 0.269 0.814 1.000 0.750 CB 0.982 6 residues pruned to eliminate duplicates Z: 18 8.590 1.697 0.380 0.375 0.824 0.353 CA 1.234 18 residues pruned to eliminate duplicates Z: 37 23.194 1.795 0.561 0.582 0.972 0.556 CB 1.311 37 residues pruned to eliminate duplicates Z: 10 8.363 1.639 0.425 0.591 1.000 0.889 CA 1.094 10 residues pruned to eliminate duplicates Z: 8 7.487 1.494 0.958 0.870 1.000 0.571 CB 0.706 5 residues pruned to eliminate duplicates Z: 7 7.127 1.558 0.406 0.837 0.833 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 10 7.830 1.439 0.623 0.760 0.889 0.667 CA 0.998 9 residues pruned to eliminate duplicates Z: 6 2.995 1.509 -0.188 0.872 1.000 1.000 CA 0.797 6 residues pruned to eliminate duplicates Z: 12 11.599 1.575 1.063 0.559 0.818 0.636 N 1.242 11 residues pruned to eliminate duplicates Z: 9 9.976 1.532 0.378 0.731 1.000 0.750 CA 1.357 8 residues pruned to eliminate duplicates Z: 9 4.469 1.478 0.290 0.269 0.875 0.500 N 1.232 Z: 22 8.076 1.683 0.270 0.346 0.905 0.381 CB 1.078 22 residues pruned to eliminate duplicates Z: 6 4.251 1.647 0.344 0.705 0.800 0.600 CA 0.891 6 residues pruned to eliminate duplicates Z: 27 14.651 1.661 0.469 0.560 0.885 0.577 CB 1.256 32 residues pruned to eliminate duplicates Z: 6 3.722 1.646 -0.093 0.739 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 19 5.787 1.543 0.391 0.262 0.722 0.500 CB 1.155 19 residues pruned to eliminate duplicates Z: 6 2.355 1.633 0.294 0.867 1.000 1.000 CB 0.365 Z: 8 8.651 1.504 0.426 0.890 1.000 0.857 CB 1.096 8 residues pruned to eliminate duplicates Z: 11 8.220 1.647 0.251 0.745 0.900 0.600 CA 1.126 11 residues pruned to eliminate duplicates Z: 9 4.525 1.575 0.362 0.881 1.000 1.000 CB 0.540 9 residues pruned to eliminate duplicates Z: 45 23.544 1.737 0.614 0.574 0.909 0.614 CB 1.297 59 residues pruned to eliminate duplicates Z: 10 7.841 1.723 0.800 0.280 0.778 0.444 N 1.390 9 residues pruned to eliminate duplicates Z: 15 17.198 1.715 0.492 0.902 1.000 1.000 CA 1.282 15 residues pruned to eliminate duplicates Z: 7 8.742 1.653 0.594 0.905 1.000 1.000 CB 0.964 7 residues pruned to eliminate duplicates Z: 6 2.175 1.669 0.034 0.503 0.800 0.200 CA 0.703 6 residues pruned to eliminate duplicates Z: 9 3.381 1.354 0.196 0.444 0.875 0.375 CB 0.894 Z: 10 5.741 1.557 0.427 0.709 0.667 0.444 CB 1.069 9 residues pruned to eliminate duplicates Z: 6 3.806 1.436 0.543 0.401 0.800 0.600 CB 1.067 Z: 15 18.742 1.870 0.669 0.750 0.929 0.857 CB 1.383 15 residues pruned to eliminate duplicates Z: 6 4.563 1.751 -0.209 0.839 1.000 1.000 CB 1.101 Z: 9 2.406 1.509 0.142 0.322 0.750 0.625 CB 0.801 Z: 6 4.199 1.664 0.074 0.296 1.000 0.800 CB 1.321 6 residues pruned to eliminate duplicates Z: 6 12.126 1.730 0.945 0.820 1.000 0.800 CA 1.221 9 residues pruned to eliminate duplicates Z: 12 10.775 1.723 0.183 0.918 1.000 1.000 CA 1.124 12 residues pruned to eliminate duplicates Z: 8 5.509 1.486 0.141 0.789 0.857 0.571 N 1.111 8 residues pruned to eliminate duplicates Z: 7 3.789 1.424 0.363 0.481 0.833 0.667 N 0.976 4 residues pruned to eliminate duplicates Z: 7 16.120 1.911 0.986 0.785 1.000 1.000 CA 1.349 10 residues pruned to eliminate duplicates Z: 6 2.176 1.230 0.374 0.434 0.800 0.600 N 0.771 Z: 6 4.681 1.660 0.734 0.481 0.800 0.800 CA 0.927 Z: 6 3.020 1.307 0.409 0.628 0.800 0.800 CA 0.813 6 residues pruned to eliminate duplicates Z: 16 6.479 1.698 0.384 0.299 0.800 0.400 CB 1.115 9 residues pruned to eliminate duplicates Z: 9 9.392 1.652 0.642 0.754 0.875 0.625 CB 1.115 9 residues pruned to eliminate duplicates Z: 11 11.428 1.468 0.556 0.888 1.000 0.900 CB 1.139 Z: 10 11.290 1.680 0.272 0.788 1.000 0.778 CB 1.367 10 residues pruned to eliminate duplicates Z: 6 7.036 1.868 0.269 0.849 1.000 1.000 CB 0.984 Z: 10 5.620 1.723 0.254 0.543 0.889 0.333 CB 0.935 6 residues pruned to eliminate duplicates Z: 9 2.856 1.475 0.040 0.296 0.750 0.500 CB 1.102 7 residues pruned to eliminate duplicates Z: 13 15.207 1.649 1.027 0.788 0.917 0.583 CB 1.112 13 residues pruned to eliminate duplicates Z: 23 11.146 1.750 0.346 0.574 0.818 0.500 CB 1.149 23 residues pruned to eliminate duplicates Z: 7 5.647 1.824 0.472 0.506 0.833 0.667 CB 1.025 5 residues pruned to eliminate duplicates 6 0.563 1.243 1.309 0.425 1.000 0.600 CB 0.095 ? Z: 12 9.860 1.635 0.477 0.885 0.909 0.909 CB 0.978 12 residues pruned to eliminate duplicates Z: 6 2.163 1.151 0.613 0.786 1.000 0.600 CB 0.405 4 residues pruned to eliminate duplicates Z: 7 14.127 1.808 0.781 0.841 1.000 0.833 CA 1.336 Z: 32 17.965 1.720 0.535 0.494 0.935 0.645 CB 1.315 44 residues pruned to eliminate duplicates Z: 6 3.608 1.406 0.300 0.752 1.000 0.600 CB 0.706 Z: 11 10.551 1.615 0.754 0.879 0.900 0.900 CA 0.949 10 residues pruned to eliminate duplicates Z: 13 5.721 1.523 0.334 0.557 0.917 0.667 N 0.839 10 residues pruned to eliminate duplicates Z: 9 7.000 1.549 1.053 0.503 0.750 0.500 N 1.035 Z: 13 6.078 1.591 0.097 0.643 0.833 0.417 CB 1.055 13 residues pruned to eliminate duplicates Z: 6 2.609 1.203 0.450 0.592 0.600 0.600 O 1.021 Z: 10 9.786 1.632 0.846 0.772 0.778 0.333 CB 1.094 10 residues pruned to eliminate duplicates Z: 14 12.668 1.765 0.737 0.560 0.769 0.692 CA 1.405 14 residues pruned to eliminate duplicates Z: 13 16.737 1.786 0.805 0.930 1.000 0.917 CB 1.048 13 residues pruned to eliminate duplicates Z: 21 15.237 1.631 0.515 0.574 0.950 0.600 CB 1.351 21 residues pruned to eliminate duplicates Z: 6 3.479 1.391 0.615 0.528 0.800 0.400 CB 0.842 Z: 18 11.108 1.736 0.499 0.484 0.824 0.588 CA 1.278 18 residues pruned to eliminate duplicates Z: 9 6.139 1.591 0.344 0.505 0.875 0.625 N 1.154 9 residues pruned to eliminate duplicates Z: 14 13.290 1.757 0.345 0.832 1.000 0.692 CA 1.171 14 residues pruned to eliminate duplicates Z: 7 7.971 1.644 0.458 0.756 1.000 0.500 CA 1.081 7 residues pruned to eliminate duplicates Z: 7 2.787 1.446 0.166 0.238 0.833 0.500 N 1.098 Z: 7 3.265 1.473 0.380 0.373 0.667 0.500 CA 1.127 Z: 7 5.414 1.551 0.471 0.475 0.833 0.333 CB 1.193 7 residues pruned to eliminate duplicates Z: 12 5.885 1.511 0.469 0.685 0.727 0.455 CA 0.928 12 residues pruned to eliminate duplicates Z: 17 13.232 1.601 0.368 0.817 0.938 0.750 CB 1.224 17 residues pruned to eliminate duplicates Z: 6 3.253 1.527 0.788 0.296 0.800 0.400 CB 0.837 6 residues pruned to eliminate duplicates Z: 26 10.813 1.691 0.527 0.403 0.800 0.520 CB 1.159 21 residues pruned to eliminate duplicates Z: 11 4.746 1.680 0.003 0.645 0.800 0.600 N 0.973 11 residues pruned to eliminate duplicates Z: 6 2.098 1.383 0.827 0.441 0.800 0.600 CA 0.493 Z: 9 11.534 1.842 0.723 0.687 0.875 0.625 CA 1.238 9 residues pruned to eliminate duplicates Z: 18 8.453 1.645 0.344 0.470 0.882 0.647 CB 1.084 16 residues pruned to eliminate duplicates Z: 17 9.168 1.691 0.574 0.554 0.750 0.625 CB 1.090 Z: 11 8.773 1.591 0.529 0.757 0.800 0.500 CB 1.134 11 residues pruned to eliminate duplicates Z: 14 7.326 1.528 0.404 0.693 0.692 0.615 CB 1.146 14 residues pruned to eliminate duplicates Z: 11 5.251 1.538 0.488 0.487 0.600 0.500 N 1.226 11 residues pruned to eliminate duplicates Z: 7 3.571 1.529 0.181 0.816 0.833 0.667 N 0.736 Z: 6 6.518 1.584 0.258 0.793 1.000 0.600 N 1.132 Z: 10 5.998 1.541 0.451 0.638 0.889 0.889 CA 0.883 10 residues pruned to eliminate duplicates Z: 7 4.048 1.675 -0.116 0.597 1.000 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 9 11.173 1.500 0.701 0.828 0.875 0.625 CA 1.332 7 residues pruned to eliminate duplicates Z: 6 3.761 1.496 0.214 0.654 0.800 0.800 CB 1.003 Z: 11 14.195 1.730 0.588 0.870 1.000 1.000 CA 1.192 11 residues pruned to eliminate duplicates Z: 7 5.386 1.605 0.045 0.819 1.000 0.833 CB 0.994 Z: 9 6.155 1.565 0.574 0.495 1.000 0.625 CB 0.888 Z: 10 20.500 1.778 1.161 0.849 1.000 0.889 CB 1.319 10 residues pruned to eliminate duplicates Z: 10 8.355 1.783 0.125 0.820 1.000 0.778 CB 1.052 10 residues pruned to eliminate duplicates Z: 9 4.066 1.448 0.077 0.644 1.000 0.625 N 0.805 7 residues pruned to eliminate duplicates Z: 17 9.623 1.565 0.301 0.511 0.938 0.438 CB 1.247 25 residues pruned to eliminate duplicates Z: 7 4.169 1.511 0.628 0.548 0.833 0.667 CA 0.792 7 residues pruned to eliminate duplicates Z: 7 4.505 1.419 0.943 0.582 1.000 0.667 CB 0.617 Z: 25 15.313 1.720 0.430 0.549 0.917 0.667 CA 1.322 25 residues pruned to eliminate duplicates Z: 7 3.161 1.472 0.306 0.437 0.833 0.167 N 0.860 Z: 13 9.946 1.532 0.722 0.729 0.917 0.583 CB 0.966 13 residues pruned to eliminate duplicates Z: 15 14.668 1.710 0.604 0.711 0.929 0.714 CB 1.271 15 residues pruned to eliminate duplicates Z: 18 7.229 1.652 0.220 0.443 0.765 0.588 CB 1.206 16 residues pruned to eliminate duplicates Z: 11 10.555 1.689 0.646 0.884 0.900 0.500 CB 0.965 11 residues pruned to eliminate duplicates Z: 11 6.367 1.532 0.410 0.655 0.800 0.400 CB 1.009 9 residues pruned to eliminate duplicates Z: 8 4.836 1.508 0.819 0.462 0.857 0.571 CB 0.808 Z: 7 8.342 1.785 0.326 0.877 1.000 1.000 CA 1.045 7 residues pruned to eliminate duplicates Z: 25 16.757 1.728 0.495 0.596 0.917 0.667 CA 1.318 25 residues pruned to eliminate duplicates Z: 11 6.851 1.481 0.616 0.849 1.000 0.400 CB 0.671 11 residues pruned to eliminate duplicates Z: 11 5.251 1.554 0.470 0.275 0.900 0.600 CB 1.042 Z: 9 8.919 1.914 0.535 0.606 0.750 0.625 CB 1.295 9 residues pruned to eliminate duplicates Z: 10 7.896 1.455 0.312 0.874 1.000 0.889 CB 1.004 10 residues pruned to eliminate duplicates Z: 22 10.132 1.491 0.423 0.479 0.857 0.571 CB 1.242 Z: 14 10.196 1.580 0.439 0.717 0.923 0.846 CA 1.107 12 residues pruned to eliminate duplicates Z: 17 14.567 1.869 0.548 0.572 0.812 0.625 CB 1.446 17 residues pruned to eliminate duplicates 7 1.715 1.305 0.314 0.325 0.833 0.667 CB 0.594 ? Z: 8 7.050 1.526 0.347 0.900 0.857 0.857 CB 1.080 8 residues pruned to eliminate duplicates Z: 13 6.843 1.717 0.273 0.440 1.000 0.583 CB 0.961 Z: 9 10.301 1.696 0.849 0.780 0.875 0.875 CA 1.038 8 residues pruned to eliminate duplicates Z: 14 9.619 1.609 0.473 0.582 1.000 0.769 N 1.040 14 residues pruned to eliminate duplicates Z: 15 12.188 1.721 0.513 0.571 0.857 0.714 CA 1.363 19 residues pruned to eliminate duplicates Z: 14 19.665 1.778 0.758 0.821 0.923 0.692 CA 1.431 13 residues pruned to eliminate duplicates Z: 8 3.291 1.354 0.567 0.210 0.714 0.429 CA 1.156 Z: 7 6.209 1.474 1.046 0.357 1.000 0.667 CB 0.980 Z: 11 18.087 1.768 0.950 0.688 1.000 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 6 5.383 1.668 0.205 0.606 0.800 0.600 CA 1.354 Z: 10 4.136 1.551 0.327 0.384 0.778 0.444 CB 0.975 Z: 8 5.906 1.510 0.233 0.714 1.000 0.857 CB 0.987 7 residues pruned to eliminate duplicates Z: 8 3.427 1.299 0.298 0.426 0.857 0.714 CB 0.967 Z: 14 11.131 1.651 0.542 0.644 0.923 0.692 CB 1.148 16 residues pruned to eliminate duplicates Z: 15 4.094 1.444 0.292 0.225 0.786 0.429 N 1.028 15 residues pruned to eliminate duplicates Z: 19 11.303 1.727 0.608 0.559 0.778 0.722 CA 1.164 19 residues pruned to eliminate duplicates Z: 11 9.006 1.518 0.502 0.839 0.900 0.800 CB 1.036 11 residues pruned to eliminate duplicates Z: 14 9.172 1.477 0.455 0.858 0.923 0.615 CA 0.944 14 residues pruned to eliminate duplicates Z: 9 3.987 1.518 0.209 0.489 0.625 0.625 N 1.242 9 residues pruned to eliminate duplicates Z: 17 8.283 1.548 0.619 0.485 0.938 0.688 CB 0.895 7 residues pruned to eliminate duplicates Z: 8 4.229 1.436 0.433 0.836 0.857 0.714 CB 0.678 8 residues pruned to eliminate duplicates Z: 7 3.938 1.329 0.435 0.441 0.833 0.500 CB 1.075 Z: 6 2.308 1.569 -0.066 0.377 0.800 0.600 CB 1.004 6 residues pruned to eliminate duplicates Z: 9 4.068 1.344 0.695 0.462 0.875 0.625 CB 0.750 6 1.971 1.289 0.427 0.417 0.600 0.400 C 0.870 ? Z: 11 4.863 1.603 0.520 0.488 0.600 0.500 CB 1.064 11 residues pruned to eliminate duplicates Z: 13 9.461 1.605 0.234 0.851 0.917 0.583 CB 1.113 15 residues pruned to eliminate duplicates Z: 7 9.878 1.919 0.520 0.903 1.000 0.833 CB 0.985 7 residues pruned to eliminate duplicates Z: 41 21.386 1.654 0.694 0.557 0.900 0.550 N 1.268 41 residues pruned to eliminate duplicates Z: 8 6.583 1.580 0.349 0.579 0.857 0.714 CB 1.261 8 residues pruned to eliminate duplicates Z: 33 10.748 1.695 0.368 0.390 0.750 0.469 CB 1.228 33 residues pruned to eliminate duplicates Z: 9 5.546 1.572 0.176 0.346 1.000 0.500 CB 1.254 Z: 10 7.945 1.571 0.604 0.478 0.778 0.667 CB 1.382 8 residues pruned to eliminate duplicates Z: 12 15.088 1.616 0.779 0.868 0.909 0.909 CB 1.273 12 residues pruned to eliminate duplicates 6 1.251 0.992 0.216 0.364 0.800 0.400 CA 0.670 ? Z: 19 13.938 1.740 0.682 0.541 1.000 0.722 CA 1.078 19 residues pruned to eliminate duplicates Z: 7 5.136 1.551 0.181 0.662 1.000 0.667 CB 0.985 4 residues pruned to eliminate duplicates 6 1.292 1.258 0.142 0.100 1.000 0.200 CA 0.670 ? Using tripeptides from previous cycle as seeds Z: 15 9.864 1.668 0.635 0.510 0.857 0.571 CB 1.116 10 residues pruned to eliminate duplicates Z: 7 5.680 1.618 0.297 0.478 1.000 0.500 N 1.129 7 residues pruned to eliminate duplicates Z: 12 6.419 1.489 0.648 0.460 1.000 0.636 N 0.822 12 residues pruned to eliminate duplicates Z: 11 5.012 1.555 0.377 0.313 0.800 0.600 N 1.138 11 residues pruned to eliminate duplicates Z: 13 8.061 1.488 0.627 0.429 1.000 0.500 CA 1.034 13 residues pruned to eliminate duplicates Z: 13 9.901 1.555 0.772 0.556 0.917 0.750 CB 1.071 13 residues pruned to eliminate duplicates Z: 22 10.359 1.639 0.344 0.459 0.905 0.571 N 1.184 22 residues pruned to eliminate duplicates Z: 15 10.672 1.677 0.518 0.506 0.929 0.571 CB 1.199 15 residues pruned to eliminate duplicates Z: 17 11.453 1.661 0.528 0.522 0.938 0.625 CA 1.177 17 residues pruned to eliminate duplicates Z: 16 11.766 1.646 0.526 0.588 0.867 0.733 CA 1.283 16 residues pruned to eliminate duplicates Z: 18 12.254 1.591 0.600 0.550 1.000 0.588 CB 1.112 18 residues pruned to eliminate duplicates Z: 18 8.362 1.592 0.462 0.465 0.824 0.647 CB 1.096 18 residues pruned to eliminate duplicates Z: 21 7.447 1.593 0.270 0.410 0.750 0.500 CB 1.205 21 residues pruned to eliminate duplicates Z: 18 10.062 1.647 0.459 0.470 0.941 0.588 CB 1.113 18 residues pruned to eliminate duplicates Z: 9 10.614 1.559 0.931 0.689 0.875 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 7 10.229 1.769 0.866 0.655 1.000 0.667 CA 1.095 7 residues pruned to eliminate duplicates Z: 9 6.329 1.686 0.676 0.510 0.750 0.625 CB 1.046 9 residues pruned to eliminate duplicates Z: 9 9.415 1.601 0.709 0.657 0.875 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 11 7.941 1.707 0.590 0.556 0.700 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 9 9.990 1.632 0.921 0.647 0.875 0.750 CB 1.123 9 residues pruned to eliminate duplicates Z: 10 8.937 1.702 0.787 0.627 0.667 0.667 CB 1.302 10 residues pruned to eliminate duplicates Z: 11 9.650 1.724 0.869 0.572 0.700 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 7 6.161 1.562 0.197 0.652 1.000 0.667 CA 1.169 8 residues pruned to eliminate duplicates Z: 6 5.917 1.685 -0.076 0.873 1.000 1.000 CA 1.238 6 residues pruned to eliminate duplicates Z: 11 3.819 1.352 0.165 0.515 0.800 0.700 CB 0.944 11 residues pruned to eliminate duplicates Z: 9 4.689 1.703 0.060 0.363 0.875 0.500 CB 1.216 9 residues pruned to eliminate duplicates Z: 7 4.319 1.829 0.262 0.441 0.667 0.667 CB 1.218 12 residues pruned to eliminate duplicates Z: 6 5.000 1.249 1.107 0.394 1.000 0.600 CA 0.951 Z: 6 2.790 1.406 0.997 0.408 1.000 0.800 CA 0.490 5 residues pruned to eliminate duplicates Z: 6 3.443 1.445 0.575 0.263 0.800 0.400 CB 1.109 Z: 6 3.264 1.323 0.737 0.443 0.800 0.800 CA 0.842 6 residues pruned to eliminate duplicates Z: 11 8.873 1.652 0.765 0.551 0.800 0.600 CB 1.144 10 residues pruned to eliminate duplicates Z: 15 12.931 1.598 0.552 0.754 1.000 0.786 N 1.112 16 residues pruned to eliminate duplicates Z: 14 13.508 1.676 0.520 0.775 1.000 0.769 CB 1.154 14 residues pruned to eliminate duplicates Z: 11 10.453 1.708 0.382 0.763 0.900 0.800 CB 1.232 11 residues pruned to eliminate duplicates Z: 21 10.105 1.778 0.338 0.638 0.800 0.500 CB 1.043 21 residues pruned to eliminate duplicates Z: 29 14.780 1.849 0.605 0.490 0.857 0.500 CB 1.109 29 residues pruned to eliminate duplicates Z: 10 7.434 1.785 0.505 0.678 1.000 0.778 CB 0.783 10 residues pruned to eliminate duplicates Z: 21 14.136 1.828 0.638 0.630 0.900 0.450 CB 1.039 21 residues pruned to eliminate duplicates Z: 19 10.943 1.745 0.627 0.540 0.944 0.556 CB 0.925 19 residues pruned to eliminate duplicates Z: 23 12.883 1.754 0.619 0.592 0.909 0.455 CB 0.974 23 residues pruned to eliminate duplicates Z: 20 12.112 1.909 0.548 0.658 0.842 0.526 CB 0.964 20 residues pruned to eliminate duplicates Z: 17 7.745 1.779 0.634 0.476 0.875 0.625 CB 0.780 17 residues pruned to eliminate duplicates Z: 20 12.995 1.866 0.455 0.644 0.895 0.526 CB 1.072 20 residues pruned to eliminate duplicates Z: 11 8.040 1.920 0.500 0.582 0.800 0.600 CB 1.020 11 residues pruned to eliminate duplicates Z: 10 9.616 1.953 0.472 0.689 0.889 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 16 5.487 1.652 0.187 0.353 0.733 0.400 CA 1.154 16 residues pruned to eliminate duplicates Z: 8 3.670 1.711 0.297 0.632 0.714 0.714 CB 0.773 8 residues pruned to eliminate duplicates Z: 43 19.342 1.769 0.837 0.424 0.905 0.595 CB 1.098 59 residues pruned to eliminate duplicates Z: 12 4.684 1.537 0.396 0.556 0.727 0.455 CB 0.857 12 residues pruned to eliminate duplicates Z: 17 7.666 1.764 0.411 0.341 0.812 0.625 CB 1.127 17 residues pruned to eliminate duplicates Z: 15 4.348 1.672 0.467 0.213 0.571 0.429 CA 1.164 15 residues pruned to eliminate duplicates Z: 8 3.946 1.678 0.129 0.203 1.000 0.286 CB 1.120 8 residues pruned to eliminate duplicates Z: 31 10.856 1.779 0.610 0.417 0.800 0.467 CB 0.944 31 residues pruned to eliminate duplicates Z: 14 5.637 1.609 0.799 0.178 0.769 0.385 CB 1.036 14 residues pruned to eliminate duplicates Z: 15 6.127 1.685 0.961 0.181 0.714 0.357 CB 1.019 15 residues pruned to eliminate duplicates Z: 8 4.560 1.648 1.129 0.317 0.857 0.286 CA 0.702 8 residues pruned to eliminate duplicates Z: 9 6.938 1.642 0.973 0.393 1.000 0.375 CB 0.849 9 residues pruned to eliminate duplicates Z: 9 8.891 1.650 1.191 0.399 1.000 0.500 CA 0.968 9 residues pruned to eliminate duplicates Z: 26 16.239 1.757 0.866 0.488 0.920 0.680 CB 1.090 26 residues pruned to eliminate duplicates Z: 10 5.862 1.735 0.883 0.323 0.667 0.444 CA 1.090 10 residues pruned to eliminate duplicates Z: 12 6.311 1.743 0.791 0.242 0.818 0.364 CA 1.004 12 residues pruned to eliminate duplicates Z: 19 16.071 1.871 0.628 0.550 0.944 0.722 CA 1.253 19 residues pruned to eliminate duplicates Z: 19 12.187 1.850 0.507 0.511 0.833 0.778 CA 1.223 19 residues pruned to eliminate duplicates Z: 27 14.155 1.764 0.761 0.443 0.846 0.692 CA 1.121 27 residues pruned to eliminate duplicates Z: 18 12.445 1.745 0.500 0.485 0.882 0.647 CA 1.327 18 residues pruned to eliminate duplicates Z: 18 13.913 1.834 0.741 0.524 0.941 0.647 CA 1.096 18 residues pruned to eliminate duplicates Z: 16 11.987 1.819 0.586 0.531 0.867 0.600 CA 1.201 16 residues pruned to eliminate duplicates Z: 23 13.022 1.783 0.690 0.402 0.909 0.682 CA 1.124 23 residues pruned to eliminate duplicates Z: 19 11.788 1.773 0.666 0.434 0.833 0.556 CB 1.209 19 residues pruned to eliminate duplicates Z: 13 9.786 1.817 0.526 0.418 0.833 0.500 CB 1.331 13 residues pruned to eliminate duplicates Z: 27 13.407 1.801 0.761 0.396 0.808 0.692 CA 1.145 27 residues pruned to eliminate duplicates Z: 16 13.966 1.833 0.693 0.475 0.867 0.667 CB 1.376 16 residues pruned to eliminate duplicates Z: 17 14.755 1.868 0.661 0.567 0.938 0.875 CA 1.188 17 residues pruned to eliminate duplicates Z: 19 17.722 1.844 0.873 0.545 0.944 0.833 CA 1.226 19 residues pruned to eliminate duplicates Z: 21 12.188 1.771 0.512 0.532 0.900 0.700 CA 1.096 21 residues pruned to eliminate duplicates Z: 30 14.196 1.677 0.900 0.413 0.862 0.483 CA 1.051 30 residues pruned to eliminate duplicates Z: 23 16.891 1.729 0.648 0.737 0.909 0.818 CB 1.124 23 residues pruned to eliminate duplicates Z: 26 17.221 1.681 0.751 0.631 0.920 0.680 CB 1.125 26 residues pruned to eliminate duplicates Z: 23 18.374 1.774 0.718 0.719 0.864 0.636 CB 1.220 23 residues pruned to eliminate duplicates Z: 52 20.928 1.734 0.704 0.479 0.863 0.608 CA 1.174 54 residues pruned to eliminate duplicates Z: 14 15.313 1.564 0.882 0.922 1.000 0.615 CB 1.015 14 residues pruned to eliminate duplicates Z: 7 3.777 1.439 0.531 0.541 0.833 0.333 CB 0.807 7 residues pruned to eliminate duplicates Z: 26 18.514 1.753 0.738 0.715 0.960 0.760 CB 1.042 26 residues pruned to eliminate duplicates Z: 6 4.433 1.532 0.827 0.684 0.800 0.400 CB 0.748 6 residues pruned to eliminate duplicates Z: 36 11.473 1.632 0.505 0.382 0.857 0.457 CB 1.044 36 residues pruned to eliminate duplicates Z: 14 12.100 1.674 0.566 0.618 1.000 0.692 CB 1.145 14 residues pruned to eliminate duplicates Z: 14 9.963 1.589 0.698 0.562 0.923 0.308 CB 1.045 14 residues pruned to eliminate duplicates Z: 16 9.014 1.597 0.556 0.505 0.867 0.533 CB 1.075 16 residues pruned to eliminate duplicates Z: 7 5.720 1.763 0.397 0.526 0.833 0.500 CB 1.109 7 residues pruned to eliminate duplicates Z: 9 4.761 1.775 0.148 0.431 0.750 0.625 CA 1.183 9 residues pruned to eliminate duplicates Z: 8 10.076 1.784 0.501 0.599 1.000 0.857 CA 1.294 8 residues pruned to eliminate duplicates Z: 10 9.708 1.730 0.407 0.614 0.889 0.556 CA 1.343 10 residues pruned to eliminate duplicates Z: 19 12.357 1.711 0.500 0.580 0.889 0.611 CB 1.182 19 residues pruned to eliminate duplicates Z: 25 10.913 1.663 0.418 0.594 0.792 0.542 CB 1.090 25 residues pruned to eliminate duplicates Z: 14 6.545 1.651 0.337 0.383 0.923 0.462 CB 1.009 8 residues pruned to eliminate duplicates Z: 11 8.134 1.546 0.747 0.749 0.800 0.500 CA 0.953 11 residues pruned to eliminate duplicates Z: 14 8.543 1.702 0.454 0.431 0.923 0.385 CB 1.115 14 residues pruned to eliminate duplicates Z: 13 9.214 1.667 0.379 0.472 1.000 0.583 CA 1.190 13 residues pruned to eliminate duplicates Z: 12 9.136 1.731 0.373 0.524 1.000 0.364 CA 1.132 16 residues pruned to eliminate duplicates Z: 16 7.987 1.636 0.804 0.693 0.800 0.400 CB 0.732 16 residues pruned to eliminate duplicates Z: 14 5.639 1.439 0.530 0.265 0.846 0.615 CB 1.098 5 residues pruned to eliminate duplicates Z: 18 15.483 1.763 0.598 0.745 0.882 0.706 CA 1.214 18 residues pruned to eliminate duplicates Z: 26 14.297 1.777 0.472 0.520 0.920 0.640 CA 1.165 37 residues pruned to eliminate duplicates Z: 6 3.711 1.641 0.011 0.358 1.000 0.400 CA 1.166 6 residues pruned to eliminate duplicates Z: 11 9.892 1.928 0.239 0.396 1.000 0.700 CA 1.462 11 residues pruned to eliminate duplicates Z: 28 12.577 1.769 0.309 0.435 0.815 0.556 N 1.372 31 residues pruned to eliminate duplicates Z: 9 9.971 1.675 0.567 0.668 1.000 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 15 10.529 1.744 0.413 0.413 0.929 0.786 CA 1.347 15 residues pruned to eliminate duplicates Z: 35 16.512 1.712 0.596 0.507 0.912 0.618 CB 1.129 40 residues pruned to eliminate duplicates Z: 9 10.103 1.754 0.566 0.760 0.875 0.750 CB 1.179 14 residues pruned to eliminate duplicates Z: 9 9.523 1.704 0.405 0.729 1.000 0.625 CB 1.144 9 residues pruned to eliminate duplicates Z: 31 13.366 1.662 0.612 0.448 0.867 0.633 CB 1.108 31 residues pruned to eliminate duplicates Z: 28 14.345 1.705 0.685 0.470 0.889 0.630 CA 1.115 28 residues pruned to eliminate duplicates Z: 17 11.214 1.774 0.451 0.484 0.938 0.688 CB 1.181 17 residues pruned to eliminate duplicates Z: 15 10.440 1.684 0.621 0.397 0.857 0.643 CB 1.329 15 residues pruned to eliminate duplicates Z: 23 13.271 1.708 0.613 0.508 0.864 0.500 CB 1.180 33 residues pruned to eliminate duplicates Z: 8 4.624 1.485 0.642 0.521 0.714 0.143 CB 0.983 8 residues pruned to eliminate duplicates Z: 36 15.568 1.676 0.594 0.519 0.886 0.486 CB 1.091 36 residues pruned to eliminate duplicates Z: 7 4.643 1.439 0.293 0.806 0.833 0.667 CA 0.936 7 residues pruned to eliminate duplicates Z: 23 12.484 1.718 0.510 0.542 0.955 0.727 CA 1.032 23 residues pruned to eliminate duplicates Z: 59 21.943 1.781 0.543 0.472 0.897 0.707 CB 1.203 59 residues pruned to eliminate duplicates Z: 6 5.010 1.745 0.458 0.659 0.800 0.800 CA 0.950 6 residues pruned to eliminate duplicates Z: 7 4.108 1.686 0.201 0.609 0.833 0.500 CA 0.896 7 residues pruned to eliminate duplicates Z: 39 20.807 1.821 0.587 0.536 0.868 0.632 CB 1.299 40 residues pruned to eliminate duplicates Z: 17 10.066 1.492 0.467 0.730 0.938 0.625 CA 0.997 17 residues pruned to eliminate duplicates Z: 34 19.926 1.846 0.604 0.541 0.939 0.697 CB 1.198 34 residues pruned to eliminate duplicates Z: 37 16.862 1.848 0.537 0.522 0.861 0.611 CB 1.124 37 residues pruned to eliminate duplicates Z: 20 11.319 1.761 0.518 0.590 0.842 0.526 CA 1.059 20 residues pruned to eliminate duplicates Z: 37 19.539 1.861 0.459 0.533 0.917 0.556 CB 1.267 37 residues pruned to eliminate duplicates Z: 36 20.937 1.827 0.600 0.573 0.886 0.657 CB 1.273 36 residues pruned to eliminate duplicates Z: 20 12.117 1.744 0.525 0.471 0.947 0.632 CA 1.137 20 residues pruned to eliminate duplicates Z: 19 9.808 1.794 0.308 0.509 0.944 0.611 CA 1.035 19 residues pruned to eliminate duplicates Z: 22 11.570 1.789 0.486 0.443 0.857 0.524 CA 1.176 22 residues pruned to eliminate duplicates Z: 19 9.068 1.791 0.383 0.488 0.889 0.444 CA 0.982 19 residues pruned to eliminate duplicates Z: 21 8.431 1.723 0.415 0.492 0.850 0.600 CA 0.917 21 residues pruned to eliminate duplicates Z: 19 13.358 1.774 0.544 0.577 0.944 0.556 CA 1.130 19 residues pruned to eliminate duplicates Z: 26 11.071 1.657 0.407 0.425 0.920 0.520 CA 1.116 26 residues pruned to eliminate duplicates Z: 30 10.933 1.632 0.444 0.382 0.862 0.517 CB 1.133 30 residues pruned to eliminate duplicates Z: 37 23.524 1.821 0.644 0.597 0.944 0.750 CB 1.264 35 residues pruned to eliminate duplicates Z: 6 3.331 1.654 0.520 0.297 0.800 0.600 CA 0.929 6 residues pruned to eliminate duplicates Z: 19 12.872 1.776 0.599 0.567 0.722 0.611 N 1.386 20 residues pruned to eliminate duplicates Z: 7 3.810 1.321 0.395 0.437 0.833 0.667 CA 1.080 Z: 7 4.901 1.411 0.810 0.525 0.667 0.500 O 1.147 Z: 14 13.334 1.710 0.689 0.688 0.923 0.615 CB 1.167 14 residues pruned to eliminate duplicates Z: 23 18.400 1.840 0.737 0.641 0.909 0.682 CB 1.183 24 residues pruned to eliminate duplicates Z: 13 9.309 1.596 0.567 0.751 0.917 0.667 CB 0.937 13 residues pruned to eliminate duplicates Z: 30 18.968 1.777 0.688 0.586 0.897 0.448 CB 1.206 30 residues pruned to eliminate duplicates Z: 10 10.256 1.713 0.678 0.612 0.889 0.667 CB 1.203 10 residues pruned to eliminate duplicates Z: 26 18.531 1.802 0.701 0.608 0.880 0.680 CB 1.240 26 residues pruned to eliminate duplicates Z: 25 23.122 1.812 0.730 0.644 0.958 0.750 CB 1.373 22 residues pruned to eliminate duplicates Z: 12 20.197 1.774 0.983 0.845 1.000 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 12 18.499 1.756 0.869 0.837 1.000 0.909 CA 1.271 12 residues pruned to eliminate duplicates Z: 29 18.925 1.789 0.531 0.662 0.929 0.714 CB 1.210 29 residues pruned to eliminate duplicates Z: 12 18.390 1.758 0.932 0.842 1.000 0.818 CA 1.217 12 residues pruned to eliminate duplicates Z: 20 13.512 1.594 0.900 0.572 0.842 0.737 CB 1.134 20 residues pruned to eliminate duplicates Z: 23 15.705 1.753 0.716 0.679 0.909 0.591 CB 1.039 23 residues pruned to eliminate duplicates Z: 20 12.796 1.713 0.578 0.642 0.895 0.526 CB 1.063 20 residues pruned to eliminate duplicates Z: 24 13.971 1.718 0.505 0.650 0.913 0.652 CB 1.073 24 residues pruned to eliminate duplicates Z: 12 10.599 1.848 0.587 0.582 0.818 0.455 CB 1.230 12 residues pruned to eliminate duplicates Z: 12 6.113 1.779 0.606 0.634 0.818 0.364 CB 0.695 12 residues pruned to eliminate duplicates Z: 9 4.779 1.683 0.193 0.697 0.875 0.250 CB 0.803 9 residues pruned to eliminate duplicates Z: 14 10.317 1.783 0.550 0.560 0.923 0.462 CB 1.058 14 residues pruned to eliminate duplicates Z: 11 5.265 1.801 0.234 0.651 0.800 0.500 CB 0.813 11 residues pruned to eliminate duplicates Z: 11 8.652 1.818 0.575 0.658 0.800 0.400 CB 1.032 11 residues pruned to eliminate duplicates Z: 11 6.382 1.725 0.296 0.605 0.900 0.600 CB 0.908 11 residues pruned to eliminate duplicates Z: 10 9.649 1.793 0.570 0.754 0.889 0.667 CB 1.025 10 residues pruned to eliminate duplicates Z: 10 5.408 1.781 0.456 0.476 0.667 0.667 CB 1.068 10 residues pruned to eliminate duplicates Z: 15 14.741 1.762 0.812 0.481 0.929 0.714 CA 1.356 14 residues pruned to eliminate duplicates 6 1.986 1.127 0.462 0.448 1.000 0.600 O 0.569 ? Z: 10 4.257 1.186 0.337 0.474 0.889 0.556 N 1.034 8 residues pruned to eliminate duplicates Z: 6 2.929 1.384 0.759 0.450 1.000 0.800 CA 0.566 6 residues pruned to eliminate duplicates Z: 9 4.046 1.706 0.700 0.171 0.625 0.250 N 1.176 8 residues pruned to eliminate duplicates Z: 8 2.359 1.200 0.575 0.355 0.857 0.714 CB 0.643 8 residues pruned to eliminate duplicates Z: 13 6.903 1.802 0.506 0.329 0.833 0.500 CB 1.063 13 residues pruned to eliminate duplicates Z: 8 2.647 1.822 0.677 0.071 0.714 0.571 CB 0.802 8 residues pruned to eliminate duplicates Z: 14 8.639 1.801 0.484 0.302 0.923 0.615 CA 1.211 14 residues pruned to eliminate duplicates 6 0.434 1.082 0.475 0.431 1.000 0.600 CA 0.131 ? Z: 10 5.568 1.428 0.623 0.586 1.000 0.222 CB 0.738 5 residues pruned to eliminate duplicates 6 1.338 1.577 0.287 0.317 0.600 0.200 CB 0.601 ? Z: 8 4.898 1.323 0.710 0.820 1.000 0.714 CB 0.620 8 residues pruned to eliminate duplicates 6 1.985 1.461 0.449 0.464 0.800 0.400 CB 0.544 ? Z: 13 3.877 1.487 0.362 0.350 0.833 0.500 CB 0.780 13 residues pruned to eliminate duplicates Z: 10 5.048 1.529 0.500 0.474 0.778 0.444 CB 0.968 10 residues pruned to eliminate duplicates Z: 9 7.364 1.526 0.828 0.626 1.000 0.875 CB 0.829 9 residues pruned to eliminate duplicates Z: 9 5.743 1.474 0.575 0.713 0.875 0.625 CB 0.824 9 residues pruned to eliminate duplicates Z: 15 6.208 1.561 0.628 0.611 0.929 0.500 CB 0.633 15 residues pruned to eliminate duplicates Z: 7 4.869 1.716 0.526 0.258 0.833 0.500 CB 1.201 7 residues pruned to eliminate duplicates Z: 8 5.640 1.624 0.573 0.391 1.000 0.571 CB 0.937 8 residues pruned to eliminate duplicates Z: 9 7.508 1.618 0.497 0.651 1.000 0.625 CB 0.952 9 residues pruned to eliminate duplicates Z: 28 15.269 1.674 0.465 0.599 0.963 0.556 CB 1.133 28 residues pruned to eliminate duplicates Z: 10 7.924 1.550 0.518 0.588 1.000 0.667 CB 1.032 10 residues pruned to eliminate duplicates Z: 14 5.368 1.568 0.491 0.388 0.923 0.692 CB 0.776 14 residues pruned to eliminate duplicates Z: 26 15.649 1.639 0.761 0.538 0.920 0.680 CB 1.136 26 residues pruned to eliminate duplicates Z: 20 14.085 1.611 0.716 0.558 0.842 0.579 CB 1.311 20 residues pruned to eliminate duplicates Z: 20 10.919 1.678 0.545 0.505 0.789 0.421 CB 1.218 20 residues pruned to eliminate duplicates Z: 21 12.650 1.686 0.462 0.636 0.800 0.450 CB 1.262 21 residues pruned to eliminate duplicates Z: 18 12.164 1.660 0.536 0.586 0.882 0.588 CB 1.208 18 residues pruned to eliminate duplicates Z: 12 13.958 1.779 0.507 0.670 1.000 0.727 CB 1.342 12 residues pruned to eliminate duplicates Z: 21 12.875 1.687 0.593 0.569 0.900 0.550 CB 1.113 21 residues pruned to eliminate duplicates Z: 22 13.825 1.659 0.653 0.526 0.952 0.667 CB 1.126 22 residues pruned to eliminate duplicates Z: 18 14.486 1.699 0.710 0.565 0.882 0.529 CB 1.287 18 residues pruned to eliminate duplicates Z: 15 13.972 1.771 0.829 0.654 0.714 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 17 15.023 1.658 0.614 0.627 0.875 0.500 CB 1.422 17 residues pruned to eliminate duplicates Z: 14 18.116 1.820 0.599 0.729 1.000 0.538 CA 1.405 14 residues pruned to eliminate duplicates Z: 27 12.595 1.682 0.529 0.501 0.808 0.385 CB 1.187 27 residues pruned to eliminate duplicates Z: 21 13.730 1.729 0.549 0.564 0.850 0.400 CB 1.267 21 residues pruned to eliminate duplicates Z: 32 21.375 1.808 0.563 0.568 0.903 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 33 20.361 1.832 0.476 0.529 0.906 0.469 CB 1.427 33 residues pruned to eliminate duplicates Z: 36 22.200 1.795 0.560 0.499 0.943 0.543 CB 1.422 36 residues pruned to eliminate duplicates Z: 6 3.114 1.171 0.549 0.456 1.000 0.600 O 0.803 6 residues pruned to eliminate duplicates Z: 17 13.545 1.814 0.426 0.528 0.938 0.688 CA 1.358 17 residues pruned to eliminate duplicates Z: 32 25.194 1.842 0.632 0.568 0.968 0.774 CB 1.456 32 residues pruned to eliminate duplicates Z: 6 6.085 1.652 0.777 0.475 1.000 0.800 CA 0.951 6 residues pruned to eliminate duplicates Z: 11 2.133 1.547 0.616 0.124 0.700 0.300 CA 0.618 11 residues pruned to eliminate duplicates Z: 41 21.573 1.748 0.573 0.560 0.925 0.625 CB 1.266 41 residues pruned to eliminate duplicates Z: 33 21.573 1.806 0.599 0.544 0.906 0.562 CB 1.397 33 residues pruned to eliminate duplicates Z: 38 21.214 1.780 0.629 0.539 0.892 0.595 CB 1.298 38 residues pruned to eliminate duplicates Z: 13 8.866 1.627 0.696 0.683 0.917 0.750 CB 0.855 14 residues pruned to eliminate duplicates Z: 10 8.266 1.617 0.518 0.807 0.889 0.556 CA 0.966 10 residues pruned to eliminate duplicates Z: 13 5.958 1.500 0.536 0.441 0.917 0.500 CB 0.866 13 residues pruned to eliminate duplicates Z: 15 4.858 1.633 0.460 0.453 0.786 0.500 CB 0.727 15 residues pruned to eliminate duplicates Z: 8 4.526 1.478 0.866 0.368 0.714 0.286 CA 1.000 Z: 14 14.488 1.625 0.615 0.790 1.000 0.615 N 1.187 27 residues pruned to eliminate duplicates Z: 18 10.858 1.634 0.783 0.776 0.765 0.412 N 0.926 22 residues pruned to eliminate duplicates Z: 12 12.998 1.670 0.617 0.824 1.000 0.636 N 1.096 12 residues pruned to eliminate duplicates Z: 13 12.602 1.733 0.820 0.697 0.833 0.417 CA 1.156 13 residues pruned to eliminate duplicates Z: 25 13.356 1.607 0.826 0.468 0.792 0.333 CB 1.212 16 residues pruned to eliminate duplicates Z: 13 13.250 1.643 0.536 0.804 1.000 0.583 N 1.162 13 residues pruned to eliminate duplicates Z: 12 6.803 1.554 0.753 0.527 0.727 0.273 CB 1.008 12 residues pruned to eliminate duplicates Z: 10 9.518 1.623 0.716 0.608 0.889 0.444 CA 1.157 10 residues pruned to eliminate duplicates Z: 9 8.201 1.721 0.808 0.502 0.750 0.375 N 1.240 9 residues pruned to eliminate duplicates Z: 9 9.969 1.703 0.842 0.703 0.750 0.375 N 1.245 9 residues pruned to eliminate duplicates Z: 9 10.803 1.696 0.707 0.731 0.875 0.625 N 1.225 19 residues pruned to eliminate duplicates Z: 23 12.232 1.548 0.849 0.799 0.818 0.364 CB 0.857 23 residues pruned to eliminate duplicates Z: 24 15.357 1.762 0.723 0.457 0.826 0.652 CB 1.334 33 residues pruned to eliminate duplicates Z: 12 9.051 1.774 0.419 0.511 1.000 0.727 CB 1.073 Z: 7 3.650 1.256 0.778 0.357 0.833 0.667 CB 0.934 6 residues pruned to eliminate duplicates Z: 10 8.230 1.593 0.245 0.756 1.000 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 49 14.814 1.650 0.484 0.415 0.854 0.500 CB 1.118 107 residues pruned to eliminate duplicates Z: 13 7.129 1.476 0.151 0.861 0.917 0.750 CB 0.971 Z: 15 10.465 1.562 0.362 0.857 0.929 0.714 N 1.043 13 residues pruned to eliminate duplicates Z: 10 11.263 1.624 0.449 0.830 1.000 1.000 CB 1.200 10 residues pruned to eliminate duplicates Z: 17 12.001 1.678 0.398 0.662 1.000 0.625 CB 1.101 20 residues pruned to eliminate duplicates Z: 13 13.632 1.689 0.521 0.911 1.000 0.833 CB 1.085 13 residues pruned to eliminate duplicates Z: 10 4.569 1.526 0.523 0.646 0.667 0.556 N 0.857 10 residues pruned to eliminate duplicates Z: 22 14.800 1.684 0.545 0.617 0.952 0.667 CB 1.167 22 residues pruned to eliminate duplicates Z: 13 11.244 1.543 0.747 0.800 0.917 0.583 N 1.010 13 residues pruned to eliminate duplicates Z: 24 14.323 1.685 0.586 0.621 0.870 0.391 CB 1.146 22 residues pruned to eliminate duplicates Z: 14 16.006 1.680 0.536 0.878 1.000 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 22 12.703 1.646 0.609 0.515 0.952 0.524 CB 1.083 22 residues pruned to eliminate duplicates Z: 17 12.518 1.649 0.520 0.696 0.938 0.625 N 1.113 17 residues pruned to eliminate duplicates Z: 22 13.064 1.645 0.655 0.541 0.952 0.476 CB 1.057 23 residues pruned to eliminate duplicates Z: 21 17.207 1.603 0.546 0.782 1.000 0.700 CB 1.211 24 residues pruned to eliminate duplicates Z: 8 8.707 1.569 0.521 0.818 1.000 0.714 CA 1.046 9 residues pruned to eliminate duplicates Z: 7 5.592 1.587 0.327 0.789 0.833 0.667 CB 1.009 7 residues pruned to eliminate duplicates Z: 23 14.862 1.643 0.538 0.611 0.955 0.591 CB 1.183 23 residues pruned to eliminate duplicates Z: 21 16.038 1.678 0.625 0.678 0.900 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 12 10.516 1.718 0.745 0.617 0.818 0.364 N 1.157 7 residues pruned to eliminate duplicates Z: 12 12.827 1.760 0.554 0.660 0.909 0.273 N 1.342 12 residues pruned to eliminate duplicates Z: 11 13.239 1.757 0.587 0.785 0.900 0.700 N 1.298 8 residues pruned to eliminate duplicates Z: 15 10.509 1.562 0.495 0.751 0.857 0.429 CB 1.122 13 residues pruned to eliminate duplicates Z: 11 12.244 1.732 0.547 0.699 1.000 0.600 CA 1.205 11 residues pruned to eliminate duplicates Z: 45 24.282 1.781 0.496 0.588 0.955 0.659 CA 1.323 30 residues pruned to eliminate duplicates Z: 16 14.142 1.659 0.576 0.789 0.933 0.533 N 1.160 16 residues pruned to eliminate duplicates Z: 14 13.248 1.816 0.682 0.472 0.923 0.538 CA 1.340 14 residues pruned to eliminate duplicates Z: 64 26.347 1.752 0.601 0.532 0.889 0.508 CB 1.290 60 residues pruned to eliminate duplicates Z: 18 12.388 1.687 0.719 0.641 0.706 0.529 N 1.287 18 residues pruned to eliminate duplicates Z: 31 19.582 1.823 0.560 0.488 0.933 0.533 CA 1.363 31 residues pruned to eliminate duplicates Z: 45 21.892 1.754 0.545 0.551 0.909 0.591 CB 1.275 45 residues pruned to eliminate duplicates Z: 21 7.800 1.706 0.298 0.410 0.800 0.450 CB 1.082 21 residues pruned to eliminate duplicates Z: 45 23.840 1.769 0.552 0.558 0.932 0.523 N 1.328 45 residues pruned to eliminate duplicates Z: 43 23.968 1.770 0.521 0.565 0.952 0.714 CA 1.355 43 residues pruned to eliminate duplicates Z: 18 11.287 1.836 0.408 0.471 0.882 0.647 CA 1.236 18 residues pruned to eliminate duplicates Z: 19 9.897 1.820 0.316 0.400 0.944 0.500 CB 1.146 19 residues pruned to eliminate duplicates Z: 55 26.140 1.792 0.460 0.567 0.926 0.611 CA 1.376 61 residues pruned to eliminate duplicates Z: 6 3.581 1.694 0.184 0.365 1.000 0.800 CA 0.923 6 residues pruned to eliminate duplicates Z: 28 17.629 1.847 0.603 0.473 0.926 0.519 CA 1.271 28 residues pruned to eliminate duplicates Z: 20 12.082 1.800 0.337 0.458 0.895 0.579 CA 1.344 20 residues pruned to eliminate duplicates Z: 12 5.192 1.550 0.428 0.281 0.818 0.455 CA 1.106 12 residues pruned to eliminate duplicates Z: 20 10.879 1.751 0.298 0.508 0.842 0.579 CA 1.294 20 residues pruned to eliminate duplicates Z: 41 21.335 1.789 0.530 0.496 0.900 0.550 CA 1.374 41 residues pruned to eliminate duplicates Z: 44 21.348 1.789 0.565 0.492 0.884 0.581 CA 1.326 44 residues pruned to eliminate duplicates Z: 23 11.357 1.696 0.564 0.437 0.818 0.500 CA 1.191 23 residues pruned to eliminate duplicates Z: 45 22.383 1.810 0.545 0.502 0.864 0.614 CA 1.394 45 residues pruned to eliminate duplicates Z: 43 22.639 1.837 0.470 0.581 0.881 0.690 CA 1.358 43 residues pruned to eliminate duplicates Z: 57 24.613 1.739 0.472 0.540 0.911 0.607 CA 1.357 57 residues pruned to eliminate duplicates Z: 23 11.365 1.502 0.532 0.541 0.818 0.591 CB 1.237 23 residues pruned to eliminate duplicates Z: 23 13.845 1.726 0.690 0.503 0.773 0.727 CA 1.306 23 residues pruned to eliminate duplicates Z: 31 18.357 1.728 0.556 0.554 0.933 0.733 CA 1.268 31 residues pruned to eliminate duplicates Z: 29 22.411 1.746 0.639 0.602 0.929 0.607 CA 1.446 29 residues pruned to eliminate duplicates Z: 11 14.940 1.777 0.705 0.749 0.900 0.900 N 1.387 11 residues pruned to eliminate duplicates Z: 15 12.235 1.589 0.804 0.617 0.786 0.714 CA 1.301 15 residues pruned to eliminate duplicates Z: 28 20.919 1.792 0.546 0.632 0.963 0.778 CA 1.333 28 residues pruned to eliminate duplicates Z: 24 24.519 1.876 0.647 0.714 0.913 0.826 CA 1.493 24 residues pruned to eliminate duplicates Z: 25 19.368 1.826 0.554 0.648 0.875 0.708 CA 1.387 25 residues pruned to eliminate duplicates Z: 24 26.093 1.887 0.691 0.703 0.913 0.696 CA 1.553 24 residues pruned to eliminate duplicates Z: 11 21.590 2.001 0.936 0.701 0.900 0.500 CB 1.631 11 residues pruned to eliminate duplicates Z: 12 21.806 1.977 0.670 0.774 1.000 0.727 CA 1.563 12 residues pruned to eliminate duplicates Z: 12 18.396 1.965 0.710 0.751 0.909 0.909 CB 1.451 12 residues pruned to eliminate duplicates Z: 12 17.539 1.909 0.781 0.816 0.818 0.545 CA 1.445 12 residues pruned to eliminate duplicates Z: 13 20.587 1.906 0.885 0.771 0.917 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 13 20.320 1.832 0.823 0.790 1.000 0.750 CA 1.362 13 residues pruned to eliminate duplicates Z: 14 17.213 1.917 0.647 0.716 0.846 0.615 CA 1.469 14 residues pruned to eliminate duplicates Z: 12 20.950 1.942 0.917 0.743 0.909 0.727 CA 1.502 12 residues pruned to eliminate duplicates Z: 11 20.564 1.951 0.766 0.830 1.000 0.900 CA 1.418 11 residues pruned to eliminate duplicates Z: 25 23.120 1.804 0.739 0.704 0.917 0.750 CA 1.363 26 residues pruned to eliminate duplicates Z: 12 21.910 1.882 0.790 0.836 1.000 0.909 CB 1.468 12 residues pruned to eliminate duplicates Z: 6 4.566 1.776 0.460 0.568 0.600 0.000 N 1.229 6 residues pruned to eliminate duplicates Z: 9 5.360 1.655 0.310 0.555 0.750 0.375 N 1.105 9 residues pruned to eliminate duplicates Z: 10 6.279 1.734 0.468 0.627 0.667 0.222 CB 1.094 10 residues pruned to eliminate duplicates Z: 29 17.649 1.781 0.446 0.661 0.893 0.607 CB 1.250 40 residues pruned to eliminate duplicates Z: 12 7.546 1.557 0.542 0.642 0.818 0.364 CB 1.015 Z: 11 10.020 1.437 1.001 0.721 0.900 0.400 N 1.003 12 residues pruned to eliminate duplicates Z: 12 15.629 1.626 0.940 0.817 0.909 0.818 CB 1.247 11 residues pruned to eliminate duplicates Z: 12 11.414 1.564 0.707 0.825 1.000 0.455 CB 0.973 12 residues pruned to eliminate duplicates Z: 12 9.922 1.612 0.535 0.753 0.909 0.636 CB 1.062 12 residues pruned to eliminate duplicates Z: 8 4.036 1.675 0.368 0.428 0.857 0.571 CA 0.838 8 residues pruned to eliminate duplicates Z: 9 5.329 1.590 0.372 0.366 1.000 0.375 CA 0.998 9 residues pruned to eliminate duplicates Z: 10 7.524 1.640 0.473 0.553 0.889 0.444 N 1.109 11 residues pruned to eliminate duplicates Z: 9 8.142 1.724 0.491 0.533 1.000 0.750 CA 1.085 9 residues pruned to eliminate duplicates Z: 26 9.141 1.661 0.163 0.546 0.920 0.680 CB 0.983 26 residues pruned to eliminate duplicates Z: 16 8.321 1.534 0.493 0.562 0.933 0.533 CB 0.946 16 residues pruned to eliminate duplicates Z: 14 7.454 1.603 0.281 0.560 0.923 0.615 CB 1.029 14 residues pruned to eliminate duplicates Z: 6 4.431 1.509 0.564 0.517 0.800 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 50 17.907 1.673 0.398 0.516 0.918 0.633 CB 1.172 54 residues pruned to eliminate duplicates Z: 16 8.539 1.591 0.552 0.705 0.800 0.600 CB 0.926 16 residues pruned to eliminate duplicates Z: 17 9.237 1.668 0.416 0.519 0.750 0.438 CB 1.280 17 residues pruned to eliminate duplicates Z: 19 10.363 1.677 0.365 0.502 0.889 0.500 CB 1.197 19 residues pruned to eliminate duplicates Z: 18 10.039 1.705 0.412 0.478 0.882 0.529 CB 1.172 18 residues pruned to eliminate duplicates Z: 28 15.421 1.645 0.608 0.579 0.852 0.593 CB 1.221 28 residues pruned to eliminate duplicates Z: 16 10.280 1.603 0.325 0.766 0.867 0.467 CA 1.139 16 residues pruned to eliminate duplicates Z: 18 12.286 1.727 0.387 0.579 0.882 0.529 CB 1.307 18 residues pruned to eliminate duplicates Z: 21 13.912 1.725 0.619 0.581 0.900 0.500 CB 1.145 21 residues pruned to eliminate duplicates Z: 24 13.225 1.687 0.426 0.531 0.870 0.522 CB 1.279 24 residues pruned to eliminate duplicates Z: 13 8.689 1.714 0.551 0.458 0.750 0.500 CB 1.313 13 residues pruned to eliminate duplicates Z: 18 11.713 1.726 0.360 0.649 0.824 0.588 CB 1.279 18 residues pruned to eliminate duplicates Z: 17 15.118 1.720 0.624 0.572 0.938 0.562 CB 1.346 17 residues pruned to eliminate duplicates Z: 13 7.890 1.699 0.299 0.523 0.917 0.500 CB 1.100 13 residues pruned to eliminate duplicates Z: 19 10.798 1.642 0.437 0.529 0.833 0.556 CB 1.258 19 residues pruned to eliminate duplicates Z: 25 11.213 1.644 0.399 0.496 0.917 0.375 CB 1.090 25 residues pruned to eliminate duplicates Z: 23 9.235 1.484 0.580 0.310 0.909 0.500 CB 1.141 23 residues pruned to eliminate duplicates Z: 33 14.840 1.649 0.582 0.421 0.906 0.594 CA 1.205 33 residues pruned to eliminate duplicates Z: 42 17.289 1.671 0.495 0.487 0.927 0.585 CA 1.182 42 residues pruned to eliminate duplicates Z: 33 14.861 1.612 0.370 0.541 0.969 0.688 CA 1.179 33 residues pruned to eliminate duplicates Z: 20 14.555 1.630 0.676 0.538 1.000 0.789 CA 1.178 20 residues pruned to eliminate duplicates Z: 29 13.037 1.641 0.526 0.466 0.857 0.679 CA 1.189 29 residues pruned to eliminate duplicates Z: 37 15.873 1.676 0.406 0.529 0.917 0.583 CA 1.190 37 residues pruned to eliminate duplicates Z: 17 5.905 1.488 0.266 0.273 0.938 0.375 CB 1.081 17 residues pruned to eliminate duplicates Z: 28 15.907 1.719 0.520 0.474 0.926 0.593 CB 1.298 28 residues pruned to eliminate duplicates Z: 20 14.820 1.681 0.745 0.536 0.947 0.737 CA 1.180 36 residues pruned to eliminate duplicates Z: 13 14.341 1.764 0.357 0.802 1.000 0.917 CA 1.328 13 residues pruned to eliminate duplicates Z: 22 8.419 1.673 0.360 0.455 0.714 0.571 CB 1.183 22 residues pruned to eliminate duplicates Z: 22 17.342 1.741 0.697 0.602 0.952 0.714 CB 1.221 22 residues pruned to eliminate duplicates Z: 10 9.739 1.820 0.584 0.512 0.889 0.667 CB 1.251 10 residues pruned to eliminate duplicates Z: 12 18.213 1.857 0.689 0.750 1.000 0.727 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 17.957 1.879 0.588 0.748 1.000 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 25 21.652 1.791 0.855 0.680 0.958 0.667 CB 1.176 25 residues pruned to eliminate duplicates Z: 12 19.443 1.833 0.876 0.811 1.000 0.545 CB 1.300 12 residues pruned to eliminate duplicates Z: 16 18.758 1.853 0.673 0.691 0.933 0.467 CB 1.405 16 residues pruned to eliminate duplicates Z: 14 13.733 1.754 0.676 0.598 0.923 0.385 CB 1.278 14 residues pruned to eliminate duplicates Z: 28 22.803 1.780 0.893 0.699 0.889 0.444 CB 1.223 28 residues pruned to eliminate duplicates Z: 22 18.320 1.823 0.721 0.619 0.857 0.571 CB 1.328 28 residues pruned to eliminate duplicates Z: 19 14.619 1.763 0.726 0.622 0.833 0.333 CB 1.211 19 residues pruned to eliminate duplicates Z: 12 6.233 1.715 0.265 0.416 0.818 0.364 CB 1.156 12 residues pruned to eliminate duplicates Z: 15 5.771 1.563 0.425 0.285 0.857 0.500 CB 1.029 15 residues pruned to eliminate duplicates Z: 14 4.527 1.648 0.336 0.537 0.615 0.385 CB 0.894 14 residues pruned to eliminate duplicates Z: 14 8.865 1.727 0.426 0.531 0.846 0.385 CB 1.145 14 residues pruned to eliminate duplicates Z: 24 16.791 1.742 0.549 0.651 0.957 0.261 CB 1.178 24 residues pruned to eliminate duplicates Z: 14 6.527 1.644 0.300 0.484 0.846 0.462 CB 1.017 14 residues pruned to eliminate duplicates Z: 19 8.212 1.698 0.257 0.489 0.833 0.333 CB 1.100 19 residues pruned to eliminate duplicates Z: 16 6.336 1.670 0.404 0.446 0.667 0.400 CB 1.106 16 residues pruned to eliminate duplicates Z: 19 7.913 1.645 0.331 0.509 0.778 0.389 CB 1.086 19 residues pruned to eliminate duplicates Z: 15 6.039 1.622 0.211 0.490 0.786 0.357 CB 1.056 15 residues pruned to eliminate duplicates Z: 27 15.731 1.747 0.564 0.578 0.808 0.346 CB 1.297 27 residues pruned to eliminate duplicates Z: 19 11.113 1.716 0.521 0.470 0.889 0.556 CB 1.164 17 residues pruned to eliminate duplicates Z: 7 4.733 1.281 0.692 0.497 1.000 0.833 CA 0.894 7 residues pruned to eliminate duplicates Z: 6 7.916 1.833 0.674 0.354 1.000 0.600 CA 1.351 6 residues pruned to eliminate duplicates Z: 7 5.998 1.712 0.659 0.362 1.000 0.667 CA 1.001 7 residues pruned to eliminate duplicates Z: 18 10.479 1.811 0.432 0.443 0.882 0.706 CA 1.178 18 residues pruned to eliminate duplicates Z: 19 8.630 1.772 0.257 0.375 0.889 0.444 CA 1.174 19 residues pruned to eliminate duplicates Z: 20 8.764 1.719 0.207 0.422 0.947 0.632 CA 1.109 20 residues pruned to eliminate duplicates Z: 27 14.416 1.615 0.354 0.696 0.923 0.769 CB 1.171 27 residues pruned to eliminate duplicates Z: 6 2.583 1.407 0.479 0.376 0.800 0.200 CA 0.792 6 residues pruned to eliminate duplicates Z: 23 11.428 1.737 0.528 0.408 0.864 0.591 CB 1.170 23 residues pruned to eliminate duplicates Z: 23 13.248 1.614 0.403 0.560 1.000 0.636 CB 1.177 23 residues pruned to eliminate duplicates Z: 12 11.913 1.880 0.499 0.624 0.909 0.818 CA 1.247 12 residues pruned to eliminate duplicates Z: 13 10.928 1.821 0.524 0.581 0.833 0.833 CA 1.261 13 residues pruned to eliminate duplicates Z: 21 13.458 1.753 0.570 0.474 0.950 0.800 CA 1.182 21 residues pruned to eliminate duplicates Z: 14 14.081 1.816 0.599 0.597 0.923 0.692 CA 1.328 14 residues pruned to eliminate duplicates Z: 37 14.797 1.733 0.475 0.444 0.889 0.500 CB 1.149 37 residues pruned to eliminate duplicates Z: 25 10.847 1.728 0.391 0.412 0.917 0.625 CB 1.102 25 residues pruned to eliminate duplicates Z: 24 9.648 1.703 0.330 0.399 0.870 0.652 CB 1.136 24 residues pruned to eliminate duplicates Z: 21 10.024 1.656 0.374 0.412 0.950 0.450 CB 1.136 21 residues pruned to eliminate duplicates Z: 19 10.758 1.727 0.250 0.516 1.000 0.611 CB 1.156 19 residues pruned to eliminate duplicates Z: 18 14.117 1.738 0.536 0.577 0.882 0.824 CA 1.350 18 residues pruned to eliminate duplicates Z: 7 4.040 1.515 -0.028 0.784 0.833 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 20 11.795 1.656 0.540 0.579 0.895 0.737 CB 1.100 20 residues pruned to eliminate duplicates Z: 13 7.942 1.577 0.551 0.783 0.833 0.833 CB 0.877 11 residues pruned to eliminate duplicates Z: 10 10.492 1.460 0.657 0.843 1.000 0.889 CB 1.076 10 residues pruned to eliminate duplicates Z: 9 3.765 1.274 0.695 0.301 0.750 0.500 N 1.026 9 residues pruned to eliminate duplicates Z: 11 8.136 1.428 0.623 0.710 0.900 0.500 CB 1.019 11 residues pruned to eliminate duplicates Z: 10 8.066 1.432 0.337 0.727 1.000 0.333 CB 1.145 10 residues pruned to eliminate duplicates Z: 9 3.817 1.452 0.265 0.562 0.875 0.375 CB 0.791 9 residues pruned to eliminate duplicates Z: 15 8.572 1.652 0.473 0.561 0.786 0.714 CB 1.130 15 residues pruned to eliminate duplicates Z: 20 9.901 1.618 0.516 0.511 0.842 0.421 CB 1.088 21 residues pruned to eliminate duplicates Z: 22 12.860 1.571 0.441 0.695 0.952 0.571 CB 1.089 21 residues pruned to eliminate duplicates Z: 14 9.999 1.654 0.486 0.690 0.923 0.923 CB 1.027 14 residues pruned to eliminate duplicates Z: 16 10.686 1.673 0.510 0.530 0.867 0.600 CB 1.224 16 residues pruned to eliminate duplicates Z: 30 13.989 1.674 0.359 0.461 0.966 0.655 CA 1.230 32 residues pruned to eliminate duplicates Z: 7 9.410 1.628 0.594 0.812 1.000 0.667 CA 1.129 7 residues pruned to eliminate duplicates Z: 38 15.837 1.724 0.407 0.488 0.892 0.459 CB 1.218 38 residues pruned to eliminate duplicates Z: 15 8.364 1.697 0.578 0.526 0.857 0.429 CB 0.949 15 residues pruned to eliminate duplicates Z: 19 7.415 1.639 0.458 0.513 0.833 0.333 CB 0.867 19 residues pruned to eliminate duplicates Z: 20 8.921 1.674 0.496 0.518 0.737 0.368 CB 1.089 20 residues pruned to eliminate duplicates Z: 38 11.898 1.624 0.416 0.496 0.811 0.595 CB 1.053 38 residues pruned to eliminate duplicates Z: 39 13.834 1.762 0.339 0.440 0.816 0.526 CB 1.241 39 residues pruned to eliminate duplicates Z: 15 8.943 1.790 0.190 0.528 0.929 0.571 CA 1.175 15 residues pruned to eliminate duplicates Z: 34 14.525 1.792 0.256 0.532 0.909 0.545 CB 1.197 34 residues pruned to eliminate duplicates Z: 31 14.322 1.711 0.326 0.535 0.933 0.567 CB 1.193 31 residues pruned to eliminate duplicates Z: 34 14.611 1.791 0.297 0.507 0.909 0.485 CB 1.196 34 residues pruned to eliminate duplicates Z: 30 14.259 1.725 0.446 0.496 0.897 0.586 CB 1.189 30 residues pruned to eliminate duplicates Z: 9 5.207 1.759 0.343 0.569 1.000 0.625 CA 0.729 9 residues pruned to eliminate duplicates Z: 14 6.273 1.738 0.456 0.457 0.846 0.462 CA 0.849 14 residues pruned to eliminate duplicates Z: 23 10.339 1.838 0.193 0.369 0.909 0.545 CA 1.272 23 residues pruned to eliminate duplicates Z: 38 14.239 1.742 0.323 0.448 0.865 0.486 CB 1.238 38 residues pruned to eliminate duplicates Z: 10 8.163 1.944 0.349 0.493 0.889 0.556 CA 1.176 10 residues pruned to eliminate duplicates Z: 13 7.552 1.920 0.256 0.432 0.833 0.583 CA 1.165 13 residues pruned to eliminate duplicates Z: 9 8.102 1.877 0.486 0.525 1.000 0.750 CA 1.002 9 residues pruned to eliminate duplicates Z: 9 7.835 1.875 0.462 0.545 1.000 0.625 CA 0.967 9 residues pruned to eliminate duplicates Z: 9 7.590 1.933 0.346 0.467 1.000 0.625 CA 1.067 9 residues pruned to eliminate duplicates Z: 11 6.536 1.878 0.449 0.344 0.900 0.400 CA 1.000 11 residues pruned to eliminate duplicates Z: 17 8.178 1.816 0.379 0.372 0.938 0.312 CA 0.999 17 residues pruned to eliminate duplicates Z: 16 7.862 1.724 0.537 0.308 0.800 0.467 CA 1.185 14 residues pruned to eliminate duplicates Z: 6 3.397 1.478 0.582 0.402 1.000 1.000 CA 0.721 Z: 6 2.436 1.268 0.819 0.399 1.000 0.400 CA 0.525 6 residues pruned to eliminate duplicates Z: 7 3.191 1.244 0.448 0.545 1.000 0.667 CB 0.692 Z: 6 6.217 1.537 0.684 0.655 0.800 0.400 N 1.162 6 residues pruned to eliminate duplicates Z: 11 14.439 1.730 0.452 0.812 1.000 0.700 N 1.385 11 residues pruned to eliminate duplicates Z: 13 13.209 1.704 0.406 0.729 1.000 0.833 N 1.295 12 residues pruned to eliminate duplicates Z: 12 11.381 1.727 0.439 0.750 0.909 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 14 12.706 1.610 0.369 0.688 1.000 0.769 N 1.346 14 residues pruned to eliminate duplicates Z: 12 15.395 1.689 0.638 0.796 1.000 0.636 N 1.295 11 residues pruned to eliminate duplicates Z: 12 14.973 1.634 0.670 0.873 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 10 11.165 1.711 0.694 0.840 0.667 0.333 CB 1.437 10 residues pruned to eliminate duplicates Z: 14 6.480 1.490 0.602 0.346 0.923 0.231 CB 0.964 7 residues pruned to eliminate duplicates Z: 7 3.798 1.572 0.595 0.692 0.500 0.333 N 1.037 7 residues pruned to eliminate duplicates Z: 11 5.908 1.535 0.584 0.525 0.800 0.400 CB 0.937 11 residues pruned to eliminate duplicates 7 1.463 1.297 0.557 0.465 0.500 0.333 CB 0.613 ? Z: 12 6.492 1.581 0.545 0.617 0.727 0.455 CB 0.986 10 residues pruned to eliminate duplicates Z: 10 9.488 1.564 0.661 0.697 1.000 0.667 CB 1.017 10 residues pruned to eliminate duplicates Z: 21 12.809 1.547 0.499 0.821 0.850 0.700 CB 1.100 31 residues pruned to eliminate duplicates Z: 21 13.283 1.611 0.346 0.837 0.900 0.700 CB 1.139 21 residues pruned to eliminate duplicates Z: 8 3.350 1.629 0.280 0.517 0.857 0.429 CB 0.696 8 residues pruned to eliminate duplicates Z: 8 3.494 1.661 0.112 0.515 0.714 0.571 CB 0.986 8 residues pruned to eliminate duplicates Z: 11 3.805 1.561 0.140 0.622 0.800 0.600 CB 0.754 11 residues pruned to eliminate duplicates Z: 9 6.789 1.553 0.475 0.554 0.875 0.500 CB 1.136 9 residues pruned to eliminate duplicates Z: 8 9.835 1.571 0.540 0.772 1.000 0.857 CB 1.208 8 residues pruned to eliminate duplicates Z: 21 15.492 1.781 0.636 0.597 0.850 0.650 CB 1.275 30 residues pruned to eliminate duplicates Z: 6 4.374 1.725 0.217 0.427 0.800 0.600 CB 1.256 6 residues pruned to eliminate duplicates Z: 8 16.624 1.994 0.646 0.852 1.000 0.857 N 1.416 8 residues pruned to eliminate duplicates Z: 24 20.632 1.865 0.524 0.713 0.957 0.652 CA 1.305 22 residues pruned to eliminate duplicates Z: 14 12.442 1.838 0.351 0.737 0.923 0.692 CB 1.218 15 residues pruned to eliminate duplicates Z: 12 14.669 1.894 0.462 0.767 0.909 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 16 11.691 1.779 0.219 0.620 0.867 0.667 CA 1.433 16 residues pruned to eliminate duplicates Z: 17 10.356 1.795 0.211 0.563 0.875 0.562 CB 1.280 17 residues pruned to eliminate duplicates Z: 13 11.527 1.882 0.189 0.754 0.917 0.750 CA 1.293 14 residues pruned to eliminate duplicates Z: 12 15.795 1.776 0.437 0.890 1.000 0.909 CA 1.343 12 residues pruned to eliminate duplicates Z: 12 13.207 1.891 0.414 0.805 1.000 0.909 CA 1.142 12 residues pruned to eliminate duplicates Z: 13 16.228 1.880 0.554 0.737 0.917 0.750 CB 1.414 12 residues pruned to eliminate duplicates Z: 13 17.277 1.789 0.561 0.848 1.000 0.917 CA 1.326 13 residues pruned to eliminate duplicates Z: 14 13.149 1.647 0.443 0.865 1.000 0.769 CA 1.124 14 residues pruned to eliminate duplicates Z: 13 15.016 1.766 0.411 0.833 1.000 0.750 CA 1.305 13 residues pruned to eliminate duplicates Z: 14 14.262 1.885 0.412 0.747 0.923 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 17 9.487 1.824 0.374 0.555 0.750 0.500 CB 1.196 17 residues pruned to eliminate duplicates Z: 18 9.497 1.816 0.442 0.514 0.765 0.412 CB 1.134 18 residues pruned to eliminate duplicates Z: 12 6.495 1.748 0.513 0.379 0.818 0.455 CB 1.030 9 residues pruned to eliminate duplicates Z: 6 3.261 1.484 0.391 0.170 1.000 0.400 N 1.054 6 residues pruned to eliminate duplicates Z: 13 13.404 1.930 0.651 0.591 0.917 0.833 CB 1.214 13 residues pruned to eliminate duplicates Z: 13 13.455 1.828 0.595 0.583 0.833 0.583 CB 1.475 13 residues pruned to eliminate duplicates Z: 16 12.117 1.763 0.645 0.524 0.867 0.667 CB 1.215 14 residues pruned to eliminate duplicates Z: 8 5.355 1.243 1.035 0.552 0.857 0.857 N 0.887 8 residues pruned to eliminate duplicates Z: 37 16.287 1.757 0.672 0.450 0.833 0.639 CB 1.168 56 residues pruned to eliminate duplicates Z: 17 15.374 1.686 0.301 0.790 1.000 0.875 CA 1.359 21 residues pruned to eliminate duplicates Z: 16 14.390 1.638 0.384 0.837 1.000 0.800 CA 1.226 16 residues pruned to eliminate duplicates Z: 23 19.683 1.832 0.475 0.697 1.000 0.909 CB 1.298 23 residues pruned to eliminate duplicates Z: 37 22.779 1.851 0.361 0.653 0.972 0.722 CB 1.345 39 residues pruned to eliminate duplicates Z: 14 10.075 1.732 -0.049 0.922 1.000 0.923 CA 1.193 14 residues pruned to eliminate duplicates Z: 41 21.351 1.830 0.340 0.648 0.950 0.800 CB 1.262 41 residues pruned to eliminate duplicates Z: 28 16.784 1.774 0.323 0.690 0.963 0.852 CB 1.202 28 residues pruned to eliminate duplicates Z: 29 20.417 1.806 0.404 0.732 0.929 0.857 CA 1.330 29 residues pruned to eliminate duplicates Z: 28 21.034 1.796 0.579 0.749 0.926 0.667 CB 1.234 28 residues pruned to eliminate duplicates Z: 38 22.657 1.783 0.520 0.695 0.919 0.784 CA 1.252 37 residues pruned to eliminate duplicates Z: 14 17.527 1.703 0.793 0.895 0.923 0.769 CB 1.236 14 residues pruned to eliminate duplicates Z: 26 19.513 1.746 0.659 0.710 0.920 0.720 CB 1.210 26 residues pruned to eliminate duplicates Z: 30 19.521 1.771 0.457 0.708 0.931 0.655 CB 1.249 30 residues pruned to eliminate duplicates Z: 25 16.915 1.774 0.542 0.732 0.917 0.583 CB 1.118 25 residues pruned to eliminate duplicates Z: 29 22.672 1.791 0.637 0.733 0.964 0.786 CB 1.229 29 residues pruned to eliminate duplicates Z: 29 20.044 1.766 0.492 0.741 0.964 0.786 CB 1.201 29 residues pruned to eliminate duplicates Z: 29 27.142 1.856 0.670 0.747 1.000 0.893 CB 1.327 29 residues pruned to eliminate duplicates Z: 44 25.738 1.798 0.584 0.692 0.930 0.744 CB 1.243 44 residues pruned to eliminate duplicates Z: 30 20.018 1.776 0.489 0.715 0.897 0.793 CA 1.290 30 residues pruned to eliminate duplicates Z: 54 27.064 1.822 0.467 0.661 0.943 0.717 CB 1.270 54 residues pruned to eliminate duplicates Z: 15 16.510 1.838 0.445 0.834 1.000 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 29 22.353 1.775 0.565 0.747 1.000 0.750 CB 1.219 29 residues pruned to eliminate duplicates Z: 28 22.402 1.802 0.579 0.767 0.963 0.852 CA 1.242 28 residues pruned to eliminate duplicates Z: 30 16.498 1.695 0.704 0.554 0.897 0.483 CB 1.123 30 residues pruned to eliminate duplicates Z: 11 7.520 1.637 0.448 0.632 0.800 0.500 CB 1.107 11 residues pruned to eliminate duplicates Z: 11 6.618 1.655 0.538 0.578 0.700 0.500 CB 1.089 11 residues pruned to eliminate duplicates Z: 24 8.883 1.614 0.566 0.383 0.783 0.391 CB 1.061 24 residues pruned to eliminate duplicates Z: 12 6.395 1.538 0.704 0.543 0.636 0.545 CB 1.108 12 residues pruned to eliminate duplicates Z: 30 15.961 1.696 0.626 0.534 0.897 0.655 CB 1.159 30 residues pruned to eliminate duplicates Z: 30 16.303 1.710 0.547 0.558 0.862 0.586 CB 1.255 30 residues pruned to eliminate duplicates Z: 48 23.064 1.798 0.541 0.606 0.894 0.745 CB 1.228 48 residues pruned to eliminate duplicates Z: 40 20.529 1.719 0.531 0.576 0.974 0.667 CA 1.191 36 residues pruned to eliminate duplicates Z: 6 3.357 1.426 0.620 0.283 0.800 0.600 CA 1.037 6 residues pruned to eliminate duplicates Z: 8 7.118 1.780 0.593 0.558 0.857 0.714 CA 1.046 8 residues pruned to eliminate duplicates Z: 50 27.804 1.803 0.598 0.588 0.918 0.633 CB 1.379 50 residues pruned to eliminate duplicates Z: 11 4.722 1.742 0.032 0.401 0.800 0.300 CA 1.153 11 residues pruned to eliminate duplicates Z: 10 10.405 1.785 0.494 0.566 1.000 0.556 CA 1.221 10 residues pruned to eliminate duplicates Z: 12 9.470 1.686 0.541 0.539 1.000 0.727 CA 1.058 12 residues pruned to eliminate duplicates Z: 11 8.939 1.695 0.455 0.497 1.000 0.600 CA 1.149 11 residues pruned to eliminate duplicates 639 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 18 D: 6 E: 100 F: 49 G: 22 H: 70 I: 69 J: 10 K: 100 L: 40 M: 23 N: 23 O: 87 P: 10 CC for partial structure against native data = 33.24 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.393, Connect. = 0.677 for dens.mod. cycle 1 = 0.303, Contrast = 0.454, Connect. = 0.697 for dens.mod. cycle 2 = 0.303, Contrast = 0.537, Connect. = 0.732 for dens.mod. cycle 3 = 0.303, Contrast = 0.541, Connect. = 0.735 for dens.mod. cycle 4 = 0.303, Contrast = 0.551, Connect. = 0.739 for dens.mod. cycle 5 = 0.303, Contrast = 0.554, Connect. = 0.741 for dens.mod. cycle 6 = 0.303, Contrast = 0.559, Connect. = 0.743 for dens.mod. cycle 7 = 0.303, Contrast = 0.560, Connect. = 0.745 for dens.mod. cycle 8 = 0.303, Contrast = 0.563, Connect. = 0.747 for dens.mod. cycle 9 = 0.303, Contrast = 0.564, Connect. = 0.748 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.28 - 4.17 - 3.63 - 3.29 - 3.05 - 2.86 - 2.72 - 2.60 - 2.49 - 2.41 0.708 0.753 0.724 0.687 0.610 0.628 0.644 0.636 0.624 0.595 0.848 0.885 0.864 0.827 0.746 0.763 0.797 0.797 0.788 0.763 N 3835 3829 3853 3850 3845 3982 3663 3823 4154 3474 Estimated mean FOM = 0.661 Pseudo-free CC = 68.30 % Best trace (cycle 1 with CC 42.09%) was saved as ./1vqy-2.4-parrot-hancs/1vqy-2.4-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 5.5 - FFTs and peak-searches 21.2 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 974.2 - Tripeptide search 7457.1 - Chain tracing 0.0 - NCS analysis 46.5 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 18:35:46 Total time: 8505.80 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 142.58 Used memory is bytes: 11547816