null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:48:04 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: ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.ins Phases from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi Native data from ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.hkl Listing output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.lst Phases output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phs Poly-Ala trace output to ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: I 4 2 2 Allowed origin shift code: 10 64376 Reflections read from file ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.phi 64376 Reflections read from file ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.hkl 64376 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by -0.000033h^2 -0.000033k^2 +0.000009l^2 +0.000000kl +0.000000hl +0.000000hk 36 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 256 x 256 x 127 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.761 = 0.207, Contrast = 0.084, Connect. = 0.624 for dens.mod. cycle 1 = 0.243, Contrast = 0.206, Connect. = 0.656 for dens.mod. cycle 2 = 0.300, Contrast = 0.367, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.428, Connect. = 0.733 for dens.mod. cycle 4 = 0.300, Contrast = 0.496, Connect. = 0.757 for dens.mod. cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.562, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.580, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.592, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.600, Connect. = 0.792 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4204 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 875 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 36.474 2.117 1.084 0.900 1.000 0.769 CA 1.637 B: 69 65.799 2.170 1.124 0.665 0.956 0.779 CB 1.554 C: 64 52.501 2.144 0.722 0.620 0.968 0.794 CB 1.653 D: 17 26.516 2.170 1.145 0.567 0.938 0.688 CB 1.424 6 residues pruned to eliminate duplicates E: 13 27.956 2.130 0.715 0.879 1.000 0.750 CA 1.602 13 residues pruned to eliminate duplicates F: 15 31.421 2.028 0.918 0.903 1.000 0.929 CA 1.539 15 residues pruned to eliminate duplicates G: 17 23.218 2.205 0.563 0.490 1.000 0.625 CB 1.701 17 residues pruned to eliminate duplicates H: 16 31.267 2.244 0.841 0.789 0.933 0.667 CA 1.624 I: 16 31.715 2.090 1.355 0.602 0.933 0.800 CB 1.618 J: 66 57.833 2.192 0.968 0.591 0.938 0.692 CB 1.624 64 residues pruned to eliminate duplicates K: 14 28.061 2.121 1.120 0.859 0.923 0.769 CB 1.379 L: 78 70.249 2.250 1.144 0.600 0.909 0.688 CB 1.660 32 residues pruned to eliminate duplicates M: 17 22.964 1.976 1.061 0.548 0.875 0.688 CB 1.536 17 residues pruned to eliminate duplicates N: 73 59.077 2.231 1.033 0.553 0.944 0.667 CB 1.543 73 residues pruned to eliminate duplicates O: 50 48.111 2.108 0.918 0.621 0.959 0.612 CB 1.581 48 residues pruned to eliminate duplicates P: 16 31.754 2.235 0.698 0.794 1.000 0.800 CA 1.670 16 residues pruned to eliminate duplicates Q: 68 58.638 2.153 1.060 0.584 0.940 0.642 CB 1.585 R: 13 29.406 2.140 0.727 0.875 1.000 0.750 CA 1.671 13 residues pruned to eliminate duplicates S: 64 49.819 2.125 0.846 0.599 0.937 0.698 CB 1.555 T: 26 41.883 2.107 1.420 0.725 0.880 0.520 CB 1.525 26 residues pruned to eliminate duplicates U: 59 56.887 2.180 0.915 0.625 0.948 0.776 CB 1.677 59 residues pruned to eliminate duplicates V: 33 28.456 2.069 0.637 0.545 0.938 0.688 CB 1.516 33 residues pruned to eliminate duplicates W: 67 61.376 2.225 0.986 0.590 0.955 0.712 CB 1.644 67 residues pruned to eliminate duplicates X: 59 58.512 2.215 0.987 0.631 0.931 0.759 CB 1.657 59 residues pruned to eliminate duplicates Y: 45 38.370 2.082 1.023 0.607 0.886 0.568 CB 1.400 45 residues pruned to eliminate duplicates Z: 27 33.265 2.050 1.235 0.699 0.808 0.500 CB 1.470 27 residues pruned to eliminate duplicates Z: 17 25.365 2.176 0.752 0.532 0.938 0.812 CB 1.720 17 residues pruned to eliminate duplicates Z: 61 66.179 2.251 1.103 0.621 0.967 0.800 CB 1.666 63 residues pruned to eliminate duplicates Z: 71 58.121 2.158 1.023 0.584 0.971 0.686 CB 1.511 64 residues pruned to eliminate duplicates Z: 23 28.889 2.205 0.753 0.517 0.909 0.682 CB 1.723 23 residues pruned to eliminate duplicates Z: 65 64.387 2.286 1.031 0.597 0.953 0.719 CB 1.657 66 residues pruned to eliminate duplicates Z: 50 46.809 2.136 0.872 0.610 0.939 0.673 CB 1.605 54 residues pruned to eliminate duplicates Z: 33 35.461 2.068 0.956 0.578 0.938 0.656 CB 1.533 34 residues pruned to eliminate duplicates Z: 16 34.037 2.319 1.088 0.597 1.000 0.867 CB 1.654 16 residues pruned to eliminate duplicates Z: 14 26.240 2.037 0.892 0.897 0.923 0.923 CA 1.464 Z: 126 89.913 2.212 1.107 0.599 0.968 0.672 CB 1.622 128 residues pruned to eliminate duplicates Z: 31 41.290 2.206 1.273 0.668 0.900 0.500 CB 1.431 32 residues pruned to eliminate duplicates Z: 61 66.667 2.246 1.158 0.616 0.950 0.717 CB 1.675 60 residues pruned to eliminate duplicates Z: 37 47.468 2.116 1.168 0.685 0.917 0.778 CB 1.588 25 residues pruned to eliminate duplicates Z: 64 66.790 2.295 1.104 0.601 0.968 0.778 CB 1.635 64 residues pruned to eliminate duplicates Z: 14 28.687 2.016 0.894 0.878 1.000 0.846 CB 1.512 14 residues pruned to eliminate duplicates Z: 31 37.900 2.174 1.160 0.628 0.900 0.433 CB 1.451 31 residues pruned to eliminate duplicates Z: 19 21.466 2.035 0.955 0.456 0.889 0.611 CB 1.496 19 residues pruned to eliminate duplicates Z: 15 22.236 1.924 1.022 0.809 0.929 0.786 CB 1.257 Z: 61 60.293 2.211 0.921 0.626 0.967 0.717 CB 1.683 65 residues pruned to eliminate duplicates Z: 16 23.003 2.186 0.585 0.766 0.867 0.533 CB 1.562 16 residues pruned to eliminate duplicates Z: 16 23.626 2.170 0.583 0.768 0.800 0.533 CA 1.752 16 residues pruned to eliminate duplicates Z: 15 28.347 2.004 0.979 0.897 1.000 0.857 CA 1.368 15 residues pruned to eliminate duplicates Z: 15 18.546 1.802 1.304 0.596 0.929 0.643 CB 1.174 Z: 67 56.604 2.172 0.952 0.547 0.939 0.697 CA 1.671 67 residues pruned to eliminate duplicates Z: 17 21.317 2.061 0.441 0.758 0.938 0.562 CA 1.522 17 residues pruned to eliminate duplicates Z: 6 11.601 2.110 0.495 0.788 0.800 0.800 CA 1.596 6 residues pruned to eliminate duplicates Z: 66 58.662 2.224 0.886 0.595 0.938 0.677 CB 1.688 66 residues pruned to eliminate duplicates Z: 13 30.145 2.330 0.773 0.782 0.917 0.583 CB 1.792 13 residues pruned to eliminate duplicates Z: 13 31.733 2.141 0.978 0.854 1.000 0.750 CA 1.598 14 residues pruned to eliminate duplicates Z: 66 60.733 2.227 1.021 0.596 0.923 0.708 CB 1.654 66 residues pruned to eliminate duplicates Z: 14 26.890 2.013 1.192 0.819 0.923 0.846 CB 1.388 15 residues pruned to eliminate duplicates Z: 67 62.230 2.215 1.049 0.577 0.939 0.697 CB 1.668 67 residues pruned to eliminate duplicates Z: 6 6.551 1.918 1.171 0.355 0.600 0.400 CA 1.372 Z: 46 45.654 2.137 0.764 0.675 0.956 0.733 CB 1.608 46 residues pruned to eliminate duplicates Z: 15 28.906 2.275 0.572 0.810 0.929 0.571 CA 1.776 15 residues pruned to eliminate duplicates Z: 14 20.303 2.074 0.673 0.873 1.000 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 60 59.175 2.180 1.049 0.620 0.983 0.695 CB 1.566 60 residues pruned to eliminate duplicates Z: 15 16.497 1.941 0.563 0.740 0.786 0.429 CA 1.492 15 residues pruned to eliminate duplicates Z: 17 23.691 1.940 0.745 0.889 1.000 0.812 CB 1.259 17 residues pruned to eliminate duplicates Z: 16 30.582 2.214 0.981 0.534 1.000 0.600 CA 1.741 16 residues pruned to eliminate duplicates Z: 15 35.220 1.973 1.130 0.911 1.000 0.857 CB 1.587 14 residues pruned to eliminate duplicates Z: 56 60.860 2.252 0.896 0.659 0.982 0.800 CB 1.688 56 residues pruned to eliminate duplicates Z: 17 25.417 1.992 1.244 0.503 1.000 0.812 CB 1.418 17 residues pruned to eliminate duplicates Z: 8 18.861 2.241 0.558 0.836 0.857 0.857 CB 1.782 8 residues pruned to eliminate duplicates Z: 23 31.507 1.965 1.245 0.811 0.909 0.455 CB 1.278 15 residues pruned to eliminate duplicates Z: 64 59.812 2.194 0.974 0.602 0.968 0.714 CB 1.631 64 residues pruned to eliminate duplicates Z: 26 44.657 2.152 1.297 0.720 0.960 0.600 CB 1.543 26 residues pruned to eliminate duplicates Z: 66 63.817 2.227 1.082 0.592 0.954 0.677 CB 1.639 66 residues pruned to eliminate duplicates Z: 15 22.202 2.318 0.225 0.811 0.929 0.714 CB 1.716 15 residues pruned to eliminate duplicates Z: 62 57.999 2.206 1.039 0.633 0.951 0.705 CB 1.533 62 residues pruned to eliminate duplicates Z: 15 26.194 2.002 1.329 0.613 0.929 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 50 41.024 2.078 0.703 0.636 0.959 0.673 CB 1.520 50 residues pruned to eliminate duplicates Z: 12 13.217 1.809 0.365 0.863 1.000 0.545 CB 1.184 Z: 16 27.565 2.165 0.752 0.907 0.933 0.800 CA 1.429 16 residues pruned to eliminate duplicates Z: 15 29.798 2.283 0.665 0.794 1.000 0.643 CA 1.619 15 residues pruned to eliminate duplicates Z: 16 24.252 2.020 0.698 0.883 0.933 0.800 CB 1.415 16 residues pruned to eliminate duplicates Z: 45 46.541 2.102 0.914 0.684 0.955 0.682 CB 1.543 45 residues pruned to eliminate duplicates Z: 66 64.211 2.156 1.200 0.658 0.969 0.754 CB 1.496 106 residues pruned to eliminate duplicates Z: 72 72.227 2.221 1.134 0.639 0.958 0.662 CB 1.658 80 residues pruned to eliminate duplicates Z: 61 62.954 2.205 1.012 0.626 0.967 0.733 CB 1.683 62 residues pruned to eliminate duplicates Z: 11 15.000 1.920 0.696 0.804 0.900 0.500 CB 1.241 11 residues pruned to eliminate duplicates Z: 16 18.896 2.020 0.375 0.780 1.000 0.667 CA 1.373 16 residues pruned to eliminate duplicates Z: 27 40.512 2.147 1.270 0.678 0.885 0.769 CB 1.564 27 residues pruned to eliminate duplicates Z: 14 22.796 1.933 1.152 0.699 0.846 0.769 CA 1.498 13 residues pruned to eliminate duplicates Z: 27 42.917 2.177 1.401 0.719 0.923 0.654 CB 1.431 16 residues pruned to eliminate duplicates Z: 17 33.564 2.174 0.932 0.789 0.938 0.562 CA 1.652 17 residues pruned to eliminate duplicates Z: 61 63.281 2.261 1.041 0.610 0.933 0.767 CB 1.708 61 residues pruned to eliminate duplicates Z: 15 16.703 2.104 0.229 0.844 0.929 0.786 CA 1.384 15 residues pruned to eliminate duplicates Z: 34 30.753 2.020 1.138 0.644 0.788 0.576 CB 1.376 34 residues pruned to eliminate duplicates Z: 15 29.490 2.079 0.817 0.888 1.000 0.786 CB 1.503 15 residues pruned to eliminate duplicates Z: 68 52.462 2.107 0.962 0.569 0.940 0.627 CB 1.542 68 residues pruned to eliminate duplicates Z: 7 20.216 2.220 1.077 0.868 0.833 0.833 CB 1.569 7 residues pruned to eliminate duplicates Z: 64 72.319 2.310 1.162 0.603 0.984 0.698 CB 1.681 64 residues pruned to eliminate duplicates Z: 68 70.765 2.304 1.125 0.595 0.985 0.687 CB 1.637 68 residues pruned to eliminate duplicates Z: 28 33.309 2.095 1.084 0.723 0.852 0.556 CB 1.410 27 residues pruned to eliminate duplicates Z: 67 49.462 2.114 0.824 0.557 0.939 0.712 CB 1.590 63 residues pruned to eliminate duplicates Z: 60 59.941 2.200 0.997 0.613 0.966 0.712 CB 1.653 60 residues pruned to eliminate duplicates Z: 45 45.951 2.157 0.846 0.633 0.955 0.682 CB 1.608 45 residues pruned to eliminate duplicates Z: 12 31.293 2.180 1.327 0.760 1.000 0.909 CB 1.476 12 residues pruned to eliminate duplicates Z: 59 51.524 2.171 0.875 0.635 0.948 0.741 CB 1.545 58 residues pruned to eliminate duplicates Z: 14 33.686 2.052 0.984 0.874 1.000 0.615 CA 1.670 Z: 15 26.044 1.986 0.824 0.871 0.929 0.786 CB 1.510 15 residues pruned to eliminate duplicates Z: 66 58.206 2.201 0.872 0.594 0.954 0.708 CB 1.680 66 residues pruned to eliminate duplicates Z: 16 24.874 2.116 0.291 0.869 1.000 0.733 CB 1.718 16 residues pruned to eliminate duplicates Z: 12 29.540 2.122 1.377 0.777 1.000 0.909 CB 1.382 12 residues pruned to eliminate duplicates Z: 12 20.530 2.104 0.984 0.673 1.000 0.818 CB 1.264 12 residues pruned to eliminate duplicates Z: 58 54.181 2.170 0.906 0.624 1.000 0.719 CB 1.544 58 residues pruned to eliminate duplicates Z: 67 56.930 2.142 0.970 0.584 0.970 0.636 CB 1.581 67 residues pruned to eliminate duplicates Z: 121 87.169 2.219 1.023 0.621 0.958 0.700 CB 1.650 139 residues pruned to eliminate duplicates Z: 13 34.344 2.153 1.131 0.898 1.000 0.750 CB 1.546 13 residues pruned to eliminate duplicates Z: 15 29.355 2.089 0.718 0.920 1.000 0.857 CA 1.539 15 residues pruned to eliminate duplicates Z: 65 68.377 2.282 1.136 0.582 0.969 0.719 CB 1.673 65 residues pruned to eliminate duplicates Z: 32 28.195 2.014 0.947 0.594 0.871 0.581 CB 1.355 Z: 15 29.732 2.049 0.891 0.895 1.000 0.714 CB 1.471 21 residues pruned to eliminate duplicates Z: 65 69.342 2.296 1.130 0.602 0.953 0.688 CB 1.687 65 residues pruned to eliminate duplicates Z: 14 23.446 2.044 0.432 0.924 1.000 1.000 CB 1.561 14 residues pruned to eliminate duplicates Z: 13 37.309 2.152 1.322 0.901 1.000 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 14 25.634 2.055 1.139 0.722 0.846 0.692 CB 1.564 16 residues pruned to eliminate duplicates Z: 39 41.316 2.101 1.075 0.634 0.895 0.579 CB 1.516 26 residues pruned to eliminate duplicates Z: 55 59.506 2.253 0.924 0.656 0.963 0.815 CB 1.679 55 residues pruned to eliminate duplicates Z: 37 37.943 2.048 1.132 0.636 0.833 0.583 CB 1.530 27 residues pruned to eliminate duplicates Z: 32 33.818 2.058 1.050 0.647 0.806 0.452 CB 1.556 32 residues pruned to eliminate duplicates Z: 60 57.690 2.233 0.940 0.627 0.915 0.780 CB 1.680 60 residues pruned to eliminate duplicates Z: 66 60.446 2.218 1.005 0.600 0.938 0.785 CB 1.633 66 residues pruned to eliminate duplicates Z: 56 52.597 2.165 0.901 0.659 0.982 0.782 CB 1.514 56 residues pruned to eliminate duplicates Z: 14 32.773 2.112 1.210 0.847 1.000 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 15 25.110 2.017 0.980 0.866 0.786 0.643 CB 1.566 15 residues pruned to eliminate duplicates Z: 21 30.478 2.051 1.078 0.817 0.850 0.750 CB 1.429 22 residues pruned to eliminate duplicates Z: 14 31.481 2.129 0.825 0.937 1.000 0.846 CB 1.564 14 residues pruned to eliminate duplicates Z: 66 64.632 2.273 1.010 0.596 0.969 0.692 CB 1.652 66 residues pruned to eliminate duplicates Z: 14 29.882 2.299 0.581 0.781 1.000 0.692 CB 1.779 14 residues pruned to eliminate duplicates Z: 71 53.037 2.178 0.828 0.553 0.943 0.729 CB 1.603 71 residues pruned to eliminate duplicates Z: 42 42.186 2.139 1.122 0.563 0.829 0.683 CB 1.646 42 residues pruned to eliminate duplicates Z: 61 60.518 2.257 0.990 0.598 0.933 0.750 CB 1.698 61 residues pruned to eliminate duplicates Z: 63 55.216 2.171 0.835 0.595 0.952 0.710 CB 1.689 63 residues pruned to eliminate duplicates Z: 17 22.002 1.911 0.833 0.890 0.875 0.625 CB 1.291 17 residues pruned to eliminate duplicates Z: 9 20.082 2.044 0.912 0.879 1.000 0.750 CA 1.317 9 residues pruned to eliminate duplicates Z: 64 51.764 2.184 0.880 0.593 0.952 0.667 CB 1.526 64 residues pruned to eliminate duplicates Z: 14 32.205 2.119 1.021 0.883 1.000 0.846 CB 1.508 14 residues pruned to eliminate duplicates Z: 14 24.885 2.085 0.534 0.932 1.000 1.000 CB 1.507 14 residues pruned to eliminate duplicates Z: 6 6.828 2.187 0.532 0.386 0.600 0.600 CB 1.714 6 residues pruned to eliminate duplicates Z: 64 57.173 2.179 1.021 0.594 0.937 0.698 CB 1.597 64 residues pruned to eliminate duplicates Z: 11 24.921 2.028 1.599 0.692 0.800 0.700 C 1.568 11 residues pruned to eliminate duplicates Z: 56 54.900 2.162 1.031 0.652 0.964 0.727 CB 1.519 56 residues pruned to eliminate duplicates Z: 15 29.961 1.985 0.994 0.883 1.000 0.714 CA 1.463 15 residues pruned to eliminate duplicates Z: 56 63.255 2.251 0.965 0.671 0.982 0.782 CB 1.676 56 residues pruned to eliminate duplicates Z: 65 66.470 2.169 1.078 0.644 0.984 0.750 CB 1.637 102 residues pruned to eliminate duplicates Z: 13 34.738 2.139 1.065 0.947 1.000 1.000 CB 1.569 13 residues pruned to eliminate duplicates Z: 14 38.839 2.201 1.240 0.944 1.000 0.538 CB 1.513 14 residues pruned to eliminate duplicates Z: 15 29.170 2.041 0.881 0.917 1.000 0.857 CB 1.434 15 residues pruned to eliminate duplicates Z: 15 23.173 2.051 0.471 0.941 1.000 1.000 CB 1.424 15 residues pruned to eliminate duplicates Z: 13 29.831 2.123 0.934 0.888 1.000 0.917 CB 1.511 13 residues pruned to eliminate duplicates Z: 16 32.167 2.159 0.919 0.798 1.000 0.467 CA 1.543 16 residues pruned to eliminate duplicates Z: 63 59.528 2.218 0.975 0.596 0.968 0.677 CB 1.627 62 residues pruned to eliminate duplicates Z: 15 34.740 2.173 1.195 0.943 0.929 0.929 CB 1.453 15 residues pruned to eliminate duplicates Z: 59 52.821 2.149 0.806 0.608 0.983 0.707 CB 1.642 59 residues pruned to eliminate duplicates Z: 17 13.967 2.004 0.421 0.747 0.750 0.562 CA 1.311 17 residues pruned to eliminate duplicates Z: 14 32.932 2.117 1.050 0.891 1.000 0.769 CB 1.513 14 residues pruned to eliminate duplicates Z: 66 50.358 2.149 0.826 0.576 0.908 0.646 CB 1.629 66 residues pruned to eliminate duplicates Z: 12 18.573 1.815 0.869 0.801 1.000 0.545 CB 1.268 Z: 66 59.825 2.196 0.998 0.588 0.954 0.738 CB 1.629 64 residues pruned to eliminate duplicates Z: 8 12.490 1.917 0.425 0.873 0.857 0.857 CB 1.469 8 residues pruned to eliminate duplicates Z: 9 17.608 2.006 0.929 0.856 0.875 0.750 CB 1.356 9 residues pruned to eliminate duplicates Z: 14 28.569 2.073 0.855 0.888 0.923 0.692 CA 1.608 13 residues pruned to eliminate duplicates Z: 8 7.802 1.724 0.527 0.644 0.857 0.571 CB 1.142 8 residues pruned to eliminate duplicates Z: 65 67.775 2.287 1.171 0.592 0.953 0.688 CB 1.640 65 residues pruned to eliminate duplicates Z: 8 22.349 2.224 0.629 0.887 1.000 0.714 CB 1.682 8 residues pruned to eliminate duplicates Z: 13 39.697 2.174 1.340 0.894 1.000 0.917 CA 1.616 Z: 22 22.910 2.020 0.982 0.608 0.857 0.714 CB 1.314 22 residues pruned to eliminate duplicates Z: 23 28.005 1.923 0.870 0.833 0.955 0.636 CB 1.305 14 residues pruned to eliminate duplicates Z: 60 66.847 2.259 1.073 0.635 0.966 0.780 CB 1.695 60 residues pruned to eliminate duplicates Z: 16 35.990 2.157 1.246 0.924 0.933 0.800 CB 1.444 16 residues pruned to eliminate duplicates Z: 15 38.086 2.272 0.915 0.856 1.000 0.714 CA 1.725 15 residues pruned to eliminate duplicates Z: 14 25.780 2.062 0.759 0.943 1.000 1.000 CB 1.366 14 residues pruned to eliminate duplicates Z: 15 33.647 2.321 0.857 0.777 0.929 0.571 CB 1.760 15 residues pruned to eliminate duplicates Z: 14 28.709 2.020 0.878 0.861 1.000 0.923 CB 1.541 14 residues pruned to eliminate duplicates Z: 7 7.106 2.075 1.067 0.322 0.667 0.333 CB 1.234 7 residues pruned to eliminate duplicates Z: 33 45.754 2.184 1.324 0.634 0.906 0.812 CB 1.550 33 residues pruned to eliminate duplicates Z: 65 54.355 2.132 1.051 0.603 0.922 0.750 CB 1.528 65 residues pruned to eliminate duplicates Z: 12 14.064 1.886 1.000 0.707 0.909 0.545 CB 1.024 12 residues pruned to eliminate duplicates Z: 12 29.723 2.094 1.333 0.808 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 10 14.479 1.937 0.512 0.802 1.000 0.556 CB 1.266 Z: 14 24.728 2.077 0.915 0.866 1.000 0.692 CB 1.262 14 residues pruned to eliminate duplicates Z: 71 54.224 2.155 0.826 0.571 0.957 0.729 CB 1.607 71 residues pruned to eliminate duplicates Z: 24 25.699 1.890 0.742 0.821 0.870 0.652 CB 1.416 25 residues pruned to eliminate duplicates Z: 12 28.387 2.249 1.044 0.875 1.000 1.000 CB 1.354 12 residues pruned to eliminate duplicates Z: 15 33.037 2.167 0.959 0.937 1.000 0.857 CB 1.447 15 residues pruned to eliminate duplicates Z: 56 60.100 2.157 1.093 0.673 1.000 0.800 CB 1.530 56 residues pruned to eliminate duplicates Z: 15 31.496 2.007 0.894 0.902 1.000 0.714 CA 1.580 15 residues pruned to eliminate duplicates Z: 15 29.906 2.019 0.962 0.872 1.000 0.786 CB 1.471 15 residues pruned to eliminate duplicates Z: 12 36.811 2.258 1.623 0.793 0.909 0.909 CA 1.594 13 residues pruned to eliminate duplicates Z: 11 15.536 1.901 0.705 0.714 0.900 0.500 CA 1.387 11 residues pruned to eliminate duplicates Z: 23 30.233 1.939 0.826 0.875 1.000 0.727 CB 1.323 23 residues pruned to eliminate duplicates Z: 56 51.094 2.166 0.863 0.598 0.945 0.618 CB 1.645 56 residues pruned to eliminate duplicates Z: 22 25.682 1.937 0.734 0.832 0.952 0.667 CB 1.315 22 residues pruned to eliminate duplicates Z: 11 25.769 1.976 1.440 0.603 1.000 0.700 CA 1.532 11 residues pruned to eliminate duplicates Z: 70 53.623 2.142 1.044 0.529 0.913 0.667 CB 1.569 70 residues pruned to eliminate duplicates Z: 31 27.873 2.040 1.108 0.467 0.867 0.600 CB 1.411 11 residues pruned to eliminate duplicates Z: 11 17.693 1.869 1.052 0.755 1.000 0.600 CB 1.162 14 residues pruned to eliminate duplicates Z: 64 68.509 2.273 1.222 0.626 0.952 0.730 CB 1.593 64 residues pruned to eliminate duplicates Z: 16 29.330 2.211 0.715 0.759 0.933 0.600 CA 1.699 16 residues pruned to eliminate duplicates Z: 14 25.353 2.006 0.803 0.859 1.000 0.846 CB 1.430 14 residues pruned to eliminate duplicates Z: 12 33.906 2.162 1.567 0.754 1.000 0.727 CB 1.469 12 residues pruned to eliminate duplicates Z: 11 24.573 2.087 1.280 0.736 0.900 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 6 5.535 2.226 0.035 0.429 1.000 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 71 58.949 2.190 0.883 0.584 0.957 0.671 CB 1.647 71 residues pruned to eliminate duplicates Z: 15 22.794 2.059 0.489 0.924 1.000 0.929 CA 1.396 15 residues pruned to eliminate duplicates Z: 59 57.123 2.178 0.973 0.635 0.966 0.638 CB 1.593 59 residues pruned to eliminate duplicates Z: 66 62.045 2.227 1.045 0.600 0.954 0.738 CB 1.611 66 residues pruned to eliminate duplicates Z: 12 12.266 1.733 0.643 0.786 0.818 0.545 CB 1.234 12 residues pruned to eliminate duplicates Z: 15 28.694 2.172 0.792 0.938 0.929 0.929 CB 1.476 15 residues pruned to eliminate duplicates Z: 13 24.268 1.971 0.768 0.938 1.000 0.917 CA 1.398 13 residues pruned to eliminate duplicates Z: 65 56.659 2.152 0.964 0.589 0.953 0.734 CB 1.615 65 residues pruned to eliminate duplicates Z: 71 66.983 2.256 1.143 0.564 0.986 0.671 CB 1.579 71 residues pruned to eliminate duplicates Z: 18 14.398 1.905 0.254 0.730 0.882 0.647 CA 1.347 18 residues pruned to eliminate duplicates Z: 67 60.155 2.214 1.045 0.565 0.924 0.667 CB 1.661 67 residues pruned to eliminate duplicates Z: 14 34.228 2.065 1.286 0.889 1.000 0.692 CB 1.448 14 residues pruned to eliminate duplicates Z: 13 33.670 2.125 1.237 0.875 1.000 0.917 CB 1.487 13 residues pruned to eliminate duplicates Z: 14 40.541 2.233 1.261 0.924 1.000 0.769 CB 1.563 14 residues pruned to eliminate duplicates Z: 59 54.949 2.200 0.876 0.597 0.983 0.638 CB 1.621 59 residues pruned to eliminate duplicates Z: 10 24.125 2.028 0.960 0.868 1.000 0.778 CB 1.478 8 residues pruned to eliminate duplicates Z: 16 31.002 2.155 0.857 0.863 1.000 0.867 CB 1.467 16 residues pruned to eliminate duplicates Z: 36 49.476 2.236 1.311 0.605 0.914 0.686 CB 1.602 36 residues pruned to eliminate duplicates Z: 62 62.049 2.157 0.999 0.628 0.984 0.754 CB 1.660 62 residues pruned to eliminate duplicates Z: 11 24.460 2.295 0.681 0.799 0.900 0.500 CB 1.715 11 residues pruned to eliminate duplicates Z: 13 30.533 2.106 1.081 0.880 1.000 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 9 6.121 1.743 0.235 0.486 0.875 0.625 CA 1.166 9 residues pruned to eliminate duplicates Z: 14 38.668 2.220 1.293 0.942 1.000 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 14 24.189 1.975 0.809 0.881 1.000 0.846 CB 1.360 14 residues pruned to eliminate duplicates Z: 13 19.747 2.092 0.545 0.781 0.917 0.417 CA 1.502 13 residues pruned to eliminate duplicates Z: 14 27.142 2.158 0.768 0.920 1.000 1.000 CB 1.389 14 residues pruned to eliminate duplicates Z: 11 17.603 1.879 0.795 0.779 0.900 0.600 CA 1.434 11 residues pruned to eliminate duplicates Z: 13 32.322 2.079 1.036 0.895 1.000 0.583 CA 1.581 13 residues pruned to eliminate duplicates Z: 65 57.334 2.177 0.967 0.589 0.938 0.719 CB 1.640 65 residues pruned to eliminate duplicates Z: 15 29.631 1.956 1.005 0.876 1.000 0.643 CB 1.468 15 residues pruned to eliminate duplicates Z: 8 10.482 1.949 0.314 0.779 1.000 0.571 CB 1.210 8 residues pruned to eliminate duplicates Z: 16 28.799 2.032 0.907 0.920 1.000 0.867 CB 1.351 16 residues pruned to eliminate duplicates Z: 14 25.709 2.221 0.572 0.793 0.923 0.692 CA 1.711 14 residues pruned to eliminate duplicates Z: 19 21.782 1.960 0.947 0.500 0.889 0.611 CB 1.513 19 residues pruned to eliminate duplicates Z: 12 17.583 1.897 0.549 0.837 1.000 0.727 CA 1.349 14 residues pruned to eliminate duplicates Z: 8 6.767 1.930 0.316 0.268 0.857 0.429 CB 1.529 Z: 64 52.786 2.187 0.858 0.606 0.937 0.810 CB 1.581 64 residues pruned to eliminate duplicates Z: 47 37.907 2.133 0.688 0.583 0.891 0.739 CA 1.607 47 residues pruned to eliminate duplicates Z: 15 22.129 1.929 1.178 0.713 0.857 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 17 18.067 1.905 0.349 0.865 1.000 0.812 CB 1.287 17 residues pruned to eliminate duplicates Z: 66 61.371 2.273 1.065 0.576 0.938 0.723 CB 1.606 66 residues pruned to eliminate duplicates Z: 63 54.937 2.166 0.945 0.628 0.968 0.758 CB 1.516 63 residues pruned to eliminate duplicates Z: 14 32.174 2.231 0.825 0.818 1.000 0.615 CA 1.663 14 residues pruned to eliminate duplicates Z: 7 16.476 2.181 0.676 0.885 0.833 0.667 CB 1.595 7 residues pruned to eliminate duplicates Z: 10 19.840 1.968 0.833 0.838 1.000 0.778 CB 1.370 11 residues pruned to eliminate duplicates Z: 17 32.076 2.240 1.339 0.497 0.938 0.688 CB 1.638 17 residues pruned to eliminate duplicates Z: 14 24.526 1.899 1.367 0.686 0.923 0.692 CB 1.382 14 residues pruned to eliminate duplicates Z: 10 15.072 2.187 0.298 0.806 0.889 0.444 CA 1.525 10 residues pruned to eliminate duplicates Z: 15 20.570 2.145 0.359 0.816 0.929 0.714 CA 1.543 15 residues pruned to eliminate duplicates Z: 103 72.326 2.150 1.057 0.606 0.912 0.647 CB 1.605 103 residues pruned to eliminate duplicates Z: 16 27.802 2.150 0.916 0.878 0.933 0.733 CA 1.355 16 residues pruned to eliminate duplicates Z: 11 17.248 1.876 1.047 0.780 0.900 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 14 27.995 1.961 0.950 0.892 1.000 0.846 CB 1.458 14 residues pruned to eliminate duplicates Z: 10 14.313 1.874 0.638 0.792 0.889 0.333 CB 1.353 10 residues pruned to eliminate duplicates Z: 66 57.454 2.211 0.830 0.588 0.969 0.692 CA 1.670 66 residues pruned to eliminate duplicates Z: 8 4.221 1.676 0.394 0.345 1.000 0.286 CA 0.808 Z: 11 18.416 1.933 0.695 0.797 1.000 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 9 15.532 2.066 0.441 0.868 0.875 0.875 CA 1.540 9 residues pruned to eliminate duplicates Z: 8 5.849 1.859 1.003 0.246 0.571 0.286 C 1.393 8 residues pruned to eliminate duplicates Z: 11 21.418 1.838 1.524 0.727 0.800 0.800 CA 1.488 11 residues pruned to eliminate duplicates Z: 15 30.715 1.920 1.150 0.860 1.000 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 44 55.799 2.251 1.034 0.652 0.977 0.744 CB 1.651 44 residues pruned to eliminate duplicates Z: 15 14.514 2.087 0.152 0.816 0.929 0.643 CA 1.320 15 residues pruned to eliminate duplicates Z: 58 63.259 2.272 0.923 0.636 0.982 0.772 CB 1.719 58 residues pruned to eliminate duplicates Z: 12 13.827 1.964 0.290 0.892 0.818 0.636 CA 1.445 12 residues pruned to eliminate duplicates Z: 15 22.569 1.994 0.983 0.814 0.857 0.786 CB 1.355 15 residues pruned to eliminate duplicates Z: 62 58.250 2.215 1.005 0.595 0.918 0.803 CB 1.671 62 residues pruned to eliminate duplicates Z: 16 25.159 2.180 0.965 0.663 0.867 0.800 CB 1.504 16 residues pruned to eliminate duplicates Z: 42 41.094 2.104 1.098 0.625 0.927 0.537 CB 1.394 42 residues pruned to eliminate duplicates Z: 69 65.969 2.238 1.029 0.578 0.971 0.750 CB 1.683 69 residues pruned to eliminate duplicates Z: 15 21.443 2.070 0.602 0.827 1.000 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 63 56.675 2.158 1.053 0.608 0.952 0.694 CB 1.541 63 residues pruned to eliminate duplicates Z: 12 30.076 2.063 1.266 0.919 1.000 0.909 CB 1.367 12 residues pruned to eliminate duplicates Z: 16 23.833 2.012 0.835 0.907 0.933 0.733 CB 1.269 16 residues pruned to eliminate duplicates Z: 6 4.117 1.830 1.159 0.382 0.400 0.400 CB 1.321 6 residues pruned to eliminate duplicates Z: 28 15.358 1.832 0.658 0.317 0.815 0.556 CB 1.462 28 residues pruned to eliminate duplicates Z: 22 27.877 1.894 0.951 0.842 0.905 0.667 CB 1.357 24 residues pruned to eliminate duplicates Z: 15 30.993 2.321 0.687 0.787 0.929 0.571 CB 1.770 15 residues pruned to eliminate duplicates Z: 51 56.270 2.207 1.045 0.635 0.980 0.720 CB 1.585 51 residues pruned to eliminate duplicates Z: 15 26.796 2.042 0.868 0.883 1.000 0.714 CB 1.357 15 residues pruned to eliminate duplicates Z: 16 33.143 2.062 1.201 0.901 1.000 0.867 CB 1.345 16 residues pruned to eliminate duplicates Z: 12 14.425 1.750 1.008 0.798 0.909 0.818 CB 1.049 12 residues pruned to eliminate duplicates Z: 13 36.650 2.158 1.244 0.915 1.000 1.000 CB 1.544 13 residues pruned to eliminate duplicates Z: 16 27.068 1.981 0.957 0.918 0.933 0.800 CB 1.362 16 residues pruned to eliminate duplicates Z: 22 28.342 1.983 0.615 0.896 1.000 0.381 CB 1.383 22 residues pruned to eliminate duplicates Z: 61 65.933 2.215 1.036 0.644 0.983 0.833 CB 1.677 61 residues pruned to eliminate duplicates Z: 12 14.362 1.769 1.073 0.751 0.818 0.364 CB 1.154 12 residues pruned to eliminate duplicates Z: 15 20.011 2.156 0.382 0.787 0.929 0.500 CA 1.502 15 residues pruned to eliminate duplicates Z: 23 18.680 2.022 0.782 0.347 0.864 0.409 CB 1.510 23 residues pruned to eliminate duplicates Z: 14 22.188 2.051 1.015 0.796 0.923 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 16 17.059 1.960 0.516 0.787 0.867 0.600 CA 1.330 16 residues pruned to eliminate duplicates Z: 14 34.054 2.131 0.965 0.937 1.000 1.000 CB 1.569 14 residues pruned to eliminate duplicates Z: 8 15.989 2.104 0.593 0.832 0.857 0.714 CA 1.579 8 residues pruned to eliminate duplicates Z: 66 63.889 2.211 1.069 0.627 0.923 0.692 CB 1.666 66 residues pruned to eliminate duplicates Z: 55 57.314 2.174 0.903 0.668 0.981 0.796 CB 1.645 55 residues pruned to eliminate duplicates Z: 60 55.041 2.168 0.891 0.611 0.949 0.729 CB 1.657 60 residues pruned to eliminate duplicates Z: 64 63.230 2.253 1.063 0.606 0.952 0.778 CB 1.627 64 residues pruned to eliminate duplicates Z: 56 62.273 2.165 1.040 0.660 1.000 0.745 CB 1.639 56 residues pruned to eliminate duplicates Z: 10 17.537 1.951 0.612 0.847 1.000 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 10 22.923 2.226 0.733 0.846 0.889 0.444 CB 1.655 10 residues pruned to eliminate duplicates Z: 32 33.483 2.135 1.160 0.537 0.806 0.581 CB 1.559 67 residues pruned to eliminate duplicates Z: 11 18.551 2.081 1.335 0.440 0.900 0.600 CB 1.427 19 residues pruned to eliminate duplicates Z: 17 32.950 2.132 1.022 0.635 1.000 0.812 CA 1.685 25 residues pruned to eliminate duplicates Z: 15 23.311 1.999 0.749 0.768 1.000 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 12 22.914 2.095 0.815 0.819 0.909 0.545 CA 1.514 12 residues pruned to eliminate duplicates Z: 62 62.220 2.245 1.016 0.594 0.984 0.639 CB 1.636 62 residues pruned to eliminate duplicates Z: 14 30.220 2.164 0.936 0.931 1.000 0.769 CB 1.399 14 residues pruned to eliminate duplicates Z: 15 14.458 1.865 0.465 0.724 0.929 0.643 CB 1.245 15 residues pruned to eliminate duplicates Z: 12 13.426 1.831 0.430 0.752 1.000 0.455 CB 1.234 Z: 11 21.822 2.010 0.946 0.757 1.000 0.500 CB 1.404 10 residues pruned to eliminate duplicates Z: 16 29.440 2.014 1.001 0.930 1.000 0.800 CB 1.319 16 residues pruned to eliminate duplicates Z: 14 24.254 1.877 0.986 0.885 0.923 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 44 30.877 2.023 0.885 0.554 0.930 0.581 CB 1.259 19 residues pruned to eliminate duplicates Z: 13 32.469 2.109 0.962 0.900 1.000 1.000 CA 1.618 13 residues pruned to eliminate duplicates Z: 15 27.066 2.002 1.081 0.947 1.000 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 15 32.246 2.047 1.050 0.945 1.000 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 15 21.449 2.045 0.575 0.766 1.000 0.643 CB 1.406 15 residues pruned to eliminate duplicates Z: 25 20.063 1.811 0.887 0.655 0.750 0.500 CB 1.383 25 residues pruned to eliminate duplicates Z: 23 30.537 1.940 1.019 0.865 0.909 0.727 CB 1.339 23 residues pruned to eliminate duplicates Z: 47 50.083 2.162 1.022 0.627 0.957 0.652 CB 1.568 47 residues pruned to eliminate duplicates Z: 14 22.736 2.016 0.858 0.843 0.923 0.615 CA 1.358 14 residues pruned to eliminate duplicates Z: 64 56.089 2.174 0.945 0.615 0.952 0.778 CB 1.574 64 residues pruned to eliminate duplicates Z: 19 30.166 2.057 1.206 0.514 0.889 0.667 CA 1.739 19 residues pruned to eliminate duplicates Z: 15 26.190 2.131 0.627 0.920 1.000 0.929 CA 1.421 15 residues pruned to eliminate duplicates Z: 43 41.378 2.049 1.056 0.665 0.952 0.714 CB 1.366 43 residues pruned to eliminate duplicates Z: 17 24.880 2.107 0.627 0.815 0.938 0.625 CA 1.472 17 residues pruned to eliminate duplicates Z: 14 27.372 2.099 0.678 0.944 1.000 1.000 CB 1.493 14 residues pruned to eliminate duplicates Z: 15 21.664 2.120 0.410 0.924 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 50 42.665 2.056 0.868 0.593 0.980 0.673 CB 1.482 50 residues pruned to eliminate duplicates Z: 15 37.220 2.175 1.225 0.935 1.000 0.786 CB 1.432 15 residues pruned to eliminate duplicates Z: 36 36.092 2.132 1.013 0.709 0.800 0.543 CB 1.469 34 residues pruned to eliminate duplicates Z: 12 15.004 1.800 0.665 0.792 0.909 0.455 CB 1.286 12 residues pruned to eliminate duplicates Z: 11 36.142 2.117 1.446 0.890 1.000 0.900 CA 1.588 10 residues pruned to eliminate duplicates Z: 8 7.774 1.921 0.853 0.474 0.714 0.571 CA 1.187 Z: 14 16.069 1.990 0.398 0.784 0.923 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 24 28.322 1.900 0.985 0.806 0.913 0.609 CB 1.313 24 residues pruned to eliminate duplicates Z: 15 15.092 2.052 0.271 0.810 0.929 0.786 CA 1.272 15 residues pruned to eliminate duplicates Z: 51 56.931 2.213 1.122 0.627 0.960 0.780 CB 1.585 51 residues pruned to eliminate duplicates Z: 15 30.442 2.260 0.679 0.794 1.000 0.571 CA 1.656 15 residues pruned to eliminate duplicates Z: 37 29.200 2.026 0.823 0.594 0.889 0.556 CB 1.355 37 residues pruned to eliminate duplicates Z: 22 26.062 2.066 1.005 0.745 0.857 0.524 CB 1.286 22 residues pruned to eliminate duplicates Z: 14 19.370 2.067 0.390 0.776 1.000 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 9 17.779 1.966 0.753 0.792 1.000 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 63 58.056 2.166 0.956 0.603 0.968 0.742 CB 1.630 63 residues pruned to eliminate duplicates Z: 11 24.197 2.225 0.970 0.737 0.900 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 6 7.663 1.870 0.274 0.847 1.000 0.600 CB 1.068 6 residues pruned to eliminate duplicates Z: 6 3.977 1.504 0.624 0.650 0.800 0.600 CB 0.791 Z: 23 24.705 1.951 0.639 0.830 0.864 0.409 CB 1.434 23 residues pruned to eliminate duplicates Z: 14 26.791 2.156 0.757 0.913 1.000 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 8 26.199 2.202 1.058 0.844 1.000 0.714 CA 1.627 8 residues pruned to eliminate duplicates Z: 69 56.069 2.177 0.883 0.584 0.926 0.647 CB 1.653 75 residues pruned to eliminate duplicates Z: 11 24.364 1.926 1.284 0.856 1.000 0.600 CB 1.291 10 residues pruned to eliminate duplicates Z: 46 52.307 2.187 0.955 0.659 0.956 0.756 CB 1.646 46 residues pruned to eliminate duplicates Z: 14 23.868 2.048 0.684 0.905 1.000 0.846 CB 1.366 14 residues pruned to eliminate duplicates Z: 65 62.301 2.285 0.969 0.583 0.969 0.750 CB 1.651 65 residues pruned to eliminate duplicates Z: 64 52.304 2.115 0.991 0.610 0.952 0.714 CB 1.481 64 residues pruned to eliminate duplicates Z: 18 34.041 2.108 1.452 0.534 0.882 0.706 CA 1.751 18 residues pruned to eliminate duplicates Z: 15 18.133 2.004 0.506 0.747 0.929 0.571 CA 1.387 15 residues pruned to eliminate duplicates Z: 11 9.613 1.862 0.869 0.250 0.800 0.600 CB 1.455 11 residues pruned to eliminate duplicates Z: 16 13.994 1.955 0.338 0.769 0.800 0.600 CB 1.361 16 residues pruned to eliminate duplicates Z: 12 11.687 1.817 0.410 0.834 0.727 0.545 CA 1.418 12 residues pruned to eliminate duplicates Z: 15 30.189 2.058 0.917 0.929 1.000 0.929 CB 1.431 15 residues pruned to eliminate duplicates Z: 15 33.092 2.017 1.123 0.929 1.000 0.857 CB 1.445 15 residues pruned to eliminate duplicates Z: 15 31.257 2.058 1.065 0.941 1.000 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 13 27.612 2.041 1.004 0.911 0.917 0.833 CA 1.507 13 residues pruned to eliminate duplicates Z: 16 21.678 1.982 0.546 0.895 0.933 0.800 CB 1.403 16 residues pruned to eliminate duplicates Z: 16 16.071 1.863 0.501 0.730 0.933 0.533 CA 1.293 16 residues pruned to eliminate duplicates Z: 14 26.304 2.041 0.736 0.882 1.000 0.923 CB 1.490 14 residues pruned to eliminate duplicates Z: 15 26.086 2.033 0.876 0.731 1.000 0.571 CB 1.485 15 residues pruned to eliminate duplicates Z: 14 27.318 2.033 0.934 0.919 1.000 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 12 5.528 1.628 0.511 0.426 0.818 0.455 CB 0.894 7 residues pruned to eliminate duplicates Z: 7 3.974 1.654 0.676 0.347 0.833 0.500 CB 0.829 Z: 14 22.461 1.928 1.126 0.857 1.000 0.538 CB 1.120 14 residues pruned to eliminate duplicates Z: 16 26.879 1.939 0.978 0.847 0.933 0.733 CA 1.440 16 residues pruned to eliminate duplicates Z: 17 18.569 1.928 0.404 0.882 0.938 0.812 CB 1.324 17 residues pruned to eliminate duplicates Z: 17 30.435 2.197 0.978 0.607 1.000 0.875 CB 1.581 17 residues pruned to eliminate duplicates Z: 32 37.368 2.068 1.113 0.673 0.968 0.645 CB 1.354 32 residues pruned to eliminate duplicates Z: 6 2.714 1.540 0.326 0.430 0.600 0.600 C 1.066 7 residues pruned to eliminate duplicates Z: 15 26.464 2.135 0.849 0.905 0.929 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 30 45.488 2.248 1.111 0.673 0.966 0.862 CB 1.571 30 residues pruned to eliminate duplicates Z: 14 32.441 2.104 1.044 0.948 1.000 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 33 36.059 2.079 1.262 0.622 0.875 0.625 CB 1.380 33 residues pruned to eliminate duplicates Z: 13 31.164 2.081 1.191 0.739 1.000 0.667 CB 1.593 12 residues pruned to eliminate duplicates Z: 13 30.963 2.061 1.268 0.906 0.917 0.917 CB 1.484 13 residues pruned to eliminate duplicates Z: 13 29.053 2.081 1.123 0.859 1.000 0.500 CB 1.397 13 residues pruned to eliminate duplicates Z: 70 60.422 2.228 1.082 0.601 0.913 0.681 CB 1.559 70 residues pruned to eliminate duplicates Z: 7 2.886 1.723 0.071 0.644 0.667 0.333 CB 0.837 Z: 8 12.636 1.961 0.501 0.858 0.857 0.714 CA 1.394 8 residues pruned to eliminate duplicates Z: 9 11.610 1.794 0.655 0.698 1.000 0.625 CA 1.154 9 residues pruned to eliminate duplicates Z: 18 15.358 1.837 0.991 0.397 0.882 0.471 CB 1.287 18 residues pruned to eliminate duplicates Z: 16 22.618 2.013 0.572 0.882 1.000 0.800 CB 1.336 16 residues pruned to eliminate duplicates Z: 21 26.619 2.150 0.966 0.472 0.900 0.600 CB 1.609 21 residues pruned to eliminate duplicates Z: 16 32.023 1.991 1.195 0.942 1.000 0.600 CB 1.312 16 residues pruned to eliminate duplicates Z: 44 48.523 2.121 1.133 0.670 0.953 0.698 CB 1.466 44 residues pruned to eliminate duplicates Z: 13 24.195 2.145 0.831 0.857 1.000 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 13 24.687 2.017 1.510 0.679 0.833 0.750 CB 1.433 13 residues pruned to eliminate duplicates Z: 16 30.748 1.997 1.196 0.927 1.000 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 16 28.048 2.129 0.980 0.594 0.933 0.800 CA 1.682 16 residues pruned to eliminate duplicates Z: 15 20.757 2.079 0.567 0.770 0.929 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 14 31.936 2.111 0.917 0.926 1.000 0.769 CB 1.534 14 residues pruned to eliminate duplicates Z: 11 18.856 1.942 0.775 0.880 0.900 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 15 17.914 1.921 0.609 0.782 0.857 0.571 CB 1.409 15 residues pruned to eliminate duplicates Z: 64 56.875 2.125 0.921 0.613 0.984 0.778 CB 1.603 64 residues pruned to eliminate duplicates Z: 33 23.934 1.974 0.951 0.553 0.875 0.594 CB 1.192 62 residues pruned to eliminate duplicates Z: 12 6.099 1.719 0.439 0.305 0.909 0.364 CB 1.016 12 residues pruned to eliminate duplicates Z: 24 36.988 2.097 1.128 0.811 0.913 0.652 CB 1.444 24 residues pruned to eliminate duplicates Z: 69 51.126 2.147 0.898 0.562 0.941 0.691 CB 1.521 69 residues pruned to eliminate duplicates Z: 6 6.109 1.766 0.173 0.578 0.800 0.800 C 1.529 Z: 15 30.800 2.011 1.079 0.948 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 15 27.463 1.952 1.020 0.863 0.929 0.643 CB 1.470 Z: 16 32.109 2.092 1.349 0.691 0.933 0.733 CB 1.517 16 residues pruned to eliminate duplicates Z: 12 21.560 1.992 0.935 0.727 1.000 0.818 CB 1.375 12 residues pruned to eliminate duplicates Z: 24 30.322 1.927 0.850 0.872 0.957 0.652 CB 1.351 24 residues pruned to eliminate duplicates Z: 16 29.675 1.983 0.999 0.885 1.000 0.867 CB 1.396 16 residues pruned to eliminate duplicates Z: 6 10.914 1.932 0.722 0.805 1.000 0.800 CA 1.124 6 residues pruned to eliminate duplicates Z: 9 9.388 1.968 0.389 0.839 0.625 0.625 CA 1.450 9 residues pruned to eliminate duplicates Z: 15 25.255 1.888 0.970 0.844 1.000 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 15 24.178 2.095 1.081 0.781 0.929 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 15 11.054 1.818 0.576 0.315 0.857 0.571 CA 1.476 15 residues pruned to eliminate duplicates Z: 14 20.820 2.158 0.896 0.486 0.923 0.538 CB 1.550 14 residues pruned to eliminate duplicates Z: 22 18.942 2.081 0.937 0.341 0.857 0.476 CB 1.423 29 residues pruned to eliminate duplicates Z: 15 21.222 2.121 0.594 0.755 0.929 0.429 CA 1.439 15 residues pruned to eliminate duplicates 6 1.836 1.554 0.060 0.476 0.800 0.800 CB 0.638 ? Z: 22 25.417 1.943 0.791 0.867 0.857 0.762 CB 1.360 14 residues pruned to eliminate duplicates Z: 13 23.061 2.137 1.182 0.743 0.833 0.833 CB 1.378 13 residues pruned to eliminate duplicates Z: 7 12.982 2.056 0.298 0.829 1.000 0.667 CA 1.494 7 residues pruned to eliminate duplicates Z: 58 56.538 2.159 1.121 0.656 0.947 0.754 CB 1.493 59 residues pruned to eliminate duplicates Z: 15 31.722 2.088 0.938 0.920 1.000 0.714 CB 1.476 15 residues pruned to eliminate duplicates Z: 18 20.944 2.059 0.695 0.500 0.941 0.706 CB 1.547 18 residues pruned to eliminate duplicates Z: 12 7.609 1.827 0.647 0.402 0.818 0.364 CB 1.033 Z: 29 32.019 2.042 0.962 0.597 0.929 0.643 CB 1.482 29 residues pruned to eliminate duplicates Z: 27 21.933 1.968 0.803 0.617 0.846 0.615 CB 1.283 27 residues pruned to eliminate duplicates Z: 17 21.180 1.882 1.185 0.550 0.812 0.688 CA 1.509 17 residues pruned to eliminate duplicates Z: 55 59.095 2.195 1.033 0.681 0.926 0.722 CB 1.648 55 residues pruned to eliminate duplicates Z: 6 2.813 1.545 0.106 0.531 1.000 0.800 CB 0.714 6 residues pruned to eliminate duplicates Z: 13 24.239 2.069 0.871 0.907 1.000 0.917 CB 1.284 13 residues pruned to eliminate duplicates Z: 14 20.105 1.993 0.482 0.893 1.000 0.846 CB 1.355 14 residues pruned to eliminate duplicates Z: 15 30.558 2.010 1.021 0.913 1.000 0.786 CB 1.423 15 residues pruned to eliminate duplicates Z: 46 43.508 2.110 1.123 0.659 0.889 0.644 CB 1.406 47 residues pruned to eliminate duplicates Z: 11 14.703 2.045 0.315 0.880 0.900 0.800 CA 1.393 11 residues pruned to eliminate duplicates Z: 10 11.203 1.897 0.347 0.438 1.000 0.667 CA 1.558 10 residues pruned to eliminate duplicates Z: 46 44.180 2.149 0.865 0.651 0.956 0.711 CB 1.494 46 residues pruned to eliminate duplicates Z: 18 27.742 2.143 0.897 0.510 1.000 0.647 CB 1.639 18 residues pruned to eliminate duplicates Z: 13 20.539 2.111 0.631 0.821 1.000 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 9 4.743 1.841 0.635 0.359 0.500 0.250 CA 1.296 9 residues pruned to eliminate duplicates Z: 6 4.434 1.675 0.037 0.631 0.800 0.600 CB 1.261 Z: 7 10.680 1.881 0.935 0.506 1.000 0.667 CB 1.191 7 residues pruned to eliminate duplicates Z: 23 28.538 1.885 0.974 0.861 0.909 0.682 CB 1.321 23 residues pruned to eliminate duplicates Z: 14 30.524 2.023 0.881 0.891 1.000 0.538 CA 1.599 14 residues pruned to eliminate duplicates Z: 12 9.590 1.842 0.773 0.463 0.727 0.545 CA 1.264 12 residues pruned to eliminate duplicates Z: 14 36.113 2.205 1.289 0.947 1.000 0.923 CB 1.371 14 residues pruned to eliminate duplicates Z: 62 66.445 2.273 1.023 0.617 0.984 0.672 CB 1.685 62 residues pruned to eliminate duplicates Z: 15 31.020 2.048 1.426 0.624 0.929 0.714 CA 1.599 15 residues pruned to eliminate duplicates Z: 15 40.340 2.184 1.311 0.952 1.000 0.929 CB 1.472 15 residues pruned to eliminate duplicates Z: 36 35.636 2.057 1.004 0.691 0.886 0.629 CB 1.386 36 residues pruned to eliminate duplicates Z: 9 35.710 2.155 1.541 0.842 1.000 0.875 CB 1.719 11 residues pruned to eliminate duplicates Z: 15 22.426 2.080 0.674 0.864 1.000 0.714 CB 1.262 15 residues pruned to eliminate duplicates Z: 10 6.288 1.479 0.463 0.597 0.889 0.889 N 0.992 10 residues pruned to eliminate duplicates Z: 55 51.054 2.208 0.768 0.632 0.981 0.741 CB 1.602 55 residues pruned to eliminate duplicates Z: 15 23.701 2.052 0.796 0.812 0.929 0.571 CB 1.411 15 residues pruned to eliminate duplicates Z: 53 47.527 2.129 1.061 0.574 0.904 0.577 CA 1.547 53 residues pruned to eliminate duplicates Z: 16 18.378 1.902 0.594 0.791 0.933 0.600 CB 1.298 16 residues pruned to eliminate duplicates Z: 12 18.875 1.964 0.419 0.838 1.000 0.727 CA 1.526 12 residues pruned to eliminate duplicates Z: 6 2.714 1.519 -0.065 0.557 1.000 0.800 CB 0.809 Z: 15 29.354 2.026 1.027 0.941 1.000 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 52 57.216 2.163 1.105 0.716 0.961 0.804 CB 1.506 52 residues pruned to eliminate duplicates Z: 7 4.908 1.622 0.030 0.576 1.000 0.667 CB 1.114 Z: 8 12.582 1.947 0.686 0.882 0.857 0.857 CA 1.223 8 residues pruned to eliminate duplicates Z: 11 14.236 1.880 0.854 0.522 1.000 0.500 CB 1.263 11 residues pruned to eliminate duplicates Z: 54 41.178 2.099 1.044 0.554 0.943 0.491 CB 1.326 54 residues pruned to eliminate duplicates Z: 39 32.939 2.015 0.632 0.686 0.947 0.816 CB 1.446 39 residues pruned to eliminate duplicates Z: 55 61.241 2.195 1.039 0.688 0.981 0.741 CB 1.597 55 residues pruned to eliminate duplicates Z: 70 51.780 2.149 0.841 0.557 0.971 0.710 CB 1.536 70 residues pruned to eliminate duplicates Z: 11 13.448 1.854 0.766 0.770 0.900 0.600 CB 1.137 11 residues pruned to eliminate duplicates Z: 23 36.873 1.991 0.956 0.883 0.955 0.682 CB 1.529 24 residues pruned to eliminate duplicates Z: 11 28.065 2.081 1.198 0.717 1.000 0.900 CB 1.594 11 residues pruned to eliminate duplicates Z: 12 7.025 1.549 0.070 0.558 1.000 0.909 C 1.207 Z: 51 64.209 2.286 0.942 0.706 0.980 0.800 CB 1.731 51 residues pruned to eliminate duplicates Z: 9 6.306 1.661 0.301 0.396 0.875 0.500 CB 1.317 Z: 13 16.333 2.062 0.517 0.751 0.750 0.583 CA 1.606 13 residues pruned to eliminate duplicates Z: 14 9.613 1.700 0.461 0.392 0.923 0.308 CB 1.305 14 residues pruned to eliminate duplicates Z: 38 41.005 2.064 0.948 0.695 0.919 0.703 CB 1.527 38 residues pruned to eliminate duplicates Z: 6 5.157 1.730 0.118 0.334 1.000 0.600 CB 1.430 Z: 18 16.668 1.860 0.876 0.425 0.941 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 8 8.675 1.456 0.648 0.787 1.000 0.857 CB 1.061 8 residues pruned to eliminate duplicates Z: 18 26.923 2.112 1.185 0.486 0.882 0.647 CB 1.627 18 residues pruned to eliminate duplicates Z: 25 27.591 1.932 0.905 0.789 0.917 0.625 CB 1.296 25 residues pruned to eliminate duplicates Z: 6 5.724 1.497 0.576 0.398 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 13 16.868 1.794 0.535 0.840 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 12 16.078 2.108 0.576 0.667 1.000 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 7 5.591 1.849 -0.243 0.714 1.000 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 15 14.838 1.811 0.771 0.697 0.857 0.500 CB 1.205 15 residues pruned to eliminate duplicates Z: 14 28.415 2.052 1.153 0.904 0.923 0.769 CB 1.376 14 residues pruned to eliminate duplicates Z: 33 44.365 2.165 1.178 0.619 0.938 0.750 CA 1.585 33 residues pruned to eliminate duplicates Z: 68 51.057 2.191 0.814 0.551 0.925 0.701 CB 1.613 68 residues pruned to eliminate duplicates Z: 11 23.929 2.171 0.792 0.845 0.900 0.500 CA 1.606 11 residues pruned to eliminate duplicates Z: 60 58.794 2.164 0.901 0.640 0.983 0.695 CA 1.661 60 residues pruned to eliminate duplicates Z: 121 87.462 2.218 1.021 0.619 0.950 0.733 CB 1.675 121 residues pruned to eliminate duplicates Z: 57 59.750 2.214 0.904 0.657 0.982 0.839 CB 1.666 57 residues pruned to eliminate duplicates Z: 15 13.112 1.885 0.367 0.416 0.929 0.571 CB 1.599 15 residues pruned to eliminate duplicates Z: 23 25.624 2.048 1.055 0.739 0.773 0.591 CB 1.356 23 residues pruned to eliminate duplicates Z: 15 25.407 2.003 0.850 0.931 1.000 0.643 CB 1.281 15 residues pruned to eliminate duplicates Z: 53 65.377 2.284 1.033 0.682 1.000 0.712 CB 1.653 53 residues pruned to eliminate duplicates Z: 64 65.291 2.234 1.124 0.617 0.921 0.714 CB 1.685 64 residues pruned to eliminate duplicates Z: 20 11.134 1.775 0.678 0.391 0.842 0.421 CB 1.143 21 residues pruned to eliminate duplicates Z: 6 11.173 1.901 0.538 0.858 1.000 0.600 CB 1.259 6 residues pruned to eliminate duplicates Z: 7 6.819 1.859 -0.094 0.759 1.000 0.500 N 1.314 Z: 18 28.953 2.025 1.186 0.524 0.941 0.529 CA 1.646 18 residues pruned to eliminate duplicates Z: 8 2.754 1.477 0.025 0.346 0.714 0.286 CB 1.137 Z: 14 15.718 2.012 0.261 0.800 1.000 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 49 47.245 2.092 1.009 0.584 0.938 0.562 CA 1.597 49 residues pruned to eliminate duplicates Z: 9 5.414 1.793 0.638 0.137 0.750 0.500 CB 1.365 9 residues pruned to eliminate duplicates Z: 16 24.866 2.029 0.681 0.793 1.000 0.467 CA 1.456 16 residues pruned to eliminate duplicates Z: 9 13.846 1.818 0.587 0.902 1.000 0.875 CA 1.211 9 residues pruned to eliminate duplicates Z: 6 2.379 1.517 0.529 0.413 0.600 0.400 CB 0.837 6 residues pruned to eliminate duplicates Z: 7 4.876 1.774 -0.131 0.568 1.000 0.667 CB 1.209 7 residues pruned to eliminate duplicates Z: 19 21.074 2.042 0.747 0.493 0.944 0.611 CB 1.484 19 residues pruned to eliminate duplicates Z: 7 10.538 1.827 0.545 0.636 1.000 1.000 CB 1.342 7 residues pruned to eliminate duplicates Z: 7 8.691 1.860 0.739 0.673 1.000 0.667 N 0.936 Z: 49 47.807 2.113 0.892 0.660 0.979 0.708 CB 1.520 49 residues pruned to eliminate duplicates Z: 15 13.455 1.904 0.647 0.633 0.857 0.643 CB 1.181 15 residues pruned to eliminate duplicates Z: 16 28.595 2.188 0.679 0.815 1.000 0.600 CA 1.529 16 residues pruned to eliminate duplicates Z: 18 30.740 2.209 1.153 0.498 0.882 0.765 CB 1.780 18 residues pruned to eliminate duplicates Z: 64 55.836 2.195 0.927 0.570 0.968 0.651 CB 1.605 70 residues pruned to eliminate duplicates Z: 14 26.878 2.084 0.731 0.869 1.000 0.692 CB 1.509 14 residues pruned to eliminate duplicates Z: 11 9.323 1.852 0.514 0.481 0.900 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 9 18.254 1.896 0.821 0.840 1.000 0.750 CB 1.395 9 residues pruned to eliminate duplicates Z: 11 7.006 1.548 0.212 0.813 0.900 0.500 CA 1.000 11 residues pruned to eliminate duplicates Z: 12 35.113 2.175 1.602 0.854 1.000 0.909 CB 1.382 12 residues pruned to eliminate duplicates Z: 15 18.210 1.879 0.608 0.819 0.929 0.643 CB 1.315 15 residues pruned to eliminate duplicates Z: 12 12.390 1.740 0.336 0.778 1.000 0.636 CB 1.258 11 residues pruned to eliminate duplicates Z: 21 33.645 2.182 1.028 0.611 0.950 0.800 CB 1.611 55 residues pruned to eliminate duplicates 6 1.759 1.600 -0.214 0.635 0.800 0.800 CB 0.689 ? Z: 6 4.850 1.358 1.316 0.490 0.800 0.400 C 0.870 6 residues pruned to eliminate duplicates Z: 14 23.614 2.027 0.560 0.932 1.000 0.923 CB 1.446 14 residues pruned to eliminate duplicates Z: 59 53.726 2.131 1.100 0.595 0.948 0.638 CB 1.519 59 residues pruned to eliminate duplicates Z: 61 58.449 2.185 1.011 0.639 0.933 0.700 CA 1.615 61 residues pruned to eliminate duplicates Z: 15 21.457 1.974 0.386 0.949 1.000 1.000 CB 1.447 15 residues pruned to eliminate duplicates Z: 67 66.188 2.249 1.092 0.578 0.985 0.788 CB 1.630 67 residues pruned to eliminate duplicates Z: 8 5.594 1.391 0.858 0.348 1.000 0.714 C 0.965 Z: 12 28.802 2.202 0.929 0.898 0.909 0.727 CB 1.608 Z: 16 28.327 2.096 1.279 0.648 0.933 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 15 22.675 1.926 1.152 0.759 0.857 0.786 CB 1.355 13 residues pruned to eliminate duplicates Z: 58 46.541 2.123 0.791 0.586 0.947 0.649 CB 1.576 58 residues pruned to eliminate duplicates Z: 9 3.408 1.413 0.593 0.280 0.625 0.625 CB 1.098 Z: 6 4.696 1.619 0.072 0.673 1.000 0.600 CB 1.032 Z: 6 8.265 1.792 0.621 0.614 0.800 0.600 CA 1.428 6 residues pruned to eliminate duplicates Z: 12 20.482 1.961 1.083 0.635 0.909 0.818 CA 1.465 12 residues pruned to eliminate duplicates Z: 48 58.365 2.214 1.177 0.651 0.979 0.702 CB 1.569 48 residues pruned to eliminate duplicates Z: 32 46.939 2.171 1.173 0.623 0.968 0.710 CA 1.644 32 residues pruned to eliminate duplicates Z: 8 5.497 1.805 -0.302 0.751 1.000 0.714 CB 1.319 Z: 9 3.289 1.342 0.687 0.160 0.750 0.500 N 1.038 Z: 113 88.826 2.243 1.086 0.639 0.955 0.777 CB 1.648 113 residues pruned to eliminate duplicates Z: 61 55.861 2.175 0.877 0.618 0.950 0.683 CB 1.663 61 residues pruned to eliminate duplicates Z: 104 80.558 2.215 1.176 0.620 0.932 0.689 CB 1.577 104 residues pruned to eliminate duplicates Z: 15 26.712 2.123 0.957 0.882 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 24 32.571 2.084 1.080 0.575 0.913 0.826 CB 1.596 24 residues pruned to eliminate duplicates Z: 33 22.941 1.972 0.872 0.440 0.812 0.469 CB 1.439 45 residues pruned to eliminate duplicates Z: 21 31.394 2.099 0.971 0.510 1.000 0.700 CB 1.681 21 residues pruned to eliminate duplicates Z: 15 34.565 2.212 1.243 0.590 1.000 0.857 CB 1.708 15 residues pruned to eliminate duplicates Z: 17 19.315 1.831 0.959 0.883 0.812 0.750 CB 1.198 17 residues pruned to eliminate duplicates Z: 11 13.408 1.976 0.403 0.458 1.000 0.800 CA 1.597 11 residues pruned to eliminate duplicates Z: 6 2.259 1.204 0.458 0.396 0.800 0.600 CB 0.802 Z: 39 37.834 2.090 0.953 0.632 0.947 0.605 CB 1.402 39 residues pruned to eliminate duplicates Z: 7 3.262 1.439 -0.117 0.655 1.000 0.667 N 0.907 Z: 25 33.608 2.251 0.755 0.533 1.000 0.792 CB 1.682 25 residues pruned to eliminate duplicates Z: 29 33.193 2.029 1.285 0.653 0.893 0.679 CB 1.314 29 residues pruned to eliminate duplicates Z: 44 48.565 2.220 1.027 0.604 0.930 0.814 CB 1.603 44 residues pruned to eliminate duplicates Z: 9 2.880 1.673 -0.084 0.265 0.875 0.500 CB 0.993 8 residues pruned to eliminate duplicates Z: 12 17.981 1.894 0.795 0.881 1.000 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 43 56.346 2.276 1.040 0.647 0.976 0.738 CB 1.672 43 residues pruned to eliminate duplicates Z: 13 13.148 1.939 0.336 0.833 0.833 0.750 CB 1.318 13 residues pruned to eliminate duplicates Z: 48 52.368 2.232 0.955 0.640 0.957 0.787 CB 1.604 48 residues pruned to eliminate duplicates Z: 16 28.813 2.020 0.903 0.910 1.000 0.467 CB 1.372 16 residues pruned to eliminate duplicates Z: 10 8.456 1.881 0.554 0.254 0.889 0.556 CB 1.439 Z: 7 13.846 2.020 1.046 0.495 1.000 0.833 CA 1.375 7 residues pruned to eliminate duplicates Z: 14 20.445 2.213 0.697 0.750 0.769 0.462 CB 1.571 14 residues pruned to eliminate duplicates Z: 14 23.716 2.042 0.899 0.733 1.000 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 8 10.950 1.795 0.934 0.749 1.000 0.857 N 0.954 Z: 6 5.653 1.831 -0.120 0.807 1.000 0.600 CB 1.201 6 residues pruned to eliminate duplicates Z: 45 47.991 2.199 1.174 0.597 0.886 0.705 CB 1.556 45 residues pruned to eliminate duplicates Z: 33 41.526 2.224 0.917 0.548 0.938 0.594 CB 1.753 33 residues pruned to eliminate duplicates Z: 76 70.823 2.236 1.195 0.597 0.947 0.733 CB 1.605 76 residues pruned to eliminate duplicates Z: 8 4.726 1.674 1.023 0.163 0.714 0.429 CB 1.114 8 residues pruned to eliminate duplicates Z: 6 5.286 1.852 -0.312 0.720 1.000 0.400 CB 1.520 6 residues pruned to eliminate duplicates Z: 18 17.968 1.783 1.056 0.574 0.882 0.588 CB 1.255 18 residues pruned to eliminate duplicates Z: 7 4.652 1.571 -0.028 0.611 1.000 0.167 CB 1.120 6 residues pruned to eliminate duplicates Z: 17 15.576 2.034 0.630 0.411 0.812 0.438 CB 1.588 17 residues pruned to eliminate duplicates Z: 7 2.586 1.326 0.468 0.292 1.000 0.500 C 0.685 7 residues pruned to eliminate duplicates Z: 10 4.459 1.573 0.182 0.408 0.778 0.333 CA 1.131 Z: 9 3.697 1.571 0.520 0.122 0.750 0.375 CB 1.172 7 residues pruned to eliminate duplicates Z: 39 47.209 2.193 1.144 0.594 0.974 0.789 CB 1.529 39 residues pruned to eliminate duplicates Z: 49 49.237 2.079 1.064 0.626 0.979 0.750 CB 1.502 49 residues pruned to eliminate duplicates Z: 16 24.731 1.993 1.160 0.860 0.933 0.667 CB 1.169 16 residues pruned to eliminate duplicates Z: 26 44.542 2.162 1.223 0.750 1.000 0.800 CB 1.482 26 residues pruned to eliminate duplicates Z: 14 32.647 2.103 1.104 0.899 1.000 0.462 CB 1.463 14 residues pruned to eliminate duplicates Z: 46 62.440 2.269 1.262 0.629 0.978 0.778 CB 1.642 46 residues pruned to eliminate duplicates Z: 64 53.159 2.172 0.883 0.557 0.968 0.667 CB 1.600 64 residues pruned to eliminate duplicates Z: 9 16.348 1.974 0.576 0.900 1.000 0.875 CA 1.327 Z: 9 19.555 1.948 0.945 0.879 1.000 0.750 CA 1.323 9 residues pruned to eliminate duplicates Z: 14 14.479 1.850 1.248 0.509 0.692 0.692 CB 1.383 14 residues pruned to eliminate duplicates Z: 32 36.670 2.142 0.965 0.524 0.935 0.710 CA 1.634 30 residues pruned to eliminate duplicates Z: 57 64.048 2.251 0.985 0.648 1.000 0.786 CB 1.669 61 residues pruned to eliminate duplicates Z: 6 2.952 1.600 -0.159 0.748 0.800 0.800 N 0.983 Z: 6 3.757 1.572 -0.225 0.732 1.000 0.800 CB 1.119 8 1.461 1.432 -0.281 0.726 0.857 0.857 CB 0.510 ? Z: 64 56.309 2.147 0.904 0.591 0.968 0.667 CA 1.643 74 residues pruned to eliminate duplicates Z: 7 9.829 1.744 1.293 0.598 1.000 0.667 CB 0.914 Z: 7 2.838 1.422 0.269 0.261 0.833 0.500 CA 1.011 7 residues pruned to eliminate duplicates Z: 65 58.290 2.237 0.890 0.574 0.953 0.734 CB 1.683 65 residues pruned to eliminate duplicates Z: 46 47.880 2.061 0.982 0.675 0.978 0.644 CA 1.521 46 residues pruned to eliminate duplicates Z: 65 49.225 2.141 0.883 0.575 0.953 0.672 CB 1.489 65 residues pruned to eliminate duplicates Z: 12 4.016 1.478 0.177 0.318 0.727 0.455 CB 1.170 6 residues pruned to eliminate duplicates Z: 9 9.059 1.942 0.593 0.527 0.875 0.500 CB 1.152 16 residues pruned to eliminate duplicates Z: 6 2.866 1.493 0.047 0.484 0.800 0.600 CB 1.042 4 residues pruned to eliminate duplicates Z: 55 68.478 2.265 1.100 0.703 0.981 0.833 CB 1.660 55 residues pruned to eliminate duplicates Z: 8 2.416 1.483 -0.093 0.246 1.000 0.429 CB 0.910 Z: 32 46.823 2.164 1.327 0.716 0.935 0.742 CB 1.468 32 residues pruned to eliminate duplicates Z: 22 19.511 1.973 1.118 0.421 0.762 0.571 CB 1.452 22 residues pruned to eliminate duplicates Z: 6 5.521 1.908 0.751 0.634 0.800 0.800 CB 0.815 Z: 9 10.525 1.852 0.213 0.902 1.000 1.000 CA 1.181 9 residues pruned to eliminate duplicates Z: 44 48.892 2.156 1.024 0.617 0.977 0.767 CB 1.566 44 residues pruned to eliminate duplicates 473 residues left after pruning, divided into chains as follows: A: 37 B: 203 C: 16 D: 16 E: 66 F: 9 G: 126 CC for partial structure against native data = 38.89 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.439, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.515, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.609, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.619, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.629, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.632, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.635, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.636, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.637, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.637, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4111 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 866 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 66 60.802 2.274 0.930 0.574 0.938 0.754 CB 1.706 B: 67 61.066 2.255 0.910 0.575 0.939 0.758 CB 1.727 67 residues pruned to eliminate duplicates C: 18 26.310 2.166 0.854 0.539 0.941 0.588 CB 1.626 D: 69 72.089 2.329 1.059 0.586 0.971 0.706 CB 1.730 E: 15 27.177 1.988 0.804 0.874 1.000 0.714 CA 1.474 F: 31 38.548 2.259 1.158 0.586 0.800 0.433 CB 1.661 G: 62 68.571 2.343 1.009 0.592 0.951 0.754 CB 1.796 62 residues pruned to eliminate duplicates H: 7 10.395 2.024 0.469 0.820 0.833 0.667 CA 1.298 I: 18 25.804 2.077 0.765 0.762 0.824 0.529 CA 1.643 18 residues pruned to eliminate duplicates J: 15 25.135 2.223 0.551 0.821 0.929 0.500 CA 1.588 15 residues pruned to eliminate duplicates K: 16 27.129 2.058 1.117 0.565 0.867 0.733 C 1.743 17 residues pruned to eliminate duplicates L: 66 67.669 2.334 1.010 0.583 0.969 0.631 CA 1.706 7 residues pruned to eliminate duplicates M: 31 38.647 2.221 1.085 0.525 0.867 0.600 CB 1.715 N: 16 28.816 2.291 0.685 0.737 0.867 0.467 CA 1.797 16 residues pruned to eliminate duplicates O: 64 64.852 2.289 0.942 0.576 0.968 0.683 CB 1.764 64 residues pruned to eliminate duplicates P: 63 62.287 2.325 0.892 0.580 0.935 0.726 CB 1.780 65 residues pruned to eliminate duplicates Q: 92 79.033 2.286 1.136 0.629 0.912 0.648 CB 1.647 96 residues pruned to eliminate duplicates R: 61 56.506 2.217 0.851 0.617 0.967 0.683 CB 1.647 17 residues pruned to eliminate duplicates S: 65 63.585 2.297 0.931 0.585 0.953 0.688 CB 1.733 65 residues pruned to eliminate duplicates T: 36 41.050 2.088 1.105 0.683 0.857 0.571 CA 1.557 27 residues pruned to eliminate duplicates U: 44 33.282 2.043 0.961 0.578 0.884 0.488 CB 1.330 38 residues pruned to eliminate duplicates V: 64 70.931 2.355 1.036 0.613 0.968 0.730 CA 1.729 64 residues pruned to eliminate duplicates W: 62 55.533 2.255 0.821 0.595 0.951 0.672 CB 1.663 62 residues pruned to eliminate duplicates X: 30 41.301 2.298 1.164 0.668 0.828 0.655 CB 1.596 31 residues pruned to eliminate duplicates Y: 14 25.062 2.043 0.840 0.855 0.923 0.769 CA 1.479 14 residues pruned to eliminate duplicates Z: 16 26.682 2.198 0.713 0.824 0.867 0.467 CA 1.594 16 residues pruned to eliminate duplicates Z: 14 32.175 2.089 0.915 0.888 1.000 0.846 CA 1.607 14 residues pruned to eliminate duplicates Z: 39 38.675 2.059 0.953 0.641 0.868 0.553 CB 1.576 39 residues pruned to eliminate duplicates Z: 60 57.310 2.249 0.822 0.626 0.983 0.678 CB 1.645 61 residues pruned to eliminate duplicates Z: 121 91.281 2.315 0.986 0.625 0.950 0.708 CB 1.695 129 residues pruned to eliminate duplicates Z: 14 26.463 2.153 1.024 0.820 1.000 0.692 CB 1.276 14 residues pruned to eliminate duplicates Z: 62 59.616 2.274 0.920 0.591 0.984 0.607 CB 1.630 60 residues pruned to eliminate duplicates Z: 61 68.353 2.305 1.083 0.604 0.950 0.700 CB 1.752 61 residues pruned to eliminate duplicates Z: 63 66.285 2.365 0.912 0.607 0.952 0.710 CB 1.768 63 residues pruned to eliminate duplicates Z: 163 98.222 2.278 1.021 0.628 0.901 0.654 CB 1.649 124 residues pruned to eliminate duplicates Z: 75 55.510 2.214 0.868 0.535 0.919 0.608 CB 1.640 75 residues pruned to eliminate duplicates Z: 62 58.138 2.226 0.933 0.599 0.967 0.754 CB 1.627 58 residues pruned to eliminate duplicates Z: 14 29.161 2.187 1.213 0.677 0.846 0.615 CA 1.677 13 residues pruned to eliminate duplicates Z: 67 63.258 2.297 0.913 0.572 0.970 0.727 CB 1.705 67 residues pruned to eliminate duplicates Z: 16 24.952 2.096 0.501 0.903 1.000 0.800 CA 1.460 16 residues pruned to eliminate duplicates Z: 61 54.851 2.231 0.852 0.608 1.000 0.667 CB 1.547 61 residues pruned to eliminate duplicates Z: 32 46.383 2.278 1.205 0.641 0.903 0.516 CB 1.609 32 residues pruned to eliminate duplicates Z: 57 62.160 2.349 0.875 0.630 0.964 0.679 CB 1.730 57 residues pruned to eliminate duplicates Z: 15 29.918 2.139 0.685 0.938 1.000 0.929 CB 1.542 15 residues pruned to eliminate duplicates Z: 8 20.480 2.121 0.847 0.876 1.000 0.714 CA 1.436 8 residues pruned to eliminate duplicates Z: 14 30.155 2.052 0.915 0.898 1.000 0.769 CA 1.522 Z: 12 27.297 2.101 1.669 0.670 0.909 0.818 CB 1.380 Z: 14 38.463 2.163 1.321 0.925 1.000 0.923 CB 1.491 Z: 21 35.597 2.136 1.205 0.575 0.950 0.650 CB 1.656 21 residues pruned to eliminate duplicates Z: 67 69.117 2.304 1.041 0.587 0.970 0.652 CB 1.716 67 residues pruned to eliminate duplicates Z: 16 27.308 2.125 0.513 0.896 1.000 0.867 CA 1.571 16 residues pruned to eliminate duplicates Z: 67 66.094 2.318 0.997 0.589 0.955 0.727 CA 1.692 67 residues pruned to eliminate duplicates Z: 62 60.422 2.231 0.946 0.621 0.967 0.754 CB 1.643 62 residues pruned to eliminate duplicates Z: 15 33.516 2.033 1.052 0.900 1.000 0.929 CB 1.533 15 residues pruned to eliminate duplicates Z: 15 28.541 2.365 0.674 0.783 0.857 0.500 CA 1.752 15 residues pruned to eliminate duplicates Z: 68 61.847 2.267 1.002 0.594 0.955 0.731 CB 1.593 64 residues pruned to eliminate duplicates Z: 63 47.170 2.071 0.742 0.628 0.968 0.645 CB 1.522 63 residues pruned to eliminate duplicates Z: 27 35.051 2.172 1.171 0.685 0.808 0.615 CB 1.523 15 residues pruned to eliminate duplicates Z: 38 42.671 2.166 1.110 0.679 0.865 0.676 CB 1.505 26 residues pruned to eliminate duplicates Z: 8 4.321 1.873 1.058 0.258 0.571 0.429 CB 0.979 6 residues pruned to eliminate duplicates Z: 43 43.288 2.098 1.028 0.663 0.881 0.619 CB 1.533 36 residues pruned to eliminate duplicates Z: 16 25.743 2.097 0.464 0.932 1.000 0.867 CA 1.512 16 residues pruned to eliminate duplicates Z: 66 67.921 2.275 1.036 0.570 0.969 0.677 CB 1.753 65 residues pruned to eliminate duplicates Z: 16 25.188 2.262 0.658 0.750 0.800 0.533 CA 1.734 16 residues pruned to eliminate duplicates Z: 64 57.117 2.244 0.825 0.597 0.952 0.730 CB 1.682 64 residues pruned to eliminate duplicates Z: 38 40.781 2.147 1.051 0.677 0.865 0.649 CB 1.495 38 residues pruned to eliminate duplicates Z: 56 64.545 2.345 0.931 0.614 0.964 0.745 CB 1.790 56 residues pruned to eliminate duplicates Z: 16 28.484 2.117 0.648 0.896 1.000 0.800 CA 1.511 16 residues pruned to eliminate duplicates Z: 65 63.674 2.269 0.953 0.569 0.969 0.625 CB 1.734 68 residues pruned to eliminate duplicates Z: 65 62.773 2.253 0.957 0.603 0.984 0.781 CB 1.639 65 residues pruned to eliminate duplicates Z: 15 27.953 1.986 0.903 0.845 1.000 0.786 CB 1.470 13 residues pruned to eliminate duplicates Z: 12 30.128 2.047 1.635 0.701 1.000 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 66 65.627 2.324 0.970 0.594 0.954 0.677 CB 1.703 66 residues pruned to eliminate duplicates Z: 41 37.509 2.069 1.039 0.660 0.825 0.625 CB 1.469 34 residues pruned to eliminate duplicates Z: 60 74.154 2.352 1.093 0.626 1.000 0.763 CB 1.741 60 residues pruned to eliminate duplicates Z: 12 22.183 2.082 0.681 0.802 1.000 0.545 CA 1.467 12 residues pruned to eliminate duplicates Z: 71 64.386 2.271 0.882 0.577 0.971 0.757 CB 1.721 69 residues pruned to eliminate duplicates Z: 39 38.029 2.144 0.971 0.648 0.868 0.605 CB 1.465 39 residues pruned to eliminate duplicates Z: 65 59.211 2.261 0.901 0.603 0.938 0.719 CB 1.665 65 residues pruned to eliminate duplicates Z: 63 65.608 2.302 0.947 0.622 0.984 0.790 CB 1.683 63 residues pruned to eliminate duplicates Z: 61 67.768 2.358 0.979 0.603 0.983 0.717 CB 1.728 61 residues pruned to eliminate duplicates Z: 15 31.932 2.158 0.773 0.928 1.000 0.929 CA 1.563 15 residues pruned to eliminate duplicates Z: 17 25.161 1.805 1.338 0.565 0.938 0.750 CB 1.493 17 residues pruned to eliminate duplicates Z: 14 29.524 2.102 0.691 0.889 1.000 0.769 CB 1.659 14 residues pruned to eliminate duplicates Z: 15 25.426 2.117 0.513 0.925 1.000 0.786 CB 1.489 15 residues pruned to eliminate duplicates Z: 61 61.364 2.223 0.974 0.630 0.983 0.750 CB 1.625 61 residues pruned to eliminate duplicates Z: 67 58.922 2.211 0.930 0.612 0.970 0.803 CB 1.576 67 residues pruned to eliminate duplicates Z: 15 19.662 2.179 0.276 0.798 0.929 0.500 CA 1.568 15 residues pruned to eliminate duplicates Z: 17 24.011 2.107 1.115 0.630 0.875 0.562 CB 1.362 17 residues pruned to eliminate duplicates Z: 64 65.545 2.266 0.979 0.617 0.984 0.730 CB 1.676 64 residues pruned to eliminate duplicates Z: 60 62.443 2.277 0.970 0.626 0.966 0.763 CB 1.666 60 residues pruned to eliminate duplicates Z: 66 59.546 2.255 0.865 0.582 0.969 0.723 CB 1.674 66 residues pruned to eliminate duplicates Z: 26 40.156 2.238 1.238 0.713 0.840 0.600 CB 1.574 26 residues pruned to eliminate duplicates Z: 16 26.997 2.183 0.614 0.792 1.000 0.600 CA 1.532 16 residues pruned to eliminate duplicates Z: 65 63.039 2.352 0.863 0.570 0.953 0.672 CB 1.763 65 residues pruned to eliminate duplicates Z: 59 69.953 2.343 1.037 0.629 0.983 0.707 CB 1.735 59 residues pruned to eliminate duplicates Z: 65 61.889 2.237 0.878 0.639 0.984 0.766 CB 1.642 65 residues pruned to eliminate duplicates Z: 90 83.855 2.347 1.084 0.621 0.933 0.685 CB 1.739 30 residues pruned to eliminate duplicates Z: 60 62.017 2.248 1.042 0.625 0.983 0.746 CB 1.591 60 residues pruned to eliminate duplicates Z: 56 53.856 2.244 1.059 0.565 0.873 0.509 CB 1.691 56 residues pruned to eliminate duplicates Z: 15 27.453 2.060 0.737 0.864 0.929 0.643 CB 1.619 15 residues pruned to eliminate duplicates Z: 124 90.540 2.316 0.956 0.604 0.951 0.691 CB 1.716 124 residues pruned to eliminate duplicates Z: 56 72.457 2.372 1.055 0.653 1.000 0.673 CB 1.738 56 residues pruned to eliminate duplicates Z: 11 23.735 2.107 0.769 0.846 0.900 0.500 CA 1.663 11 residues pruned to eliminate duplicates Z: 58 63.822 2.286 0.907 0.607 1.000 0.667 CB 1.753 58 residues pruned to eliminate duplicates Z: 14 35.946 2.077 1.040 0.902 1.000 0.846 CA 1.678 14 residues pruned to eliminate duplicates Z: 106 72.889 2.242 0.978 0.596 0.924 0.638 CB 1.584 104 residues pruned to eliminate duplicates Z: 12 12.158 1.840 0.495 0.746 0.818 0.455 CB 1.308 Z: 64 59.370 2.279 0.883 0.570 0.968 0.667 CB 1.682 64 residues pruned to eliminate duplicates Z: 14 14.085 1.769 0.593 0.758 0.846 0.615 CA 1.302 14 residues pruned to eliminate duplicates Z: 15 31.900 2.080 1.169 0.880 1.000 0.500 CB 1.369 15 residues pruned to eliminate duplicates Z: 17 23.765 2.202 0.864 0.556 0.875 0.688 CB 1.567 17 residues pruned to eliminate duplicates Z: 16 27.042 2.209 0.732 0.906 0.933 0.867 CA 1.390 16 residues pruned to eliminate duplicates Z: 63 63.362 2.303 0.998 0.593 0.935 0.677 CB 1.711 63 residues pruned to eliminate duplicates Z: 15 30.174 2.004 0.922 0.908 1.000 0.714 CB 1.487 15 residues pruned to eliminate duplicates Z: 52 43.988 2.105 1.036 0.548 0.922 0.647 CB 1.488 37 residues pruned to eliminate duplicates Z: 10 18.296 2.046 0.766 0.849 0.778 0.667 CB 1.609 10 residues pruned to eliminate duplicates Z: 12 13.515 2.123 0.325 0.718 0.818 0.364 CB 1.454 12 residues pruned to eliminate duplicates Z: 10 19.591 2.005 0.655 0.879 1.000 0.667 CB 1.427 10 residues pruned to eliminate duplicates Z: 37 46.994 2.242 1.074 0.673 0.889 0.500 CB 1.616 37 residues pruned to eliminate duplicates Z: 15 23.201 2.181 0.789 0.671 0.786 0.643 CB 1.727 15 residues pruned to eliminate duplicates Z: 16 27.098 2.139 1.173 0.632 0.867 0.667 CB 1.534 15 residues pruned to eliminate duplicates Z: 9 11.563 1.872 0.438 0.835 0.875 0.750 CB 1.300 9 residues pruned to eliminate duplicates Z: 14 30.650 2.025 1.170 0.896 1.000 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 16 24.784 2.224 0.448 0.801 1.000 0.667 CA 1.526 16 residues pruned to eliminate duplicates Z: 24 25.745 1.954 0.995 0.842 0.826 0.522 CB 1.242 24 residues pruned to eliminate duplicates Z: 17 24.667 2.227 0.524 0.775 0.938 0.688 CA 1.521 17 residues pruned to eliminate duplicates Z: 52 57.323 2.287 0.981 0.617 0.941 0.725 CB 1.684 52 residues pruned to eliminate duplicates Z: 6 10.837 2.088 0.400 0.838 0.800 0.800 CB 1.549 6 residues pruned to eliminate duplicates Z: 17 24.872 2.120 0.412 0.843 0.938 0.688 CA 1.650 17 residues pruned to eliminate duplicates Z: 15 23.327 2.147 1.237 0.612 0.786 0.429 CB 1.485 15 residues pruned to eliminate duplicates Z: 32 43.094 2.192 1.260 0.627 0.871 0.677 CB 1.591 32 residues pruned to eliminate duplicates Z: 21 17.626 1.836 0.873 0.450 0.900 0.500 CB 1.341 21 residues pruned to eliminate duplicates Z: 15 25.693 2.140 0.417 0.930 1.000 0.929 CB 1.584 15 residues pruned to eliminate duplicates Z: 64 60.729 2.270 0.867 0.590 0.968 0.683 CB 1.711 64 residues pruned to eliminate duplicates Z: 128 93.605 2.282 1.036 0.627 0.953 0.764 CB 1.664 128 residues pruned to eliminate duplicates Z: 14 34.662 2.169 1.176 0.890 1.000 0.923 CB 1.465 14 residues pruned to eliminate duplicates Z: 64 69.397 2.324 1.018 0.599 0.952 0.651 CB 1.782 64 residues pruned to eliminate duplicates Z: 16 16.048 2.048 0.123 0.830 0.933 0.667 CA 1.451 16 residues pruned to eliminate duplicates Z: 15 30.695 2.122 1.006 0.860 1.000 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 66 64.721 2.336 0.962 0.585 0.938 0.723 CB 1.720 66 residues pruned to eliminate duplicates Z: 60 58.814 2.255 0.908 0.595 0.932 0.729 CB 1.743 60 residues pruned to eliminate duplicates Z: 14 33.079 2.041 1.030 0.903 1.000 0.769 CA 1.578 14 residues pruned to eliminate duplicates Z: 65 55.771 2.272 0.750 0.591 0.969 0.719 CB 1.660 65 residues pruned to eliminate duplicates Z: 61 67.140 2.335 1.034 0.603 0.967 0.717 CB 1.712 61 residues pruned to eliminate duplicates Z: 60 69.391 2.287 1.114 0.626 0.949 0.695 CA 1.748 60 residues pruned to eliminate duplicates Z: 67 68.456 2.325 1.079 0.588 0.955 0.742 CB 1.678 67 residues pruned to eliminate duplicates Z: 44 46.747 2.230 1.084 0.601 0.907 0.628 CB 1.536 45 residues pruned to eliminate duplicates Z: 16 26.141 2.188 0.787 0.859 0.867 0.467 CA 1.466 16 residues pruned to eliminate duplicates Z: 65 61.269 2.221 1.007 0.613 0.953 0.734 CB 1.621 65 residues pruned to eliminate duplicates Z: 67 67.158 2.286 0.977 0.585 0.970 0.652 CB 1.738 66 residues pruned to eliminate duplicates Z: 29 39.849 2.160 1.050 0.642 0.893 0.571 CB 1.668 29 residues pruned to eliminate duplicates Z: 16 20.266 2.000 0.663 0.710 0.867 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 66 59.478 2.286 0.894 0.583 0.938 0.692 CB 1.677 66 residues pruned to eliminate duplicates Z: 60 70.519 2.350 1.054 0.608 0.983 0.712 CB 1.745 60 residues pruned to eliminate duplicates Z: 9 18.302 2.009 1.167 0.841 0.875 0.625 CB 1.267 9 residues pruned to eliminate duplicates Z: 68 62.930 2.295 0.988 0.540 0.955 0.478 CB 1.696 68 residues pruned to eliminate duplicates Z: 16 31.384 2.102 1.486 0.652 1.000 0.667 CB 1.345 16 residues pruned to eliminate duplicates Z: 65 61.260 2.246 0.953 0.612 0.984 0.750 CB 1.595 65 residues pruned to eliminate duplicates Z: 14 32.360 2.361 0.847 0.795 0.923 0.538 CA 1.723 14 residues pruned to eliminate duplicates Z: 58 59.507 2.277 0.851 0.646 0.982 0.754 CB 1.661 58 residues pruned to eliminate duplicates Z: 17 24.727 2.047 0.609 0.760 0.938 0.688 CB 1.590 17 residues pruned to eliminate duplicates Z: 13 29.775 2.180 1.065 0.836 0.917 0.833 CB 1.559 13 residues pruned to eliminate duplicates Z: 56 61.829 2.271 1.002 0.663 0.982 0.782 CB 1.605 56 residues pruned to eliminate duplicates Z: 15 27.464 2.121 0.643 0.941 0.929 0.714 CB 1.575 15 residues pruned to eliminate duplicates Z: 23 24.834 1.932 0.591 0.876 0.909 0.773 CB 1.377 23 residues pruned to eliminate duplicates Z: 24 36.057 2.004 1.049 0.816 0.957 0.652 CB 1.455 24 residues pruned to eliminate duplicates Z: 15 23.596 1.921 1.021 0.840 0.929 0.714 CB 1.305 Z: 14 18.276 2.089 0.476 0.792 0.923 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 23 35.538 2.188 1.255 0.614 0.864 0.682 CA 1.596 23 residues pruned to eliminate duplicates Z: 15 32.177 2.120 0.975 0.928 1.000 0.786 CB 1.439 15 residues pruned to eliminate duplicates Z: 66 62.203 2.280 0.898 0.567 0.954 0.692 CB 1.752 66 residues pruned to eliminate duplicates Z: 14 32.706 2.218 0.842 0.953 1.000 0.923 CB 1.528 14 residues pruned to eliminate duplicates Z: 15 30.509 2.032 0.995 0.862 1.000 0.786 CB 1.477 15 residues pruned to eliminate duplicates Z: 36 47.406 2.327 1.126 0.607 0.886 0.686 CA 1.652 36 residues pruned to eliminate duplicates Z: 59 58.360 2.258 0.863 0.642 0.966 0.776 CB 1.652 59 residues pruned to eliminate duplicates Z: 61 56.820 2.241 0.889 0.617 0.950 0.750 CB 1.633 61 residues pruned to eliminate duplicates Z: 14 32.385 2.109 1.038 0.883 1.000 0.923 CB 1.511 14 residues pruned to eliminate duplicates Z: 54 72.607 2.386 1.012 0.687 1.000 0.811 CB 1.750 54 residues pruned to eliminate duplicates Z: 15 31.265 2.146 0.729 0.930 1.000 0.714 CA 1.575 15 residues pruned to eliminate duplicates Z: 16 28.923 2.201 1.302 0.621 0.867 0.733 CA 1.517 16 residues pruned to eliminate duplicates Z: 15 31.086 2.121 0.798 0.916 1.000 0.857 CA 1.538 15 residues pruned to eliminate duplicates Z: 63 74.878 2.381 1.071 0.608 0.984 0.758 CA 1.769 63 residues pruned to eliminate duplicates Z: 64 62.936 2.281 0.892 0.597 0.968 0.714 CB 1.730 64 residues pruned to eliminate duplicates Z: 14 35.757 2.193 1.117 0.879 1.000 0.923 CB 1.549 14 residues pruned to eliminate duplicates Z: 13 32.324 2.276 0.988 0.886 1.000 0.917 CB 1.487 13 residues pruned to eliminate duplicates Z: 58 63.319 2.291 0.916 0.650 1.000 0.789 CB 1.662 58 residues pruned to eliminate duplicates Z: 69 59.813 2.195 0.969 0.614 0.956 0.662 CB 1.576 69 residues pruned to eliminate duplicates Z: 6 5.294 1.581 0.731 0.686 0.800 0.200 CA 0.912 6 residues pruned to eliminate duplicates Z: 12 23.178 2.150 1.150 0.612 0.909 0.818 CA 1.495 12 residues pruned to eliminate duplicates Z: 14 25.725 2.095 0.923 0.839 0.923 0.692 CB 1.432 14 residues pruned to eliminate duplicates Z: 14 30.461 2.253 0.785 0.909 0.923 0.846 CB 1.615 14 residues pruned to eliminate duplicates Z: 15 24.468 2.314 0.551 0.790 0.857 0.500 CA 1.648 15 residues pruned to eliminate duplicates Z: 27 46.805 2.256 1.152 0.713 0.923 0.654 CB 1.688 28 residues pruned to eliminate duplicates Z: 24 33.698 2.121 0.751 0.829 0.957 0.652 CB 1.488 24 residues pruned to eliminate duplicates Z: 63 54.959 2.210 0.887 0.598 0.952 0.806 CB 1.601 63 residues pruned to eliminate duplicates Z: 16 21.306 2.067 0.504 0.830 0.867 0.667 CA 1.534 16 residues pruned to eliminate duplicates Z: 14 32.487 2.296 1.045 0.917 0.923 0.846 CA 1.467 14 residues pruned to eliminate duplicates Z: 24 37.916 2.039 1.315 0.803 0.913 0.652 CB 1.407 24 residues pruned to eliminate duplicates Z: 66 66.624 2.331 0.983 0.573 0.969 0.708 CA 1.719 66 residues pruned to eliminate duplicates Z: 17 23.140 2.021 0.466 0.917 0.938 0.938 CA 1.470 17 residues pruned to eliminate duplicates Z: 15 31.104 2.027 1.321 0.848 1.000 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 22 33.843 2.021 0.928 0.842 0.952 0.810 CB 1.483 22 residues pruned to eliminate duplicates Z: 15 36.252 2.251 1.176 0.936 1.000 0.786 CA 1.377 15 residues pruned to eliminate duplicates Z: 15 26.389 2.007 0.883 0.894 0.929 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 15 37.930 2.075 1.411 0.910 1.000 0.643 CB 1.437 15 residues pruned to eliminate duplicates Z: 51 42.676 2.091 0.739 0.629 0.940 0.700 CB 1.564 51 residues pruned to eliminate duplicates Z: 23 25.510 1.975 0.865 0.809 0.864 0.409 CB 1.306 27 residues pruned to eliminate duplicates Z: 12 12.443 1.801 0.450 0.798 0.909 0.364 CB 1.218 12 residues pruned to eliminate duplicates Z: 8 15.583 2.137 0.652 0.783 0.857 0.714 CB 1.517 8 residues pruned to eliminate duplicates Z: 14 23.412 1.928 1.064 0.866 0.923 0.615 CB 1.294 14 residues pruned to eliminate duplicates Z: 14 25.808 1.906 1.200 0.899 1.000 0.769 CB 1.220 14 residues pruned to eliminate duplicates Z: 52 67.220 2.372 0.962 0.677 1.000 0.706 CA 1.718 52 residues pruned to eliminate duplicates Z: 11 14.434 1.847 0.843 0.682 0.900 0.400 CB 1.261 11 residues pruned to eliminate duplicates Z: 11 26.628 2.120 1.107 0.659 1.000 0.700 CA 1.627 11 residues pruned to eliminate duplicates Z: 12 13.837 1.755 0.735 0.764 0.909 0.455 CB 1.192 12 residues pruned to eliminate duplicates Z: 65 62.173 2.234 0.939 0.636 0.969 0.719 CB 1.630 65 residues pruned to eliminate duplicates Z: 15 26.810 2.122 0.690 0.927 1.000 0.929 CB 1.400 15 residues pruned to eliminate duplicates Z: 11 12.631 1.755 0.635 0.842 0.800 0.400 CB 1.296 11 residues pruned to eliminate duplicates Z: 111 69.830 2.221 0.880 0.592 0.900 0.645 CB 1.622 111 residues pruned to eliminate duplicates Z: 18 29.613 2.181 1.022 0.474 1.000 0.647 CB 1.672 18 residues pruned to eliminate duplicates Z: 14 26.597 2.126 0.847 0.911 0.923 0.769 CB 1.443 14 residues pruned to eliminate duplicates Z: 63 70.315 2.373 1.044 0.597 0.952 0.694 CB 1.764 63 residues pruned to eliminate duplicates Z: 13 29.632 2.246 1.247 0.896 0.917 0.500 CB 1.324 13 residues pruned to eliminate duplicates Z: 67 66.595 2.277 1.000 0.609 0.939 0.712 CA 1.728 67 residues pruned to eliminate duplicates Z: 10 7.108 1.873 0.560 0.328 0.889 0.333 CB 1.101 Z: 15 33.575 2.095 1.065 0.905 1.000 0.857 CB 1.477 15 residues pruned to eliminate duplicates Z: 15 27.552 2.018 0.689 0.884 1.000 0.571 C 1.562 15 residues pruned to eliminate duplicates Z: 43 29.319 1.968 0.923 0.536 0.762 0.595 CA 1.516 43 residues pruned to eliminate duplicates Z: 9 7.822 1.909 0.707 0.263 0.875 0.375 CB 1.270 9 residues pruned to eliminate duplicates Z: 44 57.678 2.305 0.983 0.660 0.977 0.791 CB 1.698 44 residues pruned to eliminate duplicates Z: 13 33.857 2.152 0.948 0.902 1.000 0.667 CA 1.662 13 residues pruned to eliminate duplicates Z: 14 26.452 2.004 0.834 0.933 1.000 0.615 CB 1.393 14 residues pruned to eliminate duplicates Z: 15 30.643 2.373 0.894 0.735 0.857 0.571 CA 1.721 15 residues pruned to eliminate duplicates Z: 16 26.787 2.089 0.639 0.860 1.000 0.667 CB 1.485 16 residues pruned to eliminate duplicates Z: 49 60.004 2.360 1.041 0.618 0.958 0.750 CA 1.679 49 residues pruned to eliminate duplicates Z: 23 31.399 2.020 1.160 0.791 0.864 0.591 CB 1.376 23 residues pruned to eliminate duplicates Z: 12 15.570 1.877 0.869 0.759 0.909 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 12 32.427 2.155 1.143 0.924 1.000 0.909 CB 1.487 12 residues pruned to eliminate duplicates Z: 15 28.043 2.099 0.829 0.947 1.000 0.929 CB 1.349 15 residues pruned to eliminate duplicates Z: 48 50.425 2.203 0.894 0.646 0.957 0.681 CB 1.606 48 residues pruned to eliminate duplicates Z: 7 4.395 1.876 1.185 0.295 0.500 0.333 CB 1.101 Z: 14 32.141 2.166 0.831 0.947 1.000 0.923 CA 1.553 14 residues pruned to eliminate duplicates Z: 16 22.582 2.068 0.503 0.881 0.933 0.867 CA 1.455 16 residues pruned to eliminate duplicates Z: 6 8.574 2.180 0.083 0.878 0.800 0.600 CA 1.473 Z: 14 28.348 2.132 0.789 0.939 1.000 0.923 CB 1.432 14 residues pruned to eliminate duplicates Z: 15 26.280 1.950 0.969 0.906 0.929 0.786 CB 1.401 15 residues pruned to eliminate duplicates Z: 79 51.485 2.128 0.835 0.551 0.936 0.692 CB 1.519 79 residues pruned to eliminate duplicates Z: 15 25.641 2.183 0.439 0.917 1.000 0.929 CB 1.539 15 residues pruned to eliminate duplicates Z: 15 29.132 2.151 0.677 0.945 0.929 0.857 CA 1.609 15 residues pruned to eliminate duplicates Z: 19 22.970 2.222 0.821 0.653 0.833 0.389 CB 1.392 19 residues pruned to eliminate duplicates Z: 22 33.908 2.028 0.923 0.862 0.952 0.714 CB 1.462 22 residues pruned to eliminate duplicates Z: 14 27.695 2.089 0.990 0.854 0.923 0.615 CB 1.478 14 residues pruned to eliminate duplicates Z: 14 27.990 2.150 0.677 0.940 1.000 0.923 CB 1.496 14 residues pruned to eliminate duplicates Z: 16 23.794 2.021 0.567 0.915 1.000 0.800 CB 1.371 16 residues pruned to eliminate duplicates Z: 15 34.025 2.118 0.985 0.855 1.000 0.643 CB 1.595 15 residues pruned to eliminate duplicates Z: 67 58.829 2.253 0.845 0.571 0.939 0.712 CB 1.731 67 residues pruned to eliminate duplicates Z: 61 53.376 2.226 0.772 0.601 1.000 0.700 CB 1.587 61 residues pruned to eliminate duplicates Z: 69 59.770 2.250 0.864 0.571 0.941 0.676 CA 1.714 69 residues pruned to eliminate duplicates Z: 59 61.719 2.248 0.896 0.662 1.000 0.672 CB 1.636 59 residues pruned to eliminate duplicates Z: 13 27.368 2.171 1.182 0.765 0.917 0.917 CB 1.439 13 residues pruned to eliminate duplicates Z: 14 26.933 2.095 0.940 0.868 0.923 0.923 CB 1.456 14 residues pruned to eliminate duplicates Z: 14 35.031 2.207 0.981 0.946 1.000 1.000 CB 1.537 14 residues pruned to eliminate duplicates Z: 15 30.239 2.248 0.863 0.920 0.929 0.929 CA 1.464 15 residues pruned to eliminate duplicates Z: 81 74.079 2.331 1.055 0.595 0.925 0.663 CB 1.706 85 residues pruned to eliminate duplicates Z: 41 55.191 2.328 0.954 0.709 0.975 0.725 CA 1.627 41 residues pruned to eliminate duplicates Z: 17 19.285 2.132 0.588 0.716 0.812 0.500 CA 1.441 17 residues pruned to eliminate duplicates Z: 67 69.505 2.344 1.036 0.594 0.955 0.727 CA 1.716 67 residues pruned to eliminate duplicates Z: 14 16.827 2.163 0.525 0.747 0.769 0.538 CB 1.475 14 residues pruned to eliminate duplicates Z: 14 20.109 1.882 1.013 0.860 0.846 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 13 25.736 1.971 1.099 0.900 1.000 0.917 CB 1.283 13 residues pruned to eliminate duplicates Z: 9 15.950 1.878 1.038 0.793 1.000 0.625 CB 1.140 9 residues pruned to eliminate duplicates Z: 11 23.085 2.110 1.185 0.748 0.900 0.800 CA 1.410 11 residues pruned to eliminate duplicates Z: 64 54.430 2.182 0.907 0.587 0.952 0.603 CB 1.592 64 residues pruned to eliminate duplicates Z: 16 28.365 2.025 0.783 0.888 1.000 0.867 CB 1.462 16 residues pruned to eliminate duplicates Z: 65 53.675 2.207 0.889 0.620 0.938 0.750 CB 1.532 65 residues pruned to eliminate duplicates Z: 15 22.332 2.094 0.634 0.760 1.000 0.571 CB 1.384 15 residues pruned to eliminate duplicates Z: 69 63.087 2.318 1.021 0.570 0.941 0.618 CB 1.621 69 residues pruned to eliminate duplicates Z: 14 33.469 2.100 1.099 0.887 1.000 0.615 CB 1.519 14 residues pruned to eliminate duplicates Z: 12 16.706 2.073 0.238 0.813 0.909 0.636 CB 1.645 12 residues pruned to eliminate duplicates Z: 20 33.646 2.201 1.116 0.565 0.895 0.579 CB 1.739 20 residues pruned to eliminate duplicates Z: 15 26.096 2.119 0.559 0.933 1.000 1.000 CB 1.474 15 residues pruned to eliminate duplicates Z: 16 18.080 2.018 0.654 0.764 0.800 0.600 CB 1.383 16 residues pruned to eliminate duplicates Z: 10 14.720 1.897 0.942 0.774 1.000 0.667 CB 1.046 10 residues pruned to eliminate duplicates Z: 14 26.494 1.959 1.270 0.871 0.923 0.538 CB 1.307 14 residues pruned to eliminate duplicates Z: 8 19.233 2.165 0.495 0.899 1.000 0.857 CB 1.605 8 residues pruned to eliminate duplicates Z: 56 60.615 2.269 0.897 0.666 0.982 0.800 CB 1.659 56 residues pruned to eliminate duplicates Z: 11 21.077 2.033 1.083 0.745 0.900 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 10 11.631 1.971 0.468 0.833 0.778 0.667 CB 1.292 10 residues pruned to eliminate duplicates Z: 14 25.193 2.072 0.894 0.852 1.000 0.846 CB 1.317 14 residues pruned to eliminate duplicates Z: 9 10.011 1.771 0.708 0.828 1.000 0.750 CA 0.882 9 residues pruned to eliminate duplicates Z: 14 19.330 2.101 0.593 0.753 0.846 0.462 CB 1.511 14 residues pruned to eliminate duplicates Z: 35 33.072 2.095 0.923 0.650 0.882 0.529 CB 1.388 58 residues pruned to eliminate duplicates Z: 8 10.970 2.127 0.140 0.876 1.000 0.857 CB 1.242 8 residues pruned to eliminate duplicates Z: 9 15.782 1.873 0.611 0.901 1.000 0.750 CA 1.321 9 residues pruned to eliminate duplicates Z: 44 44.081 2.175 1.079 0.621 0.837 0.605 CB 1.584 44 residues pruned to eliminate duplicates Z: 16 9.881 1.863 0.269 0.547 0.800 0.667 CB 1.289 Z: 7 7.418 2.243 0.868 0.355 0.667 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 14 35.655 2.320 0.934 0.949 1.000 0.846 CA 1.521 14 residues pruned to eliminate duplicates Z: 15 31.253 2.010 1.113 0.886 1.000 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 60 52.320 2.246 0.784 0.606 0.949 0.746 CB 1.620 60 residues pruned to eliminate duplicates Z: 14 35.186 2.105 1.145 0.916 1.000 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 11 22.050 1.977 0.905 0.830 1.000 0.300 CB 1.392 11 residues pruned to eliminate duplicates Z: 24 34.706 1.999 1.051 0.837 0.913 0.696 CB 1.446 24 residues pruned to eliminate duplicates Z: 20 36.929 2.209 1.133 0.604 0.947 0.737 CB 1.720 23 residues pruned to eliminate duplicates Z: 65 70.889 2.333 1.032 0.614 0.984 0.734 CB 1.704 67 residues pruned to eliminate duplicates Z: 15 19.208 2.211 0.317 0.750 0.857 0.429 CB 1.645 15 residues pruned to eliminate duplicates Z: 12 22.483 2.098 1.118 0.669 0.909 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 63 61.302 2.313 0.900 0.584 0.952 0.710 CB 1.717 63 residues pruned to eliminate duplicates Z: 13 37.229 2.155 1.214 0.884 1.000 0.917 CB 1.627 13 residues pruned to eliminate duplicates Z: 66 58.399 2.213 0.860 0.610 0.969 0.785 CB 1.635 66 residues pruned to eliminate duplicates Z: 64 60.912 2.259 0.963 0.598 0.968 0.714 CB 1.627 64 residues pruned to eliminate duplicates Z: 15 26.983 2.073 0.626 0.868 1.000 0.643 CA 1.564 15 residues pruned to eliminate duplicates Z: 15 21.884 2.074 0.714 0.786 0.857 0.643 CA 1.494 15 residues pruned to eliminate duplicates Z: 14 28.800 2.239 0.590 0.921 1.000 0.769 CB 1.579 14 residues pruned to eliminate duplicates Z: 27 31.245 2.162 1.064 0.473 0.885 0.692 CB 1.596 27 residues pruned to eliminate duplicates Z: 16 28.576 1.939 0.809 0.844 1.000 0.733 CA 1.565 16 residues pruned to eliminate duplicates Z: 13 18.766 2.029 0.669 0.831 0.833 0.500 CA 1.443 13 residues pruned to eliminate duplicates Z: 65 65.770 2.325 1.042 0.587 0.938 0.703 CA 1.699 65 residues pruned to eliminate duplicates Z: 70 52.778 2.219 0.827 0.560 0.928 0.739 CB 1.593 70 residues pruned to eliminate duplicates Z: 16 24.376 2.250 0.661 0.743 0.867 0.600 CA 1.563 16 residues pruned to eliminate duplicates Z: 14 25.576 1.919 0.832 0.882 1.000 0.923 CA 1.460 14 residues pruned to eliminate duplicates Z: 33 37.116 2.142 0.990 0.614 0.844 0.750 CB 1.637 33 residues pruned to eliminate duplicates Z: 14 26.141 1.922 0.956 0.897 1.000 0.923 CB 1.381 14 residues pruned to eliminate duplicates Z: 23 24.273 2.091 0.744 0.437 0.955 0.591 CB 1.587 23 residues pruned to eliminate duplicates Z: 21 23.965 1.831 0.747 0.843 0.950 0.800 CA 1.313 Z: 49 55.148 2.261 0.900 0.624 0.958 0.667 CB 1.720 49 residues pruned to eliminate duplicates Z: 30 26.271 2.047 0.696 0.627 0.862 0.483 CB 1.447 30 residues pruned to eliminate duplicates Z: 22 23.948 2.135 1.126 0.426 0.810 0.619 CB 1.536 22 residues pruned to eliminate duplicates Z: 17 27.987 2.079 0.925 0.861 0.875 0.500 CB 1.468 17 residues pruned to eliminate duplicates Z: 17 20.107 2.083 0.323 0.791 0.938 0.625 CA 1.507 17 residues pruned to eliminate duplicates Z: 14 31.926 2.300 0.760 0.938 1.000 0.846 CA 1.521 14 residues pruned to eliminate duplicates Z: 38 36.476 2.079 0.963 0.668 0.811 0.568 CB 1.552 38 residues pruned to eliminate duplicates Z: 20 35.148 2.120 1.052 0.818 0.947 0.684 CB 1.485 20 residues pruned to eliminate duplicates Z: 15 31.489 2.094 1.072 0.946 1.000 0.786 CB 1.342 15 residues pruned to eliminate duplicates Z: 11 22.655 2.019 0.874 0.800 1.000 0.600 CB 1.457 11 residues pruned to eliminate duplicates Z: 51 56.444 2.284 1.036 0.601 0.960 0.600 CA 1.624 51 residues pruned to eliminate duplicates Z: 16 8.619 1.686 0.671 0.285 0.800 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 11 12.115 2.038 0.562 0.715 0.800 0.400 CA 1.238 11 residues pruned to eliminate duplicates Z: 16 29.699 2.176 0.934 0.936 1.000 0.800 CA 1.268 16 residues pruned to eliminate duplicates Z: 14 22.193 1.925 0.951 0.809 0.923 0.769 CA 1.356 14 residues pruned to eliminate duplicates Z: 8 19.242 2.200 0.391 0.886 1.000 0.857 CB 1.715 8 residues pruned to eliminate duplicates Z: 21 23.262 2.183 0.993 0.488 0.800 0.600 CA 1.513 21 residues pruned to eliminate duplicates Z: 15 28.487 2.065 0.816 0.953 1.000 0.857 CB 1.398 15 residues pruned to eliminate duplicates Z: 15 29.327 2.091 0.939 0.888 1.000 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 14 29.500 2.202 0.635 0.936 1.000 0.769 CB 1.583 14 residues pruned to eliminate duplicates Z: 47 50.758 2.252 0.814 0.641 0.935 0.717 CB 1.718 47 residues pruned to eliminate duplicates Z: 10 10.475 2.008 0.531 0.857 0.556 0.556 CA 1.508 10 residues pruned to eliminate duplicates Z: 6 3.006 1.486 1.129 0.370 0.800 0.400 CB 0.611 Z: 15 25.589 2.111 0.485 0.901 1.000 0.714 CB 1.557 15 residues pruned to eliminate duplicates Z: 14 23.968 2.070 0.742 0.787 0.923 0.692 CB 1.552 14 residues pruned to eliminate duplicates Z: 8 7.253 2.051 -0.176 0.685 1.000 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 13 21.429 2.122 0.488 0.807 0.917 0.417 CA 1.636 Z: 14 32.566 2.133 1.087 0.950 1.000 0.769 CB 1.399 14 residues pruned to eliminate duplicates Z: 19 27.668 2.377 0.811 0.488 0.889 0.722 CB 1.726 19 residues pruned to eliminate duplicates Z: 66 68.139 2.332 1.004 0.579 0.985 0.769 CB 1.703 66 residues pruned to eliminate duplicates Z: 10 18.208 2.137 0.475 0.835 0.889 0.667 CA 1.622 10 residues pruned to eliminate duplicates Z: 65 65.773 2.339 1.002 0.582 0.938 0.750 CB 1.731 65 residues pruned to eliminate duplicates Z: 16 32.915 2.237 0.914 0.622 1.000 0.867 CB 1.770 16 residues pruned to eliminate duplicates Z: 7 8.702 2.215 0.177 0.806 0.667 0.333 CA 1.566 7 residues pruned to eliminate duplicates Z: 82 55.591 2.139 0.891 0.604 0.914 0.704 CB 1.514 65 residues pruned to eliminate duplicates Z: 14 26.269 1.909 1.097 0.873 1.000 0.846 CB 1.326 14 residues pruned to eliminate duplicates Z: 14 22.974 1.932 0.977 0.812 0.923 0.462 CB 1.377 13 residues pruned to eliminate duplicates Z: 78 58.205 2.166 0.939 0.627 0.909 0.597 CB 1.542 35 residues pruned to eliminate duplicates Z: 14 15.789 1.929 0.765 0.634 0.846 0.538 CB 1.340 14 residues pruned to eliminate duplicates Z: 15 22.741 2.189 0.448 0.834 0.929 0.714 CA 1.547 15 residues pruned to eliminate duplicates Z: 31 45.815 2.151 1.196 0.714 1.000 0.767 CB 1.458 31 residues pruned to eliminate duplicates Z: 6 5.524 1.797 0.156 0.546 1.000 0.400 C 1.136 Z: 11 16.035 1.833 0.655 0.782 1.000 0.400 CA 1.304 11 residues pruned to eliminate duplicates Z: 15 28.182 1.995 0.858 0.850 1.000 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 66 58.330 2.260 0.846 0.602 0.954 0.738 CB 1.649 66 residues pruned to eliminate duplicates Z: 16 32.468 2.094 0.898 0.899 1.000 0.933 CA 1.507 16 residues pruned to eliminate duplicates Z: 64 66.990 2.258 0.989 0.660 0.984 0.714 CB 1.647 64 residues pruned to eliminate duplicates Z: 12 15.389 1.750 0.880 0.801 0.909 0.455 CB 1.192 11 residues pruned to eliminate duplicates Z: 12 12.707 1.922 0.400 0.802 0.818 0.545 CB 1.337 12 residues pruned to eliminate duplicates Z: 49 55.141 2.198 0.979 0.696 0.938 0.771 CB 1.632 49 residues pruned to eliminate duplicates Z: 27 49.111 2.268 1.110 0.749 0.962 0.808 CB 1.675 27 residues pruned to eliminate duplicates Z: 10 21.452 2.058 0.930 0.876 1.000 0.778 CB 1.309 11 residues pruned to eliminate duplicates Z: 24 34.530 1.904 1.036 0.872 0.870 0.609 CB 1.557 24 residues pruned to eliminate duplicates Z: 12 20.217 1.947 0.772 0.851 0.909 0.727 CB 1.439 12 residues pruned to eliminate duplicates Z: 12 16.620 1.800 0.699 0.789 1.000 0.455 CB 1.272 Z: 14 33.695 2.173 0.877 0.933 1.000 0.846 CB 1.599 14 residues pruned to eliminate duplicates Z: 11 21.651 1.806 1.111 0.918 1.000 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 15 25.642 2.043 0.887 0.887 0.857 0.500 CB 1.496 15 residues pruned to eliminate duplicates Z: 64 59.754 2.247 1.004 0.614 0.937 0.698 CB 1.603 64 residues pruned to eliminate duplicates Z: 19 23.496 2.125 0.877 0.639 0.833 0.444 CB 1.463 19 residues pruned to eliminate duplicates Z: 22 32.656 2.197 0.925 0.570 0.905 0.667 CB 1.741 22 residues pruned to eliminate duplicates Z: 14 28.724 2.166 0.851 0.872 1.000 0.846 CB 1.448 14 residues pruned to eliminate duplicates Z: 63 68.950 2.345 1.068 0.608 0.952 0.677 CB 1.712 63 residues pruned to eliminate duplicates Z: 15 35.490 2.132 1.070 0.919 1.000 0.786 CB 1.514 15 residues pruned to eliminate duplicates Z: 12 9.678 2.026 1.008 0.303 0.636 0.455 CB 1.404 20 residues pruned to eliminate duplicates Z: 8 9.927 1.527 0.886 0.806 1.000 0.714 N 0.998 Z: 64 65.682 2.309 0.942 0.607 0.952 0.683 CB 1.751 64 residues pruned to eliminate duplicates Z: 16 21.117 2.137 0.356 0.809 0.933 0.667 CA 1.540 16 residues pruned to eliminate duplicates Z: 14 25.925 2.331 0.651 0.767 0.846 0.615 CA 1.743 14 residues pruned to eliminate duplicates Z: 47 34.977 2.095 0.940 0.584 0.848 0.543 CB 1.381 51 residues pruned to eliminate duplicates Z: 16 20.990 2.183 0.184 0.824 1.000 0.600 CA 1.583 16 residues pruned to eliminate duplicates Z: 24 37.617 1.939 1.031 0.896 0.957 0.783 CB 1.492 39 residues pruned to eliminate duplicates Z: 8 8.721 1.980 -0.225 0.727 1.000 0.571 O 1.751 Z: 12 31.912 2.263 1.293 0.751 1.000 1.000 CA 1.482 12 residues pruned to eliminate duplicates Z: 18 34.160 2.262 1.200 0.575 0.882 0.706 CB 1.755 18 residues pruned to eliminate duplicates Z: 19 11.511 1.781 0.791 0.390 0.722 0.444 CB 1.323 19 residues pruned to eliminate duplicates Z: 6 9.359 1.930 1.092 0.398 1.000 0.400 CB 1.155 7 residues pruned to eliminate duplicates Z: 14 15.544 1.970 0.254 0.867 0.923 0.692 CA 1.383 14 residues pruned to eliminate duplicates Z: 8 4.030 1.763 0.113 0.393 0.857 0.286 CB 1.013 Z: 10 12.701 1.784 0.363 0.811 1.000 0.778 CB 1.328 10 residues pruned to eliminate duplicates Z: 12 27.403 2.055 1.240 0.773 0.909 0.727 C 1.551 12 residues pruned to eliminate duplicates Z: 123 83.980 2.288 0.909 0.570 0.951 0.664 CB 1.711 190 residues pruned to eliminate duplicates Z: 31 44.709 2.108 1.246 0.657 0.933 0.567 CB 1.597 30 residues pruned to eliminate duplicates Z: 12 15.420 1.830 0.566 0.796 0.909 0.455 CB 1.378 12 residues pruned to eliminate duplicates Z: 8 6.312 1.509 0.509 0.418 1.000 0.714 C 1.141 8 residues pruned to eliminate duplicates Z: 18 26.628 2.322 0.685 0.477 1.000 0.647 CB 1.690 18 residues pruned to eliminate duplicates Z: 40 37.041 2.032 0.920 0.649 0.897 0.564 CB 1.474 40 residues pruned to eliminate duplicates Z: 15 24.021 2.117 0.710 0.744 1.000 0.500 CA 1.426 Z: 15 33.192 2.113 0.847 0.943 1.000 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 42 27.376 2.029 0.779 0.529 0.829 0.488 CB 1.388 42 residues pruned to eliminate duplicates Z: 13 13.423 1.744 0.635 0.746 1.000 0.583 CB 1.091 13 residues pruned to eliminate duplicates Z: 15 30.269 2.033 1.157 0.930 0.929 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 52 46.259 2.136 1.045 0.570 0.941 0.686 CB 1.472 97 residues pruned to eliminate duplicates Z: 54 58.394 2.262 0.958 0.624 0.943 0.642 CB 1.708 15 residues pruned to eliminate duplicates Z: 13 17.650 2.025 0.482 0.799 0.833 0.417 CA 1.569 13 residues pruned to eliminate duplicates Z: 117 83.098 2.272 0.939 0.611 0.940 0.716 CB 1.677 110 residues pruned to eliminate duplicates Z: 7 4.780 1.772 0.077 0.651 0.833 0.833 CB 1.066 Z: 23 36.433 2.059 1.025 0.819 0.955 0.682 CB 1.479 23 residues pruned to eliminate duplicates Z: 15 12.362 2.045 0.343 0.415 1.000 0.500 CB 1.315 15 residues pruned to eliminate duplicates Z: 20 21.155 1.994 0.778 0.501 0.947 0.632 CB 1.444 20 residues pruned to eliminate duplicates Z: 65 72.114 2.342 1.127 0.602 0.953 0.719 CB 1.722 65 residues pruned to eliminate duplicates Z: 11 7.946 1.697 0.092 0.532 0.900 0.800 CB 1.460 Z: 9 3.659 1.576 0.621 0.313 0.625 0.625 CB 0.997 9 residues pruned to eliminate duplicates Z: 21 34.752 2.331 1.035 0.512 0.950 0.800 CB 1.705 21 residues pruned to eliminate duplicates Z: 56 54.946 2.250 0.829 0.666 0.982 0.818 CB 1.572 56 residues pruned to eliminate duplicates Z: 14 20.414 2.241 0.363 0.786 0.923 0.615 CA 1.561 14 residues pruned to eliminate duplicates Z: 11 15.386 2.015 0.679 0.681 0.800 0.300 CB 1.522 Z: 17 21.678 1.965 0.418 0.930 1.000 0.812 CB 1.361 17 residues pruned to eliminate duplicates Z: 7 5.984 1.635 0.141 0.598 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 40 59.783 2.279 1.035 0.691 1.000 0.769 CB 1.733 40 residues pruned to eliminate duplicates Z: 10 17.180 1.892 0.788 0.830 1.000 0.889 CB 1.273 Z: 15 20.101 1.832 0.874 0.863 1.000 0.643 CB 1.148 15 residues pruned to eliminate duplicates Z: 67 79.620 2.349 1.091 0.653 0.985 0.758 CB 1.757 67 residues pruned to eliminate duplicates Z: 100 79.827 2.303 1.121 0.578 0.929 0.626 CB 1.639 91 residues pruned to eliminate duplicates Z: 13 18.204 1.828 1.062 0.632 1.000 0.667 CB 1.232 Z: 16 19.278 2.096 0.331 0.887 1.000 0.933 CA 1.287 16 residues pruned to eliminate duplicates Z: 20 31.916 2.209 0.999 0.456 1.000 0.684 CA 1.733 11 residues pruned to eliminate duplicates Z: 8 5.427 1.651 0.076 0.765 1.000 0.857 CB 0.913 8 residues pruned to eliminate duplicates Z: 22 21.535 1.714 1.056 0.599 0.905 0.571 CB 1.341 19 residues pruned to eliminate duplicates Z: 54 66.557 2.311 0.916 0.715 1.000 0.849 CB 1.700 54 residues pruned to eliminate duplicates Z: 8 7.464 1.999 -0.413 0.833 1.000 0.857 CB 1.803 8 residues pruned to eliminate duplicates Z: 10 6.826 1.793 0.484 0.327 0.889 0.111 CA 1.163 10 residues pruned to eliminate duplicates Z: 11 14.781 2.033 0.512 0.842 0.800 0.700 CB 1.416 8 residues pruned to eliminate duplicates Z: 13 12.349 1.753 0.473 0.725 1.000 0.500 CB 1.127 13 residues pruned to eliminate duplicates Z: 47 54.212 2.248 0.945 0.628 0.957 0.674 CB 1.694 47 residues pruned to eliminate duplicates Z: 59 44.564 2.147 0.616 0.591 0.966 0.707 CA 1.600 59 residues pruned to eliminate duplicates Z: 8 5.743 1.665 -0.004 0.628 0.857 0.714 CB 1.353 8 residues pruned to eliminate duplicates Z: 55 50.208 2.156 0.933 0.661 0.944 0.722 CB 1.496 55 residues pruned to eliminate duplicates Z: 66 67.437 2.311 1.047 0.605 0.938 0.738 CB 1.705 66 residues pruned to eliminate duplicates Z: 6 3.048 1.665 0.443 0.455 0.600 0.400 CB 0.990 Z: 78 75.278 2.325 0.965 0.613 0.961 0.714 CA 1.757 78 residues pruned to eliminate duplicates Z: 8 5.430 1.556 -0.263 0.837 1.000 0.857 O 1.339 Z: 9 9.824 1.694 1.361 0.346 1.000 0.750 CB 1.027 5 residues pruned to eliminate duplicates Z: 54 57.359 2.278 0.966 0.606 0.981 0.679 CB 1.621 54 residues pruned to eliminate duplicates Z: 20 10.037 1.793 0.773 0.227 0.737 0.316 CA 1.353 9 residues pruned to eliminate duplicates Z: 14 10.986 1.794 0.675 0.575 0.846 0.769 CB 1.114 Z: 16 28.617 2.127 1.081 0.875 0.933 0.667 CA 1.301 16 residues pruned to eliminate duplicates Z: 14 16.587 2.039 0.817 0.453 0.846 0.462 CB 1.540 14 residues pruned to eliminate duplicates Z: 15 17.705 1.996 0.238 0.939 1.000 1.000 CB 1.330 15 residues pruned to eliminate duplicates Z: 11 12.969 1.979 0.302 0.849 1.000 0.800 CB 1.180 11 residues pruned to eliminate duplicates Z: 13 5.747 1.750 0.081 0.373 0.833 0.500 CB 1.205 8 residues pruned to eliminate duplicates Z: 16 32.743 2.276 1.184 0.523 1.000 0.867 CA 1.663 16 residues pruned to eliminate duplicates Z: 8 8.479 1.911 -0.074 0.607 1.000 0.571 N 1.636 9 residues pruned to eliminate duplicates Z: 14 33.557 2.046 1.122 0.911 1.000 0.846 CB 1.519 Z: 9 12.146 1.740 0.635 0.901 1.000 0.875 CB 1.078 9 residues pruned to eliminate duplicates Z: 14 22.647 2.029 0.785 0.816 0.846 0.538 CA 1.557 14 residues pruned to eliminate duplicates Z: 16 21.896 2.056 0.541 0.878 0.933 0.867 CB 1.388 16 residues pruned to eliminate duplicates Z: 60 64.048 2.279 0.860 0.634 0.983 0.746 CA 1.765 60 residues pruned to eliminate duplicates 6 1.490 1.348 0.729 0.317 0.400 0.400 CB 0.875 ? Z: 15 29.113 2.076 0.960 0.937 1.000 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 11 16.629 1.906 0.511 0.853 1.000 0.600 CB 1.349 10 residues pruned to eliminate duplicates Z: 9 11.348 1.988 0.308 0.881 0.875 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 16 24.322 1.804 0.977 0.878 1.000 0.733 CB 1.277 16 residues pruned to eliminate duplicates Z: 15 29.936 1.989 0.867 0.904 1.000 0.857 CA 1.535 15 residues pruned to eliminate duplicates Z: 65 65.989 2.335 0.913 0.603 0.953 0.688 CB 1.757 65 residues pruned to eliminate duplicates Z: 9 4.377 1.715 0.356 0.309 0.750 0.500 CB 1.097 9 residues pruned to eliminate duplicates Z: 16 31.117 2.054 0.886 0.907 1.000 0.933 CB 1.474 16 residues pruned to eliminate duplicates Z: 12 10.154 1.901 0.203 0.852 0.818 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 12.636 1.791 0.737 0.574 0.917 0.583 CB 1.191 13 residues pruned to eliminate duplicates Z: 58 66.433 2.281 0.954 0.657 0.982 0.772 CB 1.737 58 residues pruned to eliminate duplicates Z: 47 41.760 2.134 0.749 0.573 0.957 0.652 CB 1.608 47 residues pruned to eliminate duplicates Z: 63 58.391 2.276 0.872 0.570 0.935 0.677 CB 1.739 63 residues pruned to eliminate duplicates Z: 6 10.721 1.764 0.686 0.731 1.000 0.600 CB 1.310 6 residues pruned to eliminate duplicates Z: 9 6.202 1.982 0.347 0.278 0.875 0.375 CB 1.206 4 residues pruned to eliminate duplicates Z: 17 23.078 2.097 1.022 0.580 0.812 0.688 CB 1.550 13 residues pruned to eliminate duplicates Z: 10 7.723 1.775 -0.010 0.586 0.889 0.667 CB 1.518 10 residues pruned to eliminate duplicates Z: 15 17.154 2.065 0.539 0.712 0.929 0.571 CB 1.282 15 residues pruned to eliminate duplicates Z: 11 16.293 2.026 0.676 0.442 1.000 0.700 CB 1.610 Z: 55 58.144 2.269 0.952 0.665 0.981 0.722 CB 1.562 55 residues pruned to eliminate duplicates Z: 10 17.746 1.899 0.658 0.843 1.000 0.889 CB 1.399 10 residues pruned to eliminate duplicates Z: 11 12.115 1.808 0.676 0.817 0.900 0.700 CB 1.066 11 residues pruned to eliminate duplicates Z: 12 28.404 2.327 0.964 0.772 1.000 0.909 CB 1.473 Z: 65 64.608 2.325 0.935 0.591 0.953 0.672 CB 1.726 65 residues pruned to eliminate duplicates Z: 46 47.764 2.164 1.145 0.632 0.889 0.556 CB 1.525 46 residues pruned to eliminate duplicates Z: 56 62.977 2.292 0.924 0.651 0.964 0.673 CB 1.735 56 residues pruned to eliminate duplicates Z: 9 7.725 1.752 1.048 0.375 0.750 0.625 CA 1.159 9 residues pruned to eliminate duplicates Z: 10 6.004 1.700 -0.103 0.635 0.889 0.667 N 1.301 10 residues pruned to eliminate duplicates Z: 6 4.372 1.704 0.433 0.421 0.600 0.600 CB 1.449 6 residues pruned to eliminate duplicates Z: 55 61.141 2.257 0.913 0.682 0.981 0.815 CB 1.661 55 residues pruned to eliminate duplicates Z: 66 62.806 2.287 0.994 0.582 0.954 0.677 CB 1.655 66 residues pruned to eliminate duplicates Z: 51 50.506 2.233 1.054 0.612 0.920 0.620 CB 1.522 63 residues pruned to eliminate duplicates Z: 15 10.619 1.707 0.489 0.586 0.857 0.714 CB 1.200 15 residues pruned to eliminate duplicates Z: 46 52.592 2.284 0.985 0.664 0.978 0.711 CA 1.519 46 residues pruned to eliminate duplicates Z: 9 11.992 1.919 0.340 0.808 1.000 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 14 30.003 2.047 1.023 0.903 1.000 0.538 CB 1.432 Z: 34 35.282 2.225 0.787 0.608 0.879 0.606 CB 1.586 25 residues pruned to eliminate duplicates Z: 30 34.560 2.194 0.838 0.523 0.966 0.621 CB 1.611 41 residues pruned to eliminate duplicates Z: 27 24.466 2.030 0.721 0.598 0.885 0.346 CB 1.414 27 residues pruned to eliminate duplicates Z: 6 3.220 1.473 0.180 0.297 0.800 0.600 O 1.299 6 residues pruned to eliminate duplicates Z: 6 2.906 1.312 0.501 0.339 1.000 0.400 CB 0.787 Z: 9 5.975 1.917 -0.287 0.622 0.875 0.375 O 1.574 8 residues pruned to eliminate duplicates Z: 15 20.105 1.832 1.046 0.771 0.929 0.571 CA 1.215 15 residues pruned to eliminate duplicates 6 0.510 1.363 0.155 0.278 0.600 0.600 CA 0.310 ? Z: 10 8.610 1.840 1.078 0.344 0.667 0.444 C 1.334 10 residues pruned to eliminate duplicates Z: 15 31.755 2.118 0.972 0.920 1.000 0.571 CB 1.431 15 residues pruned to eliminate duplicates Z: 15 30.731 2.157 0.744 0.921 1.000 0.929 CB 1.537 15 residues pruned to eliminate duplicates Z: 7 5.014 1.707 -0.257 0.878 1.000 1.000 CB 1.171 Z: 7 4.692 1.613 -0.216 0.858 1.000 0.833 N 1.114 Z: 45 54.159 2.251 1.134 0.566 0.955 0.682 CB 1.671 45 residues pruned to eliminate duplicates Z: 16 35.557 2.110 1.008 0.945 1.000 0.667 CB 1.500 16 residues pruned to eliminate duplicates Z: 10 9.237 1.721 1.106 0.786 0.889 0.444 CB 0.743 10 residues pruned to eliminate duplicates Z: 6 5.145 1.893 0.349 0.440 0.600 0.600 O 1.597 6 residues pruned to eliminate duplicates Z: 7 11.882 1.974 0.965 0.750 1.000 0.833 N 1.000 Z: 14 10.905 1.859 0.275 0.783 0.769 0.538 CB 1.293 12 residues pruned to eliminate duplicates Z: 8 6.142 1.679 -0.022 0.664 1.000 0.714 CB 1.215 Z: 75 69.775 2.267 1.002 0.613 0.973 0.689 CA 1.650 78 residues pruned to eliminate duplicates Z: 38 49.319 2.258 1.081 0.580 0.919 0.622 CA 1.739 41 residues pruned to eliminate duplicates Z: 8 4.604 1.588 -0.158 0.723 1.000 0.714 CB 1.064 8 residues pruned to eliminate duplicates Z: 8 9.222 1.716 0.325 0.769 0.857 0.571 CA 1.409 8 residues pruned to eliminate duplicates 6 1.397 1.208 0.707 0.379 0.600 0.600 CB 0.575 ? Z: 14 33.052 2.199 0.825 0.951 1.000 0.769 CB 1.574 14 residues pruned to eliminate duplicates Z: 6 4.456 1.503 1.028 0.430 0.600 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 8 4.273 1.872 0.301 0.413 0.714 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 24 15.850 1.861 0.725 0.399 0.870 0.609 CB 1.317 24 residues pruned to eliminate duplicates Z: 19 25.523 2.150 0.947 0.625 0.833 0.611 CB 1.533 19 residues pruned to eliminate duplicates Z: 11 11.766 1.872 0.501 0.613 0.900 0.700 CB 1.322 11 residues pruned to eliminate duplicates Z: 12 11.027 1.845 0.276 0.822 0.818 0.727 CA 1.306 12 residues pruned to eliminate duplicates Z: 45 40.157 2.147 1.103 0.534 0.886 0.545 CB 1.463 46 residues pruned to eliminate duplicates Z: 8 8.243 1.917 -0.094 0.651 1.000 0.571 N 1.558 Z: 14 14.245 1.986 0.984 0.360 0.769 0.462 CA 1.516 14 residues pruned to eliminate duplicates Z: 16 22.139 2.159 0.528 0.737 0.867 0.533 CB 1.616 16 residues pruned to eliminate duplicates Z: 12 7.494 1.813 0.020 0.801 0.909 0.818 CB 1.034 12 residues pruned to eliminate duplicates Z: 18 26.667 2.162 0.859 0.494 0.941 0.471 CA 1.720 18 residues pruned to eliminate duplicates Z: 57 42.359 2.105 0.704 0.593 0.946 0.714 CB 1.525 64 residues pruned to eliminate duplicates Z: 7 6.034 1.912 -0.222 0.783 1.000 0.833 CB 1.290 7 residues pruned to eliminate duplicates Z: 25 29.297 2.088 0.945 0.618 0.875 0.542 CB 1.505 31 residues pruned to eliminate duplicates Z: 31 22.290 2.048 0.870 0.507 0.800 0.500 CB 1.319 20 residues pruned to eliminate duplicates Z: 18 37.488 2.203 1.088 0.645 1.000 0.941 CA 1.727 26 residues pruned to eliminate duplicates Z: 61 37.520 2.093 0.696 0.516 0.883 0.667 CA 1.520 68 residues pruned to eliminate duplicates Z: 14 25.705 2.295 0.612 0.764 0.923 0.615 CB 1.651 14 residues pruned to eliminate duplicates Z: 8 6.576 1.683 -0.014 0.745 1.000 0.857 CB 1.203 7 residues pruned to eliminate duplicates Z: 12 16.822 1.792 0.791 0.858 1.000 0.818 CB 1.164 12 residues pruned to eliminate duplicates Z: 21 20.444 2.092 0.895 0.652 0.700 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 9 7.162 1.802 0.033 0.614 0.875 0.500 CB 1.396 8 residues pruned to eliminate duplicates Z: 13 30.780 2.140 1.170 0.872 0.917 0.583 CB 1.521 13 residues pruned to eliminate duplicates Z: 7 4.912 1.753 1.227 0.297 0.500 0.333 N 1.289 Z: 7 3.505 1.820 0.336 0.417 0.667 0.500 CB 0.963 7 residues pruned to eliminate duplicates Z: 9 6.094 1.654 0.109 0.680 0.875 0.625 CB 1.138 Z: 16 20.148 2.234 0.901 0.337 0.867 0.533 CB 1.689 16 residues pruned to eliminate duplicates Z: 49 42.630 2.193 0.753 0.584 0.938 0.625 CA 1.575 49 residues pruned to eliminate duplicates Z: 63 58.728 2.176 0.937 0.644 0.968 0.742 CB 1.598 63 residues pruned to eliminate duplicates Z: 13 16.365 1.737 0.863 0.768 1.000 0.500 CB 1.152 13 residues pruned to eliminate duplicates Z: 15 36.578 2.116 1.087 0.946 1.000 0.571 CA 1.531 15 residues pruned to eliminate duplicates Z: 13 18.642 2.099 0.606 0.800 0.917 0.667 CA 1.339 13 residues pruned to eliminate duplicates 6 1.077 1.169 -0.070 0.368 1.000 0.400 N 0.510 ? Z: 70 66.281 2.273 0.968 0.582 0.971 0.768 CB 1.698 70 residues pruned to eliminate duplicates Z: 15 24.710 2.024 0.727 0.923 1.000 0.929 CB 1.328 15 residues pruned to eliminate duplicates Z: 9 7.097 1.623 0.405 0.589 0.875 0.500 O 1.155 Z: 24 34.677 2.142 1.072 0.706 0.957 0.826 CB 1.412 14 residues pruned to eliminate duplicates Z: 6 3.226 1.465 0.473 0.423 1.000 1.000 CB 0.725 Z: 7 8.329 1.715 0.943 0.710 1.000 0.667 N 0.843 7 residues pruned to eliminate duplicates Z: 59 50.952 2.180 1.047 0.549 0.948 0.707 CB 1.507 59 residues pruned to eliminate duplicates Z: 8 5.505 1.574 0.107 0.542 1.000 0.571 CB 1.146 Z: 12 7.059 1.622 0.043 0.613 0.909 0.636 CB 1.244 8 residues pruned to eliminate duplicates Z: 11 18.681 1.984 0.764 0.770 1.000 0.600 CB 1.330 11 residues pruned to eliminate duplicates Z: 13 25.518 1.982 1.021 0.879 1.000 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 11 16.489 1.935 0.543 0.850 0.900 0.600 CB 1.439 11 residues pruned to eliminate duplicates Z: 53 68.737 2.354 1.022 0.698 0.962 0.731 CA 1.739 53 residues pruned to eliminate duplicates Z: 16 32.183 2.150 1.173 0.568 1.000 0.800 CB 1.666 16 residues pruned to eliminate duplicates Z: 14 12.778 1.922 0.872 0.372 0.769 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 12 22.698 2.152 0.770 0.743 1.000 0.636 CB 1.445 12 residues pruned to eliminate duplicates Z: 39 51.942 2.289 1.022 0.628 0.947 0.816 CB 1.704 39 residues pruned to eliminate duplicates Z: 10 12.063 1.858 0.599 0.756 0.778 0.333 CB 1.385 10 residues pruned to eliminate duplicates Z: 19 15.173 1.906 0.812 0.453 0.833 0.278 CB 1.304 19 residues pruned to eliminate duplicates Z: 16 30.351 1.901 0.959 0.873 1.000 0.800 CB 1.532 16 residues pruned to eliminate duplicates Z: 9 8.700 1.744 0.639 0.562 0.750 0.625 CA 1.351 9 residues pruned to eliminate duplicates Z: 6 3.464 1.569 -0.009 0.530 0.800 0.600 N 1.209 Z: 49 56.416 2.303 0.812 0.651 0.979 0.812 CA 1.731 49 residues pruned to eliminate duplicates Z: 6 2.058 1.387 0.070 0.346 0.800 0.400 N 0.916 Z: 6 5.551 1.636 0.524 0.509 1.000 0.800 CA 0.986 6 residues pruned to eliminate duplicates Z: 31 37.457 2.205 0.983 0.473 0.933 0.533 CA 1.722 31 residues pruned to eliminate duplicates Z: 59 58.412 2.235 0.920 0.640 0.948 0.741 CB 1.653 59 residues pruned to eliminate duplicates Z: 14 16.672 1.817 1.003 0.858 0.846 0.692 CB 1.105 14 residues pruned to eliminate duplicates Z: 40 47.370 2.263 1.133 0.593 0.949 0.692 CA 1.515 40 residues pruned to eliminate duplicates Z: 57 57.263 2.229 0.941 0.625 0.964 0.750 CB 1.630 57 residues pruned to eliminate duplicates Z: 11 4.899 1.764 0.333 0.185 0.700 0.400 CB 1.374 11 residues pruned to eliminate duplicates Z: 8 11.355 2.057 0.494 0.412 1.000 0.571 CB 1.530 8 residues pruned to eliminate duplicates Z: 14 18.497 2.040 0.739 0.484 0.923 0.692 CB 1.592 14 residues pruned to eliminate duplicates Z: 9 7.491 1.756 -0.175 0.732 1.000 0.375 N 1.483 Z: 18 24.155 1.862 0.918 0.738 1.000 0.588 CB 1.325 18 residues pruned to eliminate duplicates Z: 6 2.917 1.388 0.250 0.616 1.000 0.600 CB 0.674 Z: 44 42.292 2.123 0.915 0.650 0.930 0.674 CB 1.483 14 residues pruned to eliminate duplicates Z: 6 3.102 1.430 1.127 0.294 0.800 0.400 CB 0.718 Z: 82 61.831 2.106 1.006 0.639 0.938 0.654 CB 1.522 117 residues pruned to eliminate duplicates Z: 25 38.219 2.314 1.196 0.519 0.958 0.708 CA 1.572 25 residues pruned to eliminate duplicates Z: 6 3.401 1.545 0.116 0.448 0.800 0.400 O 1.163 Z: 23 41.045 2.281 1.116 0.616 0.955 0.818 CB 1.702 23 residues pruned to eliminate duplicates Z: 14 27.714 2.230 0.990 0.579 1.000 0.538 CA 1.605 14 residues pruned to eliminate duplicates Z: 14 30.266 2.086 1.028 0.889 0.923 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 24 36.938 2.190 1.118 0.648 0.913 0.870 CB 1.584 24 residues pruned to eliminate duplicates Z: 9 2.407 1.539 -0.058 0.187 0.750 0.375 CB 1.138 Z: 29 37.336 2.206 1.123 0.524 0.929 0.714 CB 1.584 39 residues pruned to eliminate duplicates Z: 25 22.043 1.934 1.073 0.490 0.833 0.625 CB 1.360 25 residues pruned to eliminate duplicates Z: 7 3.001 1.353 0.586 0.448 0.833 0.500 CB 0.723 Z: 22 35.273 2.087 1.077 0.845 0.952 0.667 CB 1.386 20 residues pruned to eliminate duplicates Z: 14 14.719 2.015 0.416 0.737 0.846 0.385 CB 1.367 14 residues pruned to eliminate duplicates Z: 52 50.500 2.278 1.108 0.538 0.882 0.549 CB 1.608 86 residues pruned to eliminate duplicates Z: 8 2.474 1.459 0.039 0.180 0.857 0.286 CB 1.059 8 residues pruned to eliminate duplicates Z: 6 3.203 1.400 0.431 0.364 0.800 0.800 N 1.034 Z: 12 11.769 1.887 0.621 0.561 0.818 0.545 CA 1.337 12 residues pruned to eliminate duplicates Z: 11 16.159 1.852 0.663 0.796 0.900 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 32 42.521 2.279 1.121 0.580 0.839 0.613 CA 1.744 32 residues pruned to eliminate duplicates Z: 6 3.629 1.737 -0.246 0.570 0.800 0.600 N 1.449 6 residues pruned to eliminate duplicates Z: 15 7.722 1.701 1.085 0.420 0.786 0.571 CB 0.805 15 residues pruned to eliminate duplicates Z: 52 61.384 2.309 0.875 0.626 1.000 0.725 CA 1.763 52 residues pruned to eliminate duplicates Z: 26 28.199 2.142 1.070 0.423 0.880 0.640 CB 1.567 26 residues pruned to eliminate duplicates Z: 6 2.077 1.427 0.442 0.349 0.800 0.600 CB 0.665 Z: 9 2.760 1.401 0.396 0.397 0.625 0.375 N 0.890 Z: 65 59.021 2.226 0.888 0.611 0.969 0.766 CB 1.631 61 residues pruned to eliminate duplicates Z: 7 7.099 1.884 0.342 0.786 0.833 0.667 CA 1.070 7 residues pruned to eliminate duplicates Z: 9 3.390 1.318 0.156 0.377 1.000 0.625 CB 0.897 7 residues pruned to eliminate duplicates Z: 12 7.468 1.949 0.644 0.244 0.727 0.364 CB 1.300 12 residues pruned to eliminate duplicates Z: 64 58.774 2.268 0.850 0.582 0.968 0.683 CB 1.683 64 residues pruned to eliminate duplicates Z: 55 68.055 2.370 0.906 0.675 0.981 0.815 CB 1.778 55 residues pruned to eliminate duplicates Z: 6 3.907 1.542 0.619 0.384 0.800 0.600 CB 0.989 Z: 13 23.568 2.010 0.974 0.884 0.917 0.333 CB 1.351 Z: 25 40.959 2.190 1.199 0.710 0.917 0.708 CB 1.565 Z: 66 69.361 2.336 1.040 0.615 0.938 0.723 CA 1.726 66 residues pruned to eliminate duplicates Z: 7 7.435 1.752 0.033 0.810 1.000 1.000 O 1.280 7 residues pruned to eliminate duplicates Z: 24 37.449 2.230 0.923 0.626 0.957 0.739 CB 1.691 24 residues pruned to eliminate duplicates Z: 27 21.815 2.045 0.513 0.478 0.885 0.692 CB 1.597 26 residues pruned to eliminate duplicates Z: 27 31.129 2.254 0.936 0.459 0.923 0.846 CB 1.581 52 residues pruned to eliminate duplicates Z: 27 42.171 2.198 1.087 0.720 0.962 0.692 CB 1.537 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.421 1.495 0.973 0.467 1.000 0.500 CA 0.776 Z: 6 5.311 1.619 0.689 0.418 1.000 1.000 CA 0.946 Z: 16 26.989 2.126 1.146 0.644 0.867 0.600 CB 1.540 Z: 14 30.056 2.159 0.994 0.807 1.000 0.385 CB 1.482 14 residues pruned to eliminate duplicates Z: 15 27.521 1.976 0.981 0.876 1.000 0.429 CB 1.366 16 residues pruned to eliminate duplicates Z: 13 35.927 2.246 1.196 0.889 1.000 0.667 CB 1.514 15 residues pruned to eliminate duplicates Z: 13 26.467 2.163 0.941 0.887 0.917 0.583 CB 1.431 13 residues pruned to eliminate duplicates Z: 26 44.562 2.257 1.261 0.729 0.920 0.720 CB 1.545 27 residues pruned to eliminate duplicates Z: 15 30.454 2.083 1.091 0.878 0.929 0.571 CA 1.460 14 residues pruned to eliminate duplicates Z: 15 29.646 2.004 1.064 0.829 0.929 0.357 CB 1.552 15 residues pruned to eliminate duplicates Z: 45 43.487 2.218 0.959 0.620 0.886 0.500 CB 1.521 71 residues pruned to eliminate duplicates Z: 40 34.344 2.139 0.998 0.616 0.846 0.564 CB 1.363 Z: 14 31.466 2.122 1.080 0.894 0.923 0.769 CB 1.536 14 residues pruned to eliminate duplicates Z: 30 26.888 2.028 0.857 0.539 0.828 0.414 CA 1.543 30 residues pruned to eliminate duplicates Z: 38 44.980 2.222 1.036 0.666 0.892 0.595 CB 1.572 38 residues pruned to eliminate duplicates Z: 24 30.897 2.100 0.834 0.793 0.870 0.783 CB 1.488 24 residues pruned to eliminate duplicates Z: 28 27.860 2.083 0.743 0.623 0.889 0.704 CB 1.479 28 residues pruned to eliminate duplicates Z: 34 25.905 2.062 0.672 0.571 0.818 0.636 CB 1.493 27 residues pruned to eliminate duplicates Z: 23 33.687 2.047 1.016 0.770 0.955 0.455 CB 1.436 23 residues pruned to eliminate duplicates Z: 39 39.194 2.115 1.077 0.658 0.842 0.579 CB 1.484 39 residues pruned to eliminate duplicates Z: 36 42.155 2.154 1.030 0.628 0.914 0.657 CA 1.579 36 residues pruned to eliminate duplicates Z: 35 30.515 2.079 0.902 0.593 0.824 0.441 CB 1.471 82 residues pruned to eliminate duplicates Z: 11 16.756 2.109 0.543 0.709 0.900 0.400 CB 1.497 Z: 11 18.499 1.979 0.681 0.867 0.900 0.300 CA 1.430 11 residues pruned to eliminate duplicates Z: 6 3.146 1.812 0.339 0.228 0.600 0.000 CA 1.329 5 residues pruned to eliminate duplicates Z: 14 15.927 1.877 0.930 0.564 0.846 0.385 CB 1.354 13 residues pruned to eliminate duplicates Z: 7 4.663 1.374 0.783 0.471 1.000 0.500 CA 0.800 Z: 6 6.366 1.580 1.191 0.296 1.000 0.400 CA 1.033 6 residues pruned to eliminate duplicates Z: 15 23.755 2.231 1.234 0.555 0.714 0.571 CA 1.691 22 residues pruned to eliminate duplicates Z: 45 48.453 2.209 1.136 0.631 0.932 0.682 CB 1.469 46 residues pruned to eliminate duplicates Z: 6 3.985 1.621 1.016 0.294 0.800 0.400 CA 0.858 6 residues pruned to eliminate duplicates Z: 29 36.349 2.130 1.154 0.595 0.893 0.643 CB 1.531 29 residues pruned to eliminate duplicates Z: 39 37.940 2.142 1.031 0.647 0.842 0.526 CB 1.464 39 residues pruned to eliminate duplicates Z: 39 40.403 2.154 1.072 0.651 0.868 0.605 CB 1.469 35 residues pruned to eliminate duplicates Z: 16 28.138 2.159 1.223 0.718 0.867 0.467 CB 1.434 16 residues pruned to eliminate duplicates Z: 38 38.781 2.059 1.101 0.597 0.865 0.459 CB 1.553 38 residues pruned to eliminate duplicates Z: 27 36.757 2.208 1.086 0.659 0.885 0.500 CB 1.527 27 residues pruned to eliminate duplicates Z: 27 38.594 2.186 1.116 0.663 0.885 0.615 CB 1.590 27 residues pruned to eliminate duplicates Z: 104 74.587 2.279 0.985 0.579 0.913 0.660 CB 1.651 104 residues pruned to eliminate duplicates Z: 35 35.301 2.136 0.937 0.630 0.941 0.647 CB 1.377 35 residues pruned to eliminate duplicates Z: 47 35.993 2.118 0.910 0.569 0.848 0.522 CB 1.448 47 residues pruned to eliminate duplicates Z: 27 41.201 2.201 1.206 0.722 0.923 0.577 CB 1.476 27 residues pruned to eliminate duplicates Z: 31 31.965 2.122 0.971 0.638 0.800 0.567 CB 1.533 31 residues pruned to eliminate duplicates Z: 47 37.100 2.142 0.864 0.553 0.870 0.609 CB 1.497 48 residues pruned to eliminate duplicates Z: 14 33.762 2.146 1.093 0.910 1.000 1.000 CB 1.478 14 residues pruned to eliminate duplicates Z: 27 43.173 2.231 1.179 0.677 0.923 0.577 CB 1.602 27 residues pruned to eliminate duplicates Z: 15 32.378 2.025 1.052 0.811 1.000 0.571 CB 1.588 15 residues pruned to eliminate duplicates Z: 37 39.735 2.123 0.943 0.675 0.917 0.611 CB 1.490 37 residues pruned to eliminate duplicates Z: 39 39.925 2.151 1.070 0.630 0.868 0.632 CB 1.482 39 residues pruned to eliminate duplicates Z: 20 14.950 1.841 0.422 0.586 0.842 0.474 CB 1.433 38 residues pruned to eliminate duplicates Z: 14 13.715 1.818 0.750 0.602 0.923 0.615 CB 1.175 14 residues pruned to eliminate duplicates Z: 24 15.095 2.035 0.596 0.481 0.783 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 12 13.607 1.948 0.707 0.636 0.818 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 10 16.497 1.986 0.873 0.767 0.889 0.778 CA 1.312 10 residues pruned to eliminate duplicates Z: 12 17.124 1.924 0.910 0.656 0.818 0.636 CB 1.485 12 residues pruned to eliminate duplicates Z: 18 15.046 1.967 0.575 0.544 0.882 0.412 CB 1.279 18 residues pruned to eliminate duplicates Z: 21 17.837 2.021 0.794 0.501 0.850 0.450 CB 1.293 21 residues pruned to eliminate duplicates Z: 7 5.291 1.650 0.834 0.358 0.667 0.667 CB 1.248 7 residues pruned to eliminate duplicates Z: 9 8.899 2.027 0.528 0.378 0.875 0.375 CB 1.322 9 residues pruned to eliminate duplicates Z: 24 13.638 2.087 0.461 0.264 0.826 0.391 CB 1.478 24 residues pruned to eliminate duplicates Z: 10 8.910 2.098 0.760 0.270 0.889 0.444 CB 1.176 10 residues pruned to eliminate duplicates Z: 13 10.329 1.996 0.383 0.393 0.917 0.333 CB 1.320 13 residues pruned to eliminate duplicates Z: 33 26.079 2.118 0.829 0.488 0.844 0.469 CB 1.427 33 residues pruned to eliminate duplicates Z: 8 4.870 1.958 0.813 0.087 0.714 0.143 CB 1.237 8 residues pruned to eliminate duplicates Z: 11 9.868 1.926 0.819 0.408 0.800 0.500 CB 1.227 11 residues pruned to eliminate duplicates Z: 65 62.670 2.306 0.855 0.594 0.953 0.703 CA 1.757 65 residues pruned to eliminate duplicates Z: 67 60.465 2.284 0.827 0.565 0.970 0.652 CB 1.727 67 residues pruned to eliminate duplicates Z: 70 59.597 2.257 0.904 0.554 0.942 0.739 CB 1.681 70 residues pruned to eliminate duplicates Z: 65 61.044 2.294 0.876 0.577 0.938 0.719 CB 1.757 65 residues pruned to eliminate duplicates Z: 67 63.896 2.262 0.926 0.580 0.955 0.682 CB 1.751 67 residues pruned to eliminate duplicates Z: 62 60.201 2.253 0.928 0.583 0.951 0.689 CB 1.722 62 residues pruned to eliminate duplicates Z: 65 60.885 2.312 0.808 0.586 0.953 0.688 CA 1.758 65 residues pruned to eliminate duplicates Z: 70 60.990 2.299 0.867 0.542 0.942 0.623 CB 1.743 70 residues pruned to eliminate duplicates Z: 60 58.083 2.269 0.825 0.616 0.949 0.729 CA 1.724 60 residues pruned to eliminate duplicates Z: 65 57.673 2.279 0.845 0.569 0.953 0.688 CB 1.683 65 residues pruned to eliminate duplicates Z: 66 65.702 2.271 0.963 0.596 0.969 0.723 CB 1.722 66 residues pruned to eliminate duplicates Z: 66 53.163 2.246 0.792 0.562 0.923 0.662 CB 1.670 66 residues pruned to eliminate duplicates Z: 70 58.505 2.272 0.900 0.552 0.928 0.667 CB 1.672 70 residues pruned to eliminate duplicates Z: 62 65.373 2.307 0.919 0.608 0.967 0.721 CB 1.764 62 residues pruned to eliminate duplicates Z: 61 60.286 2.290 0.874 0.594 0.950 0.650 CB 1.745 61 residues pruned to eliminate duplicates Z: 68 59.583 2.245 0.899 0.567 0.940 0.612 CA 1.702 68 residues pruned to eliminate duplicates Z: 64 64.359 2.282 0.941 0.579 0.984 0.698 CB 1.724 64 residues pruned to eliminate duplicates Z: 66 65.244 2.300 0.955 0.584 0.954 0.631 CB 1.740 66 residues pruned to eliminate duplicates Z: 61 61.044 2.285 0.922 0.596 0.933 0.650 CB 1.754 61 residues pruned to eliminate duplicates Z: 65 61.606 2.280 0.945 0.574 0.922 0.734 CB 1.754 65 residues pruned to eliminate duplicates Z: 63 60.424 2.266 0.893 0.588 0.935 0.661 CB 1.757 63 residues pruned to eliminate duplicates Z: 111 87.797 2.317 0.957 0.627 0.945 0.727 CB 1.733 111 residues pruned to eliminate duplicates Z: 60 61.520 2.278 0.905 0.621 0.949 0.729 CA 1.735 60 residues pruned to eliminate duplicates Z: 65 60.712 2.282 0.949 0.567 0.922 0.641 CB 1.734 65 residues pruned to eliminate duplicates Z: 66 63.831 2.301 0.915 0.581 0.954 0.662 CB 1.744 66 residues pruned to eliminate duplicates Z: 63 68.369 2.303 1.015 0.600 0.984 0.677 CB 1.729 63 residues pruned to eliminate duplicates Z: 60 69.342 2.301 1.041 0.611 0.966 0.678 CA 1.791 60 residues pruned to eliminate duplicates Z: 64 63.092 2.277 0.967 0.580 0.937 0.683 CA 1.756 64 residues pruned to eliminate duplicates Z: 64 69.013 2.273 0.992 0.600 0.968 0.730 CA 1.802 64 residues pruned to eliminate duplicates Z: 45 48.212 2.171 0.921 0.635 0.932 0.614 CA 1.648 45 residues pruned to eliminate duplicates Z: 66 65.166 2.272 0.997 0.584 0.954 0.692 CB 1.722 66 residues pruned to eliminate duplicates Z: 62 63.266 2.271 0.982 0.598 0.934 0.705 CB 1.753 62 residues pruned to eliminate duplicates Z: 99 68.989 2.230 1.040 0.571 0.898 0.602 CB 1.592 27 residues pruned to eliminate duplicates Z: 12 15.604 1.942 0.686 0.760 0.818 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 66 63.983 2.278 0.960 0.583 0.954 0.631 CB 1.721 66 residues pruned to eliminate duplicates Z: 62 60.310 2.276 0.940 0.593 0.951 0.705 CB 1.683 62 residues pruned to eliminate duplicates Z: 64 62.077 2.252 0.947 0.578 0.968 0.698 CB 1.708 64 residues pruned to eliminate duplicates Z: 65 65.243 2.297 0.979 0.572 0.953 0.703 CB 1.757 65 residues pruned to eliminate duplicates Z: 65 64.767 2.297 0.982 0.587 0.938 0.734 CB 1.744 65 residues pruned to eliminate duplicates Z: 63 64.945 2.293 0.974 0.584 0.952 0.661 CA 1.766 63 residues pruned to eliminate duplicates Z: 71 58.938 2.274 0.864 0.537 0.929 0.714 CB 1.726 71 residues pruned to eliminate duplicates Z: 66 67.393 2.288 0.959 0.596 0.985 0.631 CB 1.728 66 residues pruned to eliminate duplicates Z: 65 71.128 2.310 1.015 0.604 0.984 0.656 CB 1.757 72 residues pruned to eliminate duplicates Z: 8 13.507 2.106 0.894 0.519 0.857 0.429 CA 1.466 8 residues pruned to eliminate duplicates Z: 66 64.515 2.296 0.999 0.573 0.923 0.708 CB 1.761 66 residues pruned to eliminate duplicates Z: 66 64.186 2.289 0.956 0.586 0.938 0.754 CB 1.745 66 residues pruned to eliminate duplicates Z: 63 68.809 2.313 1.012 0.598 0.984 0.710 CB 1.739 63 residues pruned to eliminate duplicates Z: 66 63.381 2.274 1.027 0.579 0.908 0.585 CA 1.741 66 residues pruned to eliminate duplicates Z: 66 63.516 2.310 0.911 0.589 0.938 0.738 CB 1.746 66 residues pruned to eliminate duplicates Z: 62 67.690 2.301 0.969 0.609 0.984 0.738 CB 1.755 62 residues pruned to eliminate duplicates Z: 66 62.737 2.301 0.897 0.581 0.938 0.662 CB 1.757 66 residues pruned to eliminate duplicates Z: 70 58.297 2.244 0.909 0.557 0.913 0.739 CA 1.697 70 residues pruned to eliminate duplicates Z: 65 65.919 2.285 0.967 0.607 0.953 0.672 CB 1.737 65 residues pruned to eliminate duplicates Z: 66 65.960 2.299 0.951 0.589 0.954 0.677 CB 1.757 66 residues pruned to eliminate duplicates Z: 71 59.735 2.207 0.932 0.568 0.943 0.671 CB 1.662 71 residues pruned to eliminate duplicates Z: 60 66.101 2.258 1.000 0.632 0.966 0.678 CB 1.743 60 residues pruned to eliminate duplicates Z: 133 89.000 2.299 0.960 0.587 0.932 0.720 CB 1.698 162 residues pruned to eliminate duplicates Z: 6 4.055 1.674 1.005 0.298 1.000 0.400 CA 0.677 6 residues pruned to eliminate duplicates Z: 67 66.277 2.318 0.986 0.599 0.939 0.697 CA 1.717 67 residues pruned to eliminate duplicates Z: 10 7.147 1.785 0.934 0.261 0.778 0.444 C 1.167 10 residues pruned to eliminate duplicates Z: 10 9.233 1.911 0.823 0.294 1.000 0.444 CB 1.113 10 residues pruned to eliminate duplicates Z: 67 68.118 2.330 1.026 0.570 0.970 0.667 CB 1.712 67 residues pruned to eliminate duplicates Z: 67 68.742 2.317 1.047 0.580 0.970 0.758 CA 1.703 67 residues pruned to eliminate duplicates Z: 64 71.007 2.352 1.089 0.593 0.952 0.746 CA 1.750 64 residues pruned to eliminate duplicates Z: 61 70.391 2.362 1.114 0.615 0.967 0.733 CA 1.688 61 residues pruned to eliminate duplicates Z: 67 63.467 2.312 0.928 0.587 0.939 0.697 CB 1.716 67 residues pruned to eliminate duplicates Z: 64 68.959 2.352 0.923 0.609 0.984 0.714 CB 1.761 64 residues pruned to eliminate duplicates Z: 66 69.359 2.339 0.995 0.603 0.969 0.723 CA 1.724 66 residues pruned to eliminate duplicates Z: 65 67.979 2.359 0.978 0.598 0.953 0.719 CA 1.740 65 residues pruned to eliminate duplicates Z: 36 44.722 2.280 1.057 0.613 0.971 0.800 CA 1.491 36 residues pruned to eliminate duplicates Z: 65 70.760 2.344 1.055 0.595 0.969 0.703 CA 1.731 65 residues pruned to eliminate duplicates Z: 67 62.879 2.322 0.857 0.593 0.955 0.742 CA 1.721 67 residues pruned to eliminate duplicates Z: 64 69.185 2.359 1.039 0.586 0.968 0.730 CB 1.724 64 residues pruned to eliminate duplicates Z: 66 70.490 2.330 1.088 0.569 0.985 0.677 CA 1.708 66 residues pruned to eliminate duplicates Z: 62 69.515 2.340 1.072 0.650 0.918 0.787 CA 1.738 62 residues pruned to eliminate duplicates Z: 56 68.766 2.359 0.992 0.647 0.982 0.655 CB 1.752 56 residues pruned to eliminate duplicates Z: 64 71.453 2.359 1.052 0.590 0.968 0.651 CB 1.762 64 residues pruned to eliminate duplicates Z: 88 76.829 2.358 1.050 0.594 0.908 0.540 CB 1.716 88 residues pruned to eliminate duplicates Z: 65 67.477 2.336 1.030 0.590 0.953 0.656 CB 1.712 65 residues pruned to eliminate duplicates Z: 58 53.207 2.255 1.058 0.544 0.930 0.614 CA 1.565 58 residues pruned to eliminate duplicates Z: 55 73.456 2.389 1.051 0.636 1.000 0.685 CA 1.796 55 residues pruned to eliminate duplicates Z: 67 65.282 2.324 1.039 0.568 0.939 0.636 CA 1.690 67 residues pruned to eliminate duplicates Z: 65 66.339 2.330 0.994 0.581 0.953 0.641 CA 1.733 65 residues pruned to eliminate duplicates Z: 66 67.323 2.340 1.072 0.577 0.938 0.677 CA 1.704 66 residues pruned to eliminate duplicates Z: 56 67.584 2.352 1.057 0.630 0.964 0.691 CA 1.730 56 residues pruned to eliminate duplicates Z: 65 68.575 2.363 1.048 0.590 0.938 0.734 CA 1.733 65 residues pruned to eliminate duplicates Z: 65 70.814 2.356 1.033 0.586 0.969 0.672 CA 1.756 65 residues pruned to eliminate duplicates Z: 65 69.733 2.357 0.989 0.595 0.984 0.672 CA 1.725 65 residues pruned to eliminate duplicates Z: 57 67.450 2.346 1.016 0.633 1.000 0.714 CA 1.683 57 residues pruned to eliminate duplicates Z: 57 70.605 2.358 1.049 0.651 0.982 0.679 CB 1.727 57 residues pruned to eliminate duplicates Z: 66 66.799 2.334 0.980 0.593 0.954 0.692 CA 1.720 66 residues pruned to eliminate duplicates Z: 55 75.754 2.402 1.070 0.657 1.000 0.648 CB 1.792 55 residues pruned to eliminate duplicates Z: 64 70.179 2.366 1.112 0.574 0.937 0.635 CB 1.760 64 residues pruned to eliminate duplicates Z: 68 66.910 2.294 1.087 0.575 0.970 0.642 CA 1.637 68 residues pruned to eliminate duplicates Z: 68 61.668 2.276 1.067 0.563 0.896 0.672 CB 1.683 68 residues pruned to eliminate duplicates Z: 70 63.074 2.293 1.033 0.548 0.942 0.652 CB 1.651 70 residues pruned to eliminate duplicates Z: 66 71.587 2.342 1.066 0.590 0.969 0.708 CB 1.737 66 residues pruned to eliminate duplicates Z: 70 62.604 2.282 0.994 0.546 0.942 0.565 CA 1.681 70 residues pruned to eliminate duplicates Z: 64 73.125 2.353 1.108 0.594 0.968 0.635 CA 1.753 64 residues pruned to eliminate duplicates Z: 64 71.175 2.370 1.058 0.600 0.952 0.698 CB 1.754 64 residues pruned to eliminate duplicates Z: 89 79.879 2.354 1.095 0.601 0.943 0.659 CB 1.663 89 residues pruned to eliminate duplicates Z: 54 73.740 2.394 1.025 0.667 1.000 0.717 CB 1.791 54 residues pruned to eliminate duplicates Z: 56 67.842 2.382 0.930 0.645 0.982 0.745 CB 1.770 56 residues pruned to eliminate duplicates Z: 66 72.031 2.348 1.092 0.581 0.985 0.662 CB 1.709 66 residues pruned to eliminate duplicates Z: 66 68.842 2.352 0.987 0.585 0.969 0.662 CA 1.737 66 residues pruned to eliminate duplicates Z: 65 67.591 2.354 0.969 0.599 0.953 0.734 CA 1.741 65 residues pruned to eliminate duplicates Z: 65 76.104 2.366 1.130 0.595 0.984 0.688 CA 1.751 65 residues pruned to eliminate duplicates Z: 54 73.757 2.390 1.018 0.680 1.000 0.755 CB 1.779 54 residues pruned to eliminate duplicates Z: 65 65.039 2.353 0.918 0.581 0.953 0.656 CB 1.749 65 residues pruned to eliminate duplicates Z: 55 69.130 2.385 0.976 0.662 0.981 0.741 CB 1.749 55 residues pruned to eliminate duplicates Z: 66 68.571 2.348 1.061 0.566 0.954 0.615 CA 1.729 66 residues pruned to eliminate duplicates Z: 57 75.676 2.382 1.107 0.639 1.000 0.714 CB 1.769 57 residues pruned to eliminate duplicates Z: 65 73.401 2.348 1.085 0.600 0.969 0.734 CA 1.760 65 residues pruned to eliminate duplicates Z: 16 31.433 2.298 0.923 0.549 1.000 0.733 CB 1.750 16 residues pruned to eliminate duplicates Z: 66 63.471 2.323 0.966 0.568 0.954 0.662 CB 1.692 66 residues pruned to eliminate duplicates Z: 132 98.728 2.325 1.051 0.599 0.916 0.679 CB 1.797 132 residues pruned to eliminate duplicates Z: 83 75.442 2.323 1.049 0.596 0.927 0.683 CB 1.723 83 residues pruned to eliminate duplicates Z: 31 40.485 2.280 1.041 0.580 0.833 0.633 CB 1.764 31 residues pruned to eliminate duplicates Z: 78 78.683 2.343 1.103 0.589 0.948 0.688 CA 1.763 78 residues pruned to eliminate duplicates Z: 29 60.301 2.400 1.325 0.673 1.000 0.536 CB 1.742 29 residues pruned to eliminate duplicates Z: 45 46.460 2.201 1.066 0.630 0.864 0.523 CB 1.577 45 residues pruned to eliminate duplicates Z: 79 76.976 2.325 1.113 0.583 0.936 0.679 CB 1.751 79 residues pruned to eliminate duplicates Z: 99 74.964 2.293 1.003 0.560 0.898 0.643 CB 1.732 99 residues pruned to eliminate duplicates Z: 40 49.653 2.282 1.174 0.642 0.872 0.538 CB 1.610 40 residues pruned to eliminate duplicates Z: 68 79.470 2.339 1.114 0.660 0.985 0.776 CA 1.718 68 residues pruned to eliminate duplicates Z: 87 76.813 2.301 0.964 0.631 0.942 0.686 CB 1.721 87 residues pruned to eliminate duplicates Z: 51 49.927 2.201 1.138 0.599 0.860 0.520 CB 1.587 51 residues pruned to eliminate duplicates Z: 18 37.855 2.304 1.183 0.580 0.941 0.765 CA 1.797 18 residues pruned to eliminate duplicates Z: 71 83.753 2.339 1.227 0.627 0.986 0.771 CA 1.729 71 residues pruned to eliminate duplicates Z: 83 87.780 2.353 1.144 0.673 0.951 0.707 CB 1.723 83 residues pruned to eliminate duplicates Z: 89 69.942 2.301 0.992 0.563 0.886 0.648 CB 1.727 89 residues pruned to eliminate duplicates Z: 21 29.633 2.142 1.015 0.505 0.950 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 9 9.360 1.987 0.946 0.422 0.750 0.250 CB 1.239 9 residues pruned to eliminate duplicates Z: 31 50.372 2.252 1.327 0.670 0.900 0.567 CB 1.666 31 residues pruned to eliminate duplicates Z: 23 31.371 2.282 1.188 0.579 0.773 0.500 CB 1.607 23 residues pruned to eliminate duplicates Z: 90 78.987 2.308 1.135 0.608 0.944 0.674 CB 1.626 90 residues pruned to eliminate duplicates Z: 30 28.197 2.066 0.992 0.586 0.862 0.483 CB 1.358 30 residues pruned to eliminate duplicates Z: 94 75.105 2.293 1.056 0.602 0.957 0.634 CB 1.567 94 residues pruned to eliminate duplicates Z: 28 37.477 2.239 1.142 0.648 0.852 0.333 CB 1.537 28 residues pruned to eliminate duplicates Z: 19 25.198 2.184 0.982 0.581 0.833 0.389 CB 1.523 19 residues pruned to eliminate duplicates Z: 18 28.497 2.371 1.322 0.643 0.765 0.529 CB 1.436 18 residues pruned to eliminate duplicates Z: 27 29.275 2.189 0.979 0.638 0.846 0.538 CB 1.376 27 residues pruned to eliminate duplicates Z: 46 39.738 2.166 1.032 0.552 0.889 0.578 CB 1.439 46 residues pruned to eliminate duplicates Z: 32 44.495 2.215 1.295 0.649 0.903 0.677 CB 1.515 32 residues pruned to eliminate duplicates Z: 45 34.576 2.158 0.872 0.500 0.886 0.614 CB 1.456 45 residues pruned to eliminate duplicates Z: 18 32.020 2.346 1.064 0.660 0.824 0.647 CB 1.679 18 residues pruned to eliminate duplicates Z: 18 17.991 2.098 0.524 0.680 0.941 0.471 CB 1.229 18 residues pruned to eliminate duplicates Z: 14 17.336 2.078 0.939 0.618 0.846 0.462 CB 1.262 14 residues pruned to eliminate duplicates Z: 40 38.815 2.209 0.874 0.571 0.897 0.667 CB 1.562 40 residues pruned to eliminate duplicates Z: 32 20.981 2.158 0.874 0.451 0.742 0.323 CB 1.321 32 residues pruned to eliminate duplicates Z: 16 17.336 1.950 1.062 0.494 0.867 0.400 CB 1.293 16 residues pruned to eliminate duplicates Z: 18 18.461 2.124 0.877 0.561 0.824 0.647 CB 1.285 18 residues pruned to eliminate duplicates Z: 13 24.937 2.215 1.236 0.635 0.917 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 43 32.110 2.113 0.737 0.505 0.857 0.571 CB 1.566 43 residues pruned to eliminate duplicates Z: 14 13.328 1.997 0.947 0.502 0.692 0.385 CB 1.370 14 residues pruned to eliminate duplicates Z: 11 17.323 2.056 1.085 0.753 0.800 0.500 CB 1.275 11 residues pruned to eliminate duplicates Z: 35 48.339 2.188 1.102 0.711 0.912 0.588 CB 1.633 35 residues pruned to eliminate duplicates Z: 34 36.604 2.061 0.935 0.674 0.909 0.636 CB 1.497 34 residues pruned to eliminate duplicates Z: 28 32.567 2.106 1.100 0.666 0.852 0.667 CB 1.426 28 residues pruned to eliminate duplicates Z: 36 43.217 2.085 1.163 0.705 0.914 0.686 CB 1.470 36 residues pruned to eliminate duplicates Z: 25 27.792 2.005 0.845 0.696 0.875 0.750 CB 1.466 25 residues pruned to eliminate duplicates Z: 26 42.086 2.112 1.277 0.694 0.920 0.640 CA 1.593 26 residues pruned to eliminate duplicates Z: 34 28.325 2.028 0.830 0.580 0.848 0.576 CB 1.450 34 residues pruned to eliminate duplicates Z: 23 43.917 2.247 1.265 0.722 0.909 0.727 CB 1.656 23 residues pruned to eliminate duplicates Z: 40 42.150 2.026 1.202 0.661 0.872 0.513 CB 1.495 40 residues pruned to eliminate duplicates Z: 37 46.224 2.083 1.233 0.702 0.917 0.500 CB 1.504 35 residues pruned to eliminate duplicates Z: 23 31.654 1.998 0.785 0.865 0.955 0.364 CB 1.453 23 residues pruned to eliminate duplicates Z: 28 31.195 2.036 0.801 0.739 0.852 0.630 CB 1.551 28 residues pruned to eliminate duplicates Z: 11 15.330 1.922 0.506 0.798 1.000 0.800 CB 1.290 11 residues pruned to eliminate duplicates Z: 48 26.512 1.909 0.774 0.494 0.915 0.574 CB 1.256 41 residues pruned to eliminate duplicates Z: 6 2.630 1.448 0.296 0.451 0.600 0.400 CA 1.099 6 residues pruned to eliminate duplicates Z: 13 10.525 1.730 0.743 0.414 0.917 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 11 8.298 2.007 0.460 0.315 0.800 0.400 CB 1.373 11 residues pruned to eliminate duplicates Z: 6 3.658 1.541 0.265 0.432 1.000 0.800 CA 0.900 6 residues pruned to eliminate duplicates Z: 70 53.980 2.226 0.798 0.582 0.928 0.725 CB 1.618 70 residues pruned to eliminate duplicates Z: 70 52.884 2.209 0.826 0.567 0.942 0.768 CB 1.570 70 residues pruned to eliminate duplicates Z: 70 59.834 2.235 0.894 0.599 0.971 0.754 CB 1.594 70 residues pruned to eliminate duplicates Z: 65 58.099 2.242 0.830 0.616 0.969 0.766 CB 1.637 65 residues pruned to eliminate duplicates Z: 63 56.231 2.256 0.819 0.608 0.968 0.806 CB 1.623 63 residues pruned to eliminate duplicates Z: 64 57.079 2.245 0.833 0.609 0.968 0.794 CB 1.627 64 residues pruned to eliminate duplicates Z: 25 29.699 2.129 1.037 0.510 0.875 0.667 CB 1.581 25 residues pruned to eliminate duplicates Z: 13 27.009 2.125 1.250 0.679 0.833 0.750 C 1.661 Z: 6 5.093 1.629 1.169 0.289 0.800 0.400 C 1.022 6 residues pruned to eliminate duplicates Z: 25 54.045 2.261 1.400 0.773 0.958 0.625 CB 1.666 38 residues pruned to eliminate duplicates Z: 38 29.575 1.969 0.978 0.516 0.811 0.568 CA 1.516 38 residues pruned to eliminate duplicates Z: 27 32.583 2.146 1.025 0.671 0.808 0.577 CB 1.555 27 residues pruned to eliminate duplicates Z: 42 37.972 2.048 0.947 0.604 0.878 0.512 CB 1.535 42 residues pruned to eliminate duplicates Z: 84 58.770 2.175 0.943 0.572 0.916 0.699 CB 1.555 84 residues pruned to eliminate duplicates Z: 12 28.656 1.985 1.502 0.671 1.000 0.727 C 1.486 Z: 6 7.395 1.732 0.953 0.389 1.000 0.600 CA 1.100 6 residues pruned to eliminate duplicates Z: 64 52.310 2.190 0.804 0.588 0.952 0.778 CB 1.609 64 residues pruned to eliminate duplicates Z: 70 55.237 2.228 0.864 0.567 0.957 0.652 CB 1.570 70 residues pruned to eliminate duplicates Z: 57 55.163 2.247 0.830 0.628 0.982 0.732 CB 1.619 57 residues pruned to eliminate duplicates Z: 66 61.071 2.251 0.923 0.629 0.954 0.769 CB 1.625 66 residues pruned to eliminate duplicates Z: 61 58.522 2.252 0.870 0.626 0.950 0.783 CB 1.676 61 residues pruned to eliminate duplicates Z: 60 57.890 2.262 0.869 0.632 0.949 0.780 CB 1.660 60 residues pruned to eliminate duplicates Z: 59 61.712 2.254 0.970 0.627 0.983 0.690 CB 1.648 59 residues pruned to eliminate duplicates Z: 63 61.698 2.265 0.900 0.626 0.984 0.758 CB 1.644 63 residues pruned to eliminate duplicates Z: 78 52.095 2.132 0.852 0.584 0.935 0.675 CB 1.484 78 residues pruned to eliminate duplicates Z: 61 58.359 2.269 0.908 0.612 0.967 0.783 CB 1.619 61 residues pruned to eliminate duplicates Z: 56 57.152 2.266 0.867 0.661 0.982 0.727 CB 1.598 56 residues pruned to eliminate duplicates Z: 59 59.214 2.274 0.839 0.644 0.983 0.793 CB 1.654 59 residues pruned to eliminate duplicates Z: 70 58.405 2.261 0.933 0.585 0.942 0.739 CB 1.574 70 residues pruned to eliminate duplicates Z: 41 38.322 2.106 0.906 0.679 0.925 0.700 CB 1.384 41 residues pruned to eliminate duplicates Z: 63 65.934 2.263 1.059 0.609 0.984 0.758 CB 1.647 63 residues pruned to eliminate duplicates Z: 41 53.103 2.244 1.083 0.647 0.975 0.850 CB 1.606 41 residues pruned to eliminate duplicates Z: 87 58.196 2.200 0.928 0.559 0.895 0.686 CB 1.561 87 residues pruned to eliminate duplicates Z: 60 61.246 2.270 0.959 0.625 0.966 0.746 CB 1.649 60 residues pruned to eliminate duplicates Z: 62 58.384 2.205 0.918 0.611 0.967 0.656 CB 1.645 62 residues pruned to eliminate duplicates Z: 56 59.392 2.273 0.941 0.654 0.982 0.764 CB 1.602 56 residues pruned to eliminate duplicates Z: 79 53.601 2.135 0.880 0.560 0.923 0.615 CB 1.545 79 residues pruned to eliminate duplicates Z: 60 59.439 2.273 0.966 0.616 0.949 0.712 CB 1.635 60 residues pruned to eliminate duplicates Z: 43 45.054 2.146 1.075 0.643 0.905 0.738 CB 1.510 43 residues pruned to eliminate duplicates Z: 64 59.187 2.258 0.906 0.600 0.968 0.714 CB 1.627 64 residues pruned to eliminate duplicates Z: 58 60.424 2.257 0.860 0.667 0.982 0.825 CB 1.664 58 residues pruned to eliminate duplicates Z: 59 58.051 2.253 0.918 0.623 0.966 0.741 CB 1.627 59 residues pruned to eliminate duplicates Z: 66 63.223 2.233 0.987 0.606 0.954 0.738 CB 1.675 66 residues pruned to eliminate duplicates Z: 59 62.233 2.244 1.056 0.629 0.966 0.776 CB 1.625 59 residues pruned to eliminate duplicates Z: 64 62.521 2.261 0.993 0.608 0.968 0.746 CB 1.630 64 residues pruned to eliminate duplicates Z: 56 58.470 2.264 0.924 0.647 0.964 0.800 CB 1.637 56 residues pruned to eliminate duplicates Z: 66 55.260 2.237 0.870 0.584 0.938 0.708 CB 1.611 66 residues pruned to eliminate duplicates Z: 61 59.119 2.246 0.960 0.614 0.950 0.750 CB 1.639 61 residues pruned to eliminate duplicates Z: 104 69.513 2.183 0.909 0.609 0.942 0.709 CB 1.574 116 residues pruned to eliminate duplicates Z: 66 58.433 2.240 0.940 0.587 0.938 0.692 CB 1.635 66 residues pruned to eliminate duplicates Z: 55 64.252 2.292 0.980 0.683 1.000 0.815 CB 1.628 55 residues pruned to eliminate duplicates Z: 57 57.015 2.256 0.913 0.628 0.982 0.679 CB 1.593 57 residues pruned to eliminate duplicates Z: 55 62.007 2.293 0.952 0.671 0.981 0.796 CB 1.640 55 residues pruned to eliminate duplicates Z: 62 60.600 2.241 0.996 0.616 0.951 0.754 CB 1.635 62 residues pruned to eliminate duplicates Z: 67 58.817 2.216 1.009 0.596 0.939 0.697 CB 1.579 67 residues pruned to eliminate duplicates Z: 56 61.273 2.260 1.005 0.656 0.982 0.818 CB 1.606 56 residues pruned to eliminate duplicates Z: 69 66.355 2.267 1.022 0.598 0.971 0.809 CB 1.647 69 residues pruned to eliminate duplicates Z: 76 55.615 2.197 0.882 0.560 0.947 0.720 CB 1.549 76 residues pruned to eliminate duplicates Z: 25 33.086 2.301 0.836 0.547 0.958 0.708 CB 1.594 25 residues pruned to eliminate duplicates Z: 56 61.657 2.283 1.005 0.657 0.982 0.764 CB 1.599 56 residues pruned to eliminate duplicates Z: 59 59.985 2.274 1.006 0.619 0.948 0.776 CB 1.627 59 residues pruned to eliminate duplicates Z: 61 58.329 2.235 0.944 0.626 0.950 0.833 CB 1.620 61 residues pruned to eliminate duplicates Z: 57 58.910 2.237 0.941 0.644 1.000 0.732 CB 1.585 57 residues pruned to eliminate duplicates Z: 57 57.847 2.255 0.903 0.654 0.982 0.750 CB 1.590 57 residues pruned to eliminate duplicates Z: 66 57.238 2.178 0.945 0.597 0.969 0.738 CB 1.576 66 residues pruned to eliminate duplicates Z: 60 62.869 2.251 0.996 0.646 0.966 0.729 CB 1.645 60 residues pruned to eliminate duplicates Z: 11 16.958 1.960 0.747 0.699 1.000 0.700 CA 1.306 Z: 23 20.728 1.903 0.502 0.803 0.955 0.455 CB 1.243 24 residues pruned to eliminate duplicates Z: 11 14.453 1.949 0.428 0.848 1.000 0.800 CB 1.219 11 residues pruned to eliminate duplicates Z: 47 45.797 2.106 0.900 0.638 0.957 0.739 CB 1.551 70 residues pruned to eliminate duplicates Z: 20 16.472 1.873 0.925 0.387 0.842 0.526 CB 1.403 Z: 22 28.987 1.994 0.890 0.849 0.905 0.619 CB 1.374 12 residues pruned to eliminate duplicates Z: 12 17.518 1.889 0.731 0.836 0.909 0.364 CB 1.330 12 residues pruned to eliminate duplicates Z: 12 33.090 2.039 1.581 0.806 1.000 0.909 CA 1.451 Z: 6 5.385 1.496 1.234 0.489 0.800 0.600 CA 0.911 6 residues pruned to eliminate duplicates Z: 45 38.858 2.059 1.156 0.588 0.841 0.568 CB 1.443 43 residues pruned to eliminate duplicates Z: 6 4.669 1.556 1.316 0.291 0.800 0.800 CB 0.917 6 residues pruned to eliminate duplicates Z: 13 35.050 2.256 1.387 0.655 0.917 0.583 C 1.775 13 residues pruned to eliminate duplicates Z: 66 59.345 2.221 0.854 0.606 0.969 0.708 CB 1.667 110 residues pruned to eliminate duplicates Z: 43 54.386 2.209 1.087 0.709 0.929 0.810 CB 1.622 43 residues pruned to eliminate duplicates Z: 66 62.519 2.245 0.905 0.625 0.969 0.738 CB 1.662 67 residues pruned to eliminate duplicates Z: 6 3.936 1.610 0.757 0.283 0.800 0.400 CA 0.994 6 residues pruned to eliminate duplicates Z: 64 55.801 2.236 0.833 0.594 0.968 0.714 CB 1.619 64 residues pruned to eliminate duplicates Z: 66 59.847 2.230 0.907 0.609 0.954 0.754 CB 1.650 66 residues pruned to eliminate duplicates Z: 67 57.327 2.235 0.878 0.596 0.955 0.742 CB 1.607 67 residues pruned to eliminate duplicates Z: 65 62.395 2.262 0.886 0.643 0.953 0.781 CB 1.678 65 residues pruned to eliminate duplicates Z: 64 49.719 2.158 0.846 0.605 0.921 0.651 CB 1.546 75 residues pruned to eliminate duplicates Z: 65 59.755 2.245 0.898 0.596 0.969 0.719 CB 1.651 65 residues pruned to eliminate duplicates Z: 55 40.836 2.138 0.736 0.597 0.889 0.630 CB 1.536 51 residues pruned to eliminate duplicates Z: 14 22.451 2.022 0.645 0.942 1.000 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 63 56.053 2.193 0.927 0.587 0.952 0.645 CB 1.629 63 residues pruned to eliminate duplicates Z: 66 51.553 2.198 0.792 0.576 0.938 0.585 CB 1.607 66 residues pruned to eliminate duplicates Z: 66 56.917 2.239 0.879 0.586 0.938 0.708 CB 1.646 66 residues pruned to eliminate duplicates Z: 59 56.519 2.258 0.879 0.597 0.966 0.638 CB 1.651 59 residues pruned to eliminate duplicates Z: 65 68.089 2.261 1.026 0.634 0.969 0.719 CB 1.691 65 residues pruned to eliminate duplicates Z: 61 57.710 2.224 0.895 0.616 0.967 0.733 CB 1.638 61 residues pruned to eliminate duplicates Z: 61 56.878 2.247 0.942 0.610 0.950 0.683 CB 1.595 61 residues pruned to eliminate duplicates Z: 57 57.221 2.246 0.892 0.652 0.982 0.804 CB 1.590 57 residues pruned to eliminate duplicates Z: 65 64.514 2.256 0.959 0.636 0.984 0.703 CB 1.632 65 residues pruned to eliminate duplicates Z: 65 67.885 2.262 1.007 0.639 0.984 0.719 CB 1.668 65 residues pruned to eliminate duplicates Z: 65 69.678 2.267 1.041 0.652 0.984 0.734 CB 1.660 65 residues pruned to eliminate duplicates Z: 64 55.002 2.228 0.954 0.576 0.937 0.619 CB 1.579 64 residues pruned to eliminate duplicates Z: 66 67.923 2.243 0.998 0.633 0.985 0.677 CB 1.685 66 residues pruned to eliminate duplicates Z: 59 58.683 2.246 0.830 0.638 1.000 0.707 CB 1.647 59 residues pruned to eliminate duplicates Z: 65 66.935 2.264 0.967 0.648 0.969 0.766 CB 1.689 65 residues pruned to eliminate duplicates Z: 66 60.821 2.262 0.957 0.599 0.954 0.662 CB 1.625 66 residues pruned to eliminate duplicates Z: 64 56.696 2.216 0.934 0.591 0.952 0.619 CB 1.604 64 residues pruned to eliminate duplicates Z: 104 76.234 2.184 1.063 0.636 0.961 0.689 CB 1.527 84 residues pruned to eliminate duplicates Z: 11 22.099 2.153 0.502 0.855 1.000 0.800 CA 1.595 11 residues pruned to eliminate duplicates Z: 58 38.819 2.093 0.639 0.552 0.947 0.614 CB 1.503 58 residues pruned to eliminate duplicates Z: 56 57.618 2.241 0.906 0.643 0.964 0.764 CB 1.652 56 residues pruned to eliminate duplicates Z: 70 57.382 2.188 0.923 0.580 0.957 0.623 CB 1.590 70 residues pruned to eliminate duplicates Z: 66 61.890 2.225 0.927 0.625 0.985 0.646 CB 1.617 66 residues pruned to eliminate duplicates Z: 62 59.901 2.255 0.937 0.604 0.967 0.672 CB 1.645 62 residues pruned to eliminate duplicates Z: 64 57.278 2.236 0.917 0.593 0.937 0.762 CB 1.645 64 residues pruned to eliminate duplicates Z: 65 59.431 2.242 0.959 0.610 0.938 0.750 CB 1.625 65 residues pruned to eliminate duplicates Z: 66 60.480 2.250 0.923 0.602 0.954 0.723 CB 1.649 66 residues pruned to eliminate duplicates Z: 67 62.288 2.228 0.938 0.640 0.970 0.742 CB 1.607 67 residues pruned to eliminate duplicates Z: 66 63.716 2.243 0.910 0.655 0.969 0.815 CB 1.647 66 residues pruned to eliminate duplicates Z: 62 56.192 2.223 0.853 0.622 0.967 0.754 CB 1.610 62 residues pruned to eliminate duplicates Z: 60 49.472 2.212 0.826 0.591 0.915 0.695 CB 1.597 60 residues pruned to eliminate duplicates Z: 61 58.058 2.275 0.930 0.604 0.950 0.733 CB 1.628 61 residues pruned to eliminate duplicates Z: 55 57.228 2.270 0.840 0.653 0.981 0.796 CB 1.647 55 residues pruned to eliminate duplicates Z: 61 60.542 2.242 0.957 0.614 0.983 0.733 CB 1.626 61 residues pruned to eliminate duplicates Z: 66 63.160 2.245 0.976 0.622 0.954 0.677 CB 1.650 66 residues pruned to eliminate duplicates Z: 66 58.824 2.227 0.847 0.614 0.985 0.692 CB 1.617 66 residues pruned to eliminate duplicates Z: 61 55.372 2.229 0.889 0.615 0.950 0.733 CB 1.602 61 residues pruned to eliminate duplicates Z: 65 64.576 2.230 0.975 0.656 0.969 0.750 CB 1.636 65 residues pruned to eliminate duplicates Z: 71 62.150 2.226 0.906 0.607 0.957 0.686 CB 1.652 71 residues pruned to eliminate duplicates Z: 62 53.348 2.236 0.845 0.622 0.934 0.672 CB 1.580 62 residues pruned to eliminate duplicates Z: 70 61.055 2.217 0.928 0.636 0.942 0.710 CB 1.607 70 residues pruned to eliminate duplicates Z: 67 51.732 2.213 0.832 0.589 0.909 0.697 CB 1.587 67 residues pruned to eliminate duplicates Z: 121 84.250 2.257 0.916 0.608 0.958 0.725 CB 1.676 71 residues pruned to eliminate duplicates Z: 6 2.849 1.479 0.421 0.223 0.800 0.400 CB 1.049 6 residues pruned to eliminate duplicates Z: 78 65.456 2.316 0.853 0.576 0.935 0.701 CB 1.727 91 residues pruned to eliminate duplicates Z: 63 67.437 2.388 0.886 0.616 0.952 0.790 CB 1.789 63 residues pruned to eliminate duplicates Z: 69 65.131 2.311 0.924 0.556 0.956 0.750 CB 1.760 69 residues pruned to eliminate duplicates Z: 128 89.943 2.297 0.917 0.621 0.961 0.764 CB 1.683 128 residues pruned to eliminate duplicates Z: 60 66.228 2.336 0.901 0.621 0.983 0.797 CB 1.762 60 residues pruned to eliminate duplicates Z: 123 89.400 2.315 0.960 0.606 0.951 0.730 CB 1.697 123 residues pruned to eliminate duplicates Z: 133 85.971 2.265 0.949 0.583 0.939 0.674 CB 1.667 133 residues pruned to eliminate duplicates Z: 103 79.195 2.272 1.019 0.605 0.931 0.667 CB 1.662 103 residues pruned to eliminate duplicates Z: 120 95.124 2.338 0.970 0.621 0.958 0.765 CB 1.764 120 residues pruned to eliminate duplicates Z: 67 64.984 2.312 0.908 0.592 0.970 0.712 CB 1.713 67 residues pruned to eliminate duplicates Z: 65 70.627 2.360 0.965 0.594 0.969 0.766 CB 1.796 65 residues pruned to eliminate duplicates Z: 129 91.439 2.282 0.929 0.632 0.969 0.742 CB 1.674 128 residues pruned to eliminate duplicates Z: 6 11.763 1.828 1.264 0.400 1.000 0.800 C 1.413 Z: 121 93.407 2.318 0.982 0.629 0.967 0.733 CB 1.701 128 residues pruned to eliminate duplicates Z: 17 28.702 2.140 0.649 0.791 1.000 0.812 CB 1.575 17 residues pruned to eliminate duplicates Z: 60 68.378 2.327 0.998 0.606 0.983 0.729 CB 1.761 60 residues pruned to eliminate duplicates Z: 126 87.547 2.286 0.929 0.602 0.960 0.720 CB 1.678 126 residues pruned to eliminate duplicates Z: 62 59.644 2.316 0.910 0.582 0.918 0.623 CB 1.739 62 residues pruned to eliminate duplicates Z: 64 73.316 2.371 1.053 0.592 0.968 0.698 CB 1.795 64 residues pruned to eliminate duplicates Z: 121 93.512 2.318 0.995 0.621 0.958 0.717 CB 1.718 121 residues pruned to eliminate duplicates Z: 16 32.839 2.114 0.900 0.924 1.000 0.867 CB 1.483 16 residues pruned to eliminate duplicates Z: 68 63.624 2.275 1.006 0.586 0.925 0.701 CB 1.694 68 residues pruned to eliminate duplicates Z: 64 69.953 2.365 1.014 0.599 0.952 0.698 CB 1.768 64 residues pruned to eliminate duplicates Z: 162 95.593 2.274 0.966 0.600 0.925 0.646 CB 1.655 127 residues pruned to eliminate duplicates Z: 15 34.517 2.166 1.037 0.921 0.929 0.786 CA 1.584 15 residues pruned to eliminate duplicates Z: 69 73.216 2.331 1.059 0.579 0.985 0.691 CB 1.740 69 residues pruned to eliminate duplicates Z: 121 88.386 2.295 1.011 0.622 0.942 0.725 CB 1.654 121 residues pruned to eliminate duplicates Z: 58 68.225 2.334 1.060 0.596 0.982 0.684 CB 1.745 58 residues pruned to eliminate duplicates Z: 64 73.536 2.374 1.115 0.576 0.968 0.730 CB 1.770 64 residues pruned to eliminate duplicates Z: 70 66.850 2.296 1.054 0.552 0.971 0.696 CB 1.670 70 residues pruned to eliminate duplicates Z: 66 65.935 2.294 1.050 0.572 0.954 0.708 CB 1.700 66 residues pruned to eliminate duplicates Z: 65 71.493 2.363 1.014 0.599 0.969 0.750 CB 1.764 65 residues pruned to eliminate duplicates Z: 64 72.951 2.383 1.066 0.584 0.968 0.746 CB 1.778 64 residues pruned to eliminate duplicates Z: 127 91.241 2.318 1.016 0.603 0.937 0.659 CB 1.685 127 residues pruned to eliminate duplicates Z: 122 88.420 2.302 0.948 0.614 0.950 0.719 CB 1.693 122 residues pruned to eliminate duplicates Z: 64 70.535 2.357 1.089 0.581 0.952 0.683 CB 1.754 64 residues pruned to eliminate duplicates Z: 60 71.350 2.320 1.048 0.622 0.983 0.644 CB 1.773 60 residues pruned to eliminate duplicates Z: 71 62.584 2.292 0.973 0.520 0.943 0.557 CB 1.719 71 residues pruned to eliminate duplicates Z: 64 75.433 2.368 1.091 0.600 0.984 0.683 CB 1.773 64 residues pruned to eliminate duplicates Z: 61 68.232 2.331 1.069 0.587 0.967 0.700 CB 1.738 61 residues pruned to eliminate duplicates Z: 71 62.541 2.292 1.036 0.534 0.929 0.629 CB 1.668 71 residues pruned to eliminate duplicates Z: 55 70.616 2.353 1.060 0.643 0.981 0.759 CB 1.766 55 residues pruned to eliminate duplicates Z: 67 65.060 2.318 1.038 0.559 0.924 0.652 CB 1.733 67 residues pruned to eliminate duplicates Z: 58 72.796 2.360 1.060 0.614 0.982 0.684 CB 1.813 58 residues pruned to eliminate duplicates Z: 77 60.274 2.248 0.940 0.506 0.921 0.632 CB 1.710 77 residues pruned to eliminate duplicates Z: 67 68.621 2.306 1.059 0.583 0.955 0.712 CB 1.721 67 residues pruned to eliminate duplicates Z: 65 67.967 2.349 1.046 0.588 0.938 0.688 CB 1.733 65 residues pruned to eliminate duplicates Z: 63 68.669 2.319 1.073 0.591 0.952 0.710 CB 1.748 63 residues pruned to eliminate duplicates Z: 63 66.418 2.291 1.058 0.567 0.968 0.661 CB 1.732 63 residues pruned to eliminate duplicates Z: 65 67.953 2.361 1.057 0.571 0.922 0.703 CB 1.771 65 residues pruned to eliminate duplicates Z: 89 75.524 2.328 1.044 0.590 0.909 0.670 CB 1.708 89 residues pruned to eliminate duplicates Z: 61 73.510 2.351 1.090 0.601 0.983 0.700 CB 1.783 61 residues pruned to eliminate duplicates Z: 65 67.921 2.311 1.055 0.578 0.953 0.703 CB 1.741 65 residues pruned to eliminate duplicates Z: 66 69.121 2.340 1.062 0.588 0.969 0.677 CB 1.686 66 residues pruned to eliminate duplicates Z: 59 68.676 2.376 1.001 0.606 0.966 0.690 CB 1.777 59 residues pruned to eliminate duplicates Z: 127 92.178 2.306 0.951 0.627 0.952 0.698 CB 1.700 127 residues pruned to eliminate duplicates Z: 128 93.328 2.289 0.971 0.629 0.969 0.803 CB 1.678 128 residues pruned to eliminate duplicates 485 residues left after pruning, divided into chains as follows: A: 206 B: 81 C: 42 D: 113 E: 43 CC for partial structure against native data = 39.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.438, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.510, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.606, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.614, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.625, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.628, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.632, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.633, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.635, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.634, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4264 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 869 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 61 56.665 2.256 0.813 0.628 0.967 0.750 CB 1.640 B: 17 24.810 2.173 0.554 0.780 0.875 0.562 CA 1.640 C: 75 71.796 2.327 0.957 0.598 0.959 0.770 CA 1.739 17 residues pruned to eliminate duplicates D: 67 62.119 2.256 0.918 0.566 0.970 0.682 CB 1.709 E: 65 67.508 2.345 0.983 0.592 0.969 0.750 CB 1.715 F: 15 31.987 2.391 0.636 0.771 1.000 0.571 CA 1.718 15 residues pruned to eliminate duplicates G: 15 21.210 2.320 0.523 0.682 0.786 0.500 CA 1.728 15 residues pruned to eliminate duplicates H: 129 85.227 2.299 0.900 0.571 0.922 0.688 CB 1.746 143 residues pruned to eliminate duplicates I: 64 67.886 2.359 0.986 0.592 0.952 0.635 CA 1.755 64 residues pruned to eliminate duplicates J: 61 56.720 2.284 0.797 0.611 0.967 0.717 CB 1.661 61 residues pruned to eliminate duplicates K: 67 56.744 2.250 0.871 0.587 0.939 0.667 CB 1.625 61 residues pruned to eliminate duplicates L: 61 63.825 2.328 0.988 0.594 0.967 0.750 CB 1.684 61 residues pruned to eliminate duplicates M: 65 52.473 2.254 0.729 0.559 0.938 0.688 CB 1.696 65 residues pruned to eliminate duplicates N: 16 33.532 2.315 0.740 0.741 1.000 0.467 CA 1.731 16 residues pruned to eliminate duplicates O: 58 71.385 2.370 0.989 0.629 1.000 0.719 CB 1.777 66 residues pruned to eliminate duplicates P: 48 47.409 2.195 1.082 0.594 0.851 0.574 CB 1.625 48 residues pruned to eliminate duplicates Q: 62 57.733 2.245 0.794 0.610 0.984 0.689 CB 1.680 61 residues pruned to eliminate duplicates R: 79 68.829 2.315 1.025 0.566 0.910 0.679 CA 1.713 79 residues pruned to eliminate duplicates S: 60 57.090 2.259 0.821 0.604 0.966 0.678 CB 1.694 60 residues pruned to eliminate duplicates T: 62 64.514 2.254 0.945 0.611 0.967 0.656 CA 1.753 62 residues pruned to eliminate duplicates U: 66 59.558 2.288 0.816 0.589 0.938 0.646 CB 1.739 66 residues pruned to eliminate duplicates V: 64 68.705 2.346 1.041 0.606 0.937 0.746 CB 1.745 64 residues pruned to eliminate duplicates W: 50 45.373 2.184 0.679 0.634 0.980 0.714 CB 1.591 50 residues pruned to eliminate duplicates X: 56 66.688 2.338 0.903 0.658 1.000 0.727 CB 1.746 56 residues pruned to eliminate duplicates Y: 15 24.335 2.106 0.422 0.896 1.000 0.857 CA 1.556 15 residues pruned to eliminate duplicates Z: 64 56.129 2.218 0.883 0.605 0.952 0.651 CB 1.609 64 residues pruned to eliminate duplicates Z: 67 65.968 2.306 0.937 0.588 0.985 0.682 CB 1.698 59 residues pruned to eliminate duplicates Z: 16 25.689 2.071 0.629 0.916 1.000 0.667 CA 1.389 16 residues pruned to eliminate duplicates Z: 16 34.196 2.335 0.869 0.595 1.000 0.867 CA 1.847 16 residues pruned to eliminate duplicates Z: 55 67.962 2.364 0.903 0.662 0.981 0.741 CA 1.803 55 residues pruned to eliminate duplicates Z: 71 60.007 2.248 0.943 0.562 0.929 0.643 CB 1.665 71 residues pruned to eliminate duplicates Z: 67 60.035 2.301 0.858 0.559 0.955 0.682 CA 1.710 67 residues pruned to eliminate duplicates Z: 19 35.097 2.211 1.237 0.604 0.889 0.722 CB 1.704 Z: 14 29.292 2.083 1.061 0.838 0.923 0.846 CB 1.532 Z: 20 31.341 2.222 1.030 0.589 0.842 0.632 CB 1.738 20 residues pruned to eliminate duplicates Z: 64 56.930 2.219 0.891 0.612 0.968 0.746 CB 1.588 Z: 60 59.791 2.270 0.842 0.621 0.983 0.763 CB 1.689 61 residues pruned to eliminate duplicates Z: 58 54.803 2.203 0.851 0.652 0.982 0.842 CB 1.573 58 residues pruned to eliminate duplicates Z: 34 36.812 2.193 1.007 0.636 0.818 0.515 CB 1.567 Z: 53 41.150 2.075 0.802 0.557 0.904 0.596 CA 1.597 53 residues pruned to eliminate duplicates Z: 17 19.858 2.021 0.158 0.919 1.000 0.875 CB 1.495 17 residues pruned to eliminate duplicates Z: 15 23.351 2.103 0.457 0.926 0.929 0.929 CA 1.537 15 residues pruned to eliminate duplicates Z: 13 25.230 2.114 0.707 0.894 1.000 0.833 CA 1.448 Z: 63 68.442 2.350 0.993 0.618 0.952 0.710 CA 1.745 63 residues pruned to eliminate duplicates Z: 65 60.095 2.318 0.928 0.569 0.938 0.656 CB 1.677 65 residues pruned to eliminate duplicates Z: 16 31.361 2.282 0.876 0.722 0.933 0.533 CA 1.659 16 residues pruned to eliminate duplicates Z: 14 25.572 2.064 0.931 0.881 0.923 0.769 CA 1.396 14 residues pruned to eliminate duplicates Z: 58 61.982 2.291 0.939 0.620 0.965 0.702 CB 1.710 58 residues pruned to eliminate duplicates Z: 14 27.616 2.106 0.757 0.905 1.000 0.846 CB 1.473 Z: 66 61.366 2.255 0.836 0.606 0.985 0.738 CB 1.688 67 residues pruned to eliminate duplicates Z: 14 31.408 2.266 1.348 0.698 0.846 0.769 CB 1.615 14 residues pruned to eliminate duplicates Z: 15 31.060 2.000 0.996 0.865 1.000 0.786 CB 1.524 14 residues pruned to eliminate duplicates Z: 64 59.758 2.310 0.877 0.587 0.905 0.651 CB 1.764 64 residues pruned to eliminate duplicates Z: 15 25.591 2.372 0.594 0.763 0.857 0.571 CA 1.671 15 residues pruned to eliminate duplicates Z: 41 38.936 2.117 1.012 0.632 0.925 0.575 CB 1.380 39 residues pruned to eliminate duplicates Z: 20 30.582 2.124 0.709 0.802 0.947 0.684 CB 1.568 Z: 95 65.913 2.271 0.900 0.597 0.883 0.574 CB 1.627 35 residues pruned to eliminate duplicates Z: 16 22.351 2.082 0.349 0.918 1.000 0.867 CA 1.449 16 residues pruned to eliminate duplicates Z: 39 39.449 2.090 0.987 0.676 0.921 0.474 CB 1.423 15 residues pruned to eliminate duplicates Z: 17 26.710 2.237 0.435 0.786 0.938 0.562 CB 1.725 17 residues pruned to eliminate duplicates Z: 17 26.231 2.036 0.910 0.854 0.938 0.562 CB 1.328 14 residues pruned to eliminate duplicates Z: 22 26.092 1.976 0.657 0.813 0.952 0.476 CB 1.391 13 residues pruned to eliminate duplicates Z: 24 35.034 2.235 1.036 0.486 0.957 0.652 CB 1.703 24 residues pruned to eliminate duplicates Z: 63 57.079 2.229 0.837 0.610 0.952 0.710 CB 1.676 62 residues pruned to eliminate duplicates Z: 55 68.160 2.365 0.934 0.667 1.000 0.759 CA 1.739 55 residues pruned to eliminate duplicates Z: 66 57.688 2.235 0.884 0.603 0.954 0.677 CB 1.616 66 residues pruned to eliminate duplicates Z: 13 28.382 2.252 0.797 0.882 0.917 0.667 CB 1.599 13 residues pruned to eliminate duplicates Z: 65 62.516 2.226 0.954 0.617 0.984 0.750 CB 1.633 64 residues pruned to eliminate duplicates Z: 61 64.668 2.304 1.022 0.615 0.967 0.667 CB 1.662 61 residues pruned to eliminate duplicates Z: 67 69.755 2.323 0.952 0.630 0.970 0.697 CA 1.728 67 residues pruned to eliminate duplicates Z: 13 29.576 2.173 0.881 0.891 1.000 0.917 CB 1.501 13 residues pruned to eliminate duplicates Z: 14 26.215 2.079 0.930 0.864 1.000 0.923 CB 1.329 14 residues pruned to eliminate duplicates Z: 12 19.558 1.982 0.590 0.818 0.909 0.818 CA 1.562 12 residues pruned to eliminate duplicates Z: 67 64.466 2.321 0.960 0.595 0.939 0.652 CB 1.695 67 residues pruned to eliminate duplicates Z: 36 39.540 2.216 1.072 0.688 0.800 0.543 CB 1.531 36 residues pruned to eliminate duplicates Z: 15 27.277 1.929 0.883 0.921 1.000 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 23 29.791 1.984 0.925 0.757 0.909 0.682 CA 1.455 14 residues pruned to eliminate duplicates Z: 67 66.661 2.308 1.049 0.592 0.955 0.727 CB 1.664 67 residues pruned to eliminate duplicates Z: 74 61.549 2.258 0.977 0.552 0.918 0.575 CA 1.672 74 residues pruned to eliminate duplicates Z: 14 32.204 2.161 0.843 0.900 1.000 0.846 CB 1.603 14 residues pruned to eliminate duplicates Z: 15 33.211 2.376 0.749 0.780 0.929 0.500 CA 1.796 15 residues pruned to eliminate duplicates Z: 15 29.751 2.061 0.883 0.881 1.000 0.857 CA 1.484 15 residues pruned to eliminate duplicates Z: 65 70.662 2.358 1.008 0.614 0.969 0.766 CA 1.729 65 residues pruned to eliminate duplicates Z: 15 38.961 2.360 1.579 0.665 0.929 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 61 50.480 2.193 0.817 0.600 0.933 0.733 CB 1.594 61 residues pruned to eliminate duplicates Z: 11 23.249 2.269 0.595 0.826 0.900 0.500 CA 1.702 11 residues pruned to eliminate duplicates Z: 17 26.285 2.165 0.515 0.816 0.938 0.562 CA 1.624 17 residues pruned to eliminate duplicates Z: 67 64.961 2.259 0.999 0.588 0.955 0.742 CB 1.705 66 residues pruned to eliminate duplicates Z: 8 6.056 1.820 0.473 0.756 0.571 0.571 CA 1.189 8 residues pruned to eliminate duplicates Z: 18 30.677 2.258 0.901 0.566 0.941 0.647 CA 1.728 18 residues pruned to eliminate duplicates Z: 15 29.479 2.337 0.737 0.796 0.857 0.714 CA 1.749 15 residues pruned to eliminate duplicates Z: 14 24.967 2.112 1.140 0.672 0.923 0.538 CA 1.416 Z: 89 78.078 2.321 0.996 0.600 0.943 0.670 CB 1.732 108 residues pruned to eliminate duplicates Z: 15 28.026 2.134 0.679 0.929 0.929 0.857 CA 1.575 15 residues pruned to eliminate duplicates Z: 8 7.155 1.875 0.682 0.298 0.714 0.429 CA 1.505 8 residues pruned to eliminate duplicates Z: 67 63.989 2.250 0.961 0.589 0.970 0.712 CB 1.690 67 residues pruned to eliminate duplicates Z: 16 27.244 1.947 0.703 0.874 1.000 0.667 CB 1.544 15 residues pruned to eliminate duplicates Z: 14 28.563 2.119 0.949 0.874 0.923 0.769 CA 1.512 14 residues pruned to eliminate duplicates Z: 16 25.394 2.093 0.425 0.894 1.000 0.800 CA 1.577 16 residues pruned to eliminate duplicates Z: 66 60.775 2.264 0.976 0.610 0.938 0.723 CB 1.618 65 residues pruned to eliminate duplicates Z: 66 63.951 2.280 0.966 0.583 0.938 0.692 CB 1.741 66 residues pruned to eliminate duplicates Z: 13 36.534 2.238 0.995 0.900 1.000 0.833 CA 1.687 14 residues pruned to eliminate duplicates Z: 16 23.084 2.131 0.432 0.802 0.933 0.600 CA 1.608 16 residues pruned to eliminate duplicates Z: 13 38.221 2.228 1.189 0.892 1.000 0.750 CB 1.626 13 residues pruned to eliminate duplicates Z: 14 34.110 2.099 1.103 0.892 1.000 0.769 CA 1.539 14 residues pruned to eliminate duplicates Z: 23 23.764 1.882 0.788 0.822 0.955 0.409 CB 1.193 23 residues pruned to eliminate duplicates Z: 7 7.211 1.922 0.224 0.778 0.833 0.500 CA 1.175 7 residues pruned to eliminate duplicates Z: 54 55.406 2.232 0.879 0.676 0.962 0.755 CB 1.602 54 residues pruned to eliminate duplicates Z: 80 68.941 2.276 1.034 0.569 0.949 0.671 CB 1.651 80 residues pruned to eliminate duplicates Z: 15 27.573 1.999 0.788 0.878 0.929 0.857 CA 1.612 15 residues pruned to eliminate duplicates Z: 15 30.533 2.035 0.926 0.900 1.000 0.786 CA 1.487 15 residues pruned to eliminate duplicates Z: 41 28.342 1.981 0.852 0.610 0.775 0.450 CB 1.420 22 residues pruned to eliminate duplicates Z: 57 67.741 2.346 0.938 0.639 1.000 0.768 CA 1.748 57 residues pruned to eliminate duplicates Z: 16 21.701 2.201 0.702 0.717 0.667 0.600 CB 1.844 16 residues pruned to eliminate duplicates Z: 69 62.640 2.291 0.887 0.580 0.971 0.706 CB 1.677 70 residues pruned to eliminate duplicates Z: 12 15.583 2.260 0.216 0.800 0.818 0.545 CB 1.607 12 residues pruned to eliminate duplicates Z: 65 60.270 2.270 0.909 0.595 0.922 0.656 CA 1.723 65 residues pruned to eliminate duplicates Z: 66 60.954 2.244 0.931 0.620 0.954 0.723 CB 1.633 66 residues pruned to eliminate duplicates Z: 103 73.899 2.305 0.924 0.586 0.912 0.559 CB 1.666 103 residues pruned to eliminate duplicates Z: 11 21.493 1.936 1.440 0.611 0.900 0.800 CB 1.439 11 residues pruned to eliminate duplicates Z: 60 66.023 2.338 0.900 0.619 0.983 0.746 CB 1.759 61 residues pruned to eliminate duplicates Z: 15 27.411 2.104 0.599 0.905 1.000 0.643 CA 1.549 15 residues pruned to eliminate duplicates Z: 61 58.881 2.278 0.843 0.617 0.967 0.767 CB 1.676 62 residues pruned to eliminate duplicates Z: 58 56.299 2.236 0.879 0.653 0.982 0.737 CB 1.566 58 residues pruned to eliminate duplicates Z: 70 57.159 2.292 0.867 0.542 0.913 0.681 CB 1.689 60 residues pruned to eliminate duplicates Z: 116 85.910 2.311 0.863 0.595 0.965 0.722 CB 1.760 116 residues pruned to eliminate duplicates Z: 10 24.270 2.012 1.582 0.729 0.889 0.778 CB 1.425 10 residues pruned to eliminate duplicates Z: 15 33.306 2.166 0.925 0.886 1.000 0.857 CB 1.540 15 residues pruned to eliminate duplicates Z: 67 56.453 2.240 0.886 0.556 0.924 0.667 CB 1.686 67 residues pruned to eliminate duplicates Z: 16 24.530 2.069 0.505 0.915 1.000 0.867 CA 1.438 16 residues pruned to eliminate duplicates Z: 35 49.922 2.214 1.114 0.722 0.941 0.500 CB 1.590 35 residues pruned to eliminate duplicates Z: 16 25.968 2.266 0.812 0.705 0.800 0.533 CA 1.694 16 residues pruned to eliminate duplicates Z: 46 46.452 2.198 1.121 0.568 0.867 0.533 CB 1.605 46 residues pruned to eliminate duplicates Z: 62 60.706 2.279 0.876 0.610 0.951 0.721 CB 1.722 62 residues pruned to eliminate duplicates Z: 12 16.193 1.869 0.555 0.804 1.000 0.364 CB 1.288 12 residues pruned to eliminate duplicates Z: 16 20.227 2.060 0.583 0.762 0.867 0.533 CA 1.465 16 residues pruned to eliminate duplicates Z: 15 29.112 2.039 0.908 0.886 1.000 0.786 CB 1.443 15 residues pruned to eliminate duplicates Z: 14 26.847 2.117 0.588 0.877 1.000 0.769 CA 1.608 14 residues pruned to eliminate duplicates Z: 71 65.333 2.251 0.927 0.574 0.971 0.614 CB 1.725 110 residues pruned to eliminate duplicates Z: 27 41.095 2.203 1.205 0.665 0.885 0.500 CB 1.609 Z: 14 36.006 2.297 1.492 0.779 0.846 0.769 CA 1.613 14 residues pruned to eliminate duplicates Z: 12 26.844 2.186 0.748 0.931 0.909 0.818 CA 1.629 12 residues pruned to eliminate duplicates Z: 17 22.420 2.151 0.525 0.783 0.812 0.500 CA 1.640 17 residues pruned to eliminate duplicates Z: 17 29.074 2.088 0.694 0.810 0.938 0.688 CA 1.673 17 residues pruned to eliminate duplicates Z: 94 70.160 2.277 0.893 0.608 0.914 0.591 CB 1.667 105 residues pruned to eliminate duplicates Z: 15 25.604 2.208 0.581 0.923 1.000 0.929 CA 1.377 15 residues pruned to eliminate duplicates Z: 42 44.843 2.277 0.674 0.625 0.951 0.756 CA 1.717 42 residues pruned to eliminate duplicates Z: 17 21.412 2.091 0.312 0.809 0.938 0.625 CA 1.591 17 residues pruned to eliminate duplicates Z: 14 32.734 2.150 1.107 0.949 1.000 0.923 CB 1.383 14 residues pruned to eliminate duplicates Z: 91 78.502 2.325 1.011 0.608 0.922 0.578 CB 1.731 91 residues pruned to eliminate duplicates Z: 14 28.839 2.157 1.538 0.612 0.846 0.692 CB 1.552 14 residues pruned to eliminate duplicates Z: 28 36.518 2.138 1.045 0.620 0.926 0.741 CB 1.550 28 residues pruned to eliminate duplicates Z: 17 25.399 2.141 0.703 0.797 0.875 0.500 CA 1.535 17 residues pruned to eliminate duplicates Z: 41 37.110 2.141 0.899 0.601 0.850 0.500 CB 1.542 41 residues pruned to eliminate duplicates Z: 14 32.246 2.076 1.047 0.848 1.000 0.692 CA 1.561 14 residues pruned to eliminate duplicates Z: 16 19.639 2.046 0.189 0.924 1.000 1.000 CA 1.464 16 residues pruned to eliminate duplicates Z: 78 67.943 2.304 0.981 0.585 0.935 0.714 CB 1.672 64 residues pruned to eliminate duplicates Z: 68 60.101 2.246 0.890 0.605 0.955 0.761 CB 1.639 66 residues pruned to eliminate duplicates Z: 7 8.657 1.757 0.959 0.461 0.833 0.500 CB 1.281 7 residues pruned to eliminate duplicates Z: 40 31.755 2.074 0.857 0.610 0.821 0.641 CB 1.450 27 residues pruned to eliminate duplicates Z: 16 24.588 1.958 1.072 0.591 1.000 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 63 68.341 2.310 1.081 0.607 0.968 0.726 CB 1.686 63 residues pruned to eliminate duplicates Z: 56 69.841 2.335 0.984 0.663 1.000 0.727 CB 1.748 56 residues pruned to eliminate duplicates Z: 15 23.055 2.128 0.368 0.929 1.000 0.929 CB 1.481 15 residues pruned to eliminate duplicates Z: 13 13.387 2.146 0.345 0.709 0.750 0.500 CB 1.477 13 residues pruned to eliminate duplicates Z: 16 25.276 2.290 0.557 0.793 0.800 0.667 CA 1.770 16 residues pruned to eliminate duplicates Z: 14 21.849 1.974 1.174 0.541 0.923 0.538 CB 1.469 14 residues pruned to eliminate duplicates Z: 15 27.893 1.987 0.855 0.861 1.000 0.714 CB 1.486 15 residues pruned to eliminate duplicates Z: 13 30.106 2.064 1.444 0.762 1.000 0.750 CB 1.365 12 residues pruned to eliminate duplicates Z: 51 59.014 2.308 0.945 0.623 0.960 0.660 CB 1.725 51 residues pruned to eliminate duplicates Z: 11 20.020 2.285 0.517 0.815 0.800 0.500 CA 1.736 11 residues pruned to eliminate duplicates Z: 34 53.017 2.241 1.097 0.751 0.970 0.606 CB 1.619 34 residues pruned to eliminate duplicates Z: 27 43.044 2.184 1.148 0.698 0.885 0.577 CB 1.698 29 residues pruned to eliminate duplicates Z: 15 25.133 1.916 0.741 0.872 1.000 0.857 CB 1.467 15 residues pruned to eliminate duplicates Z: 13 25.243 2.155 0.825 0.895 0.917 0.583 CA 1.449 13 residues pruned to eliminate duplicates Z: 16 22.610 2.093 0.375 0.929 1.000 0.933 CB 1.420 16 residues pruned to eliminate duplicates Z: 17 24.382 2.088 0.494 0.788 1.000 0.688 CA 1.517 17 residues pruned to eliminate duplicates Z: 55 47.727 2.170 0.987 0.586 0.889 0.537 CB 1.559 95 residues pruned to eliminate duplicates Z: 15 28.534 2.128 0.683 0.942 1.000 0.857 CB 1.476 15 residues pruned to eliminate duplicates Z: 64 66.257 2.355 1.008 0.581 0.937 0.683 CB 1.744 59 residues pruned to eliminate duplicates Z: 18 26.126 2.060 0.696 0.771 0.882 0.471 CA 1.618 18 residues pruned to eliminate duplicates Z: 15 27.219 2.061 0.863 0.849 0.929 0.857 CB 1.512 15 residues pruned to eliminate duplicates Z: 14 30.405 2.100 0.955 0.881 1.000 0.846 CB 1.488 14 residues pruned to eliminate duplicates Z: 14 27.450 2.153 0.682 0.864 1.000 0.846 CB 1.541 14 residues pruned to eliminate duplicates Z: 39 50.053 2.235 1.164 0.587 0.974 0.658 CA 1.586 39 residues pruned to eliminate duplicates Z: 17 28.679 2.064 0.804 0.926 1.000 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 55 65.460 2.376 0.841 0.669 0.981 0.759 CA 1.774 55 residues pruned to eliminate duplicates Z: 15 35.121 2.053 1.029 0.895 1.000 0.714 CA 1.615 30 residues pruned to eliminate duplicates Z: 16 26.198 2.066 0.635 0.932 1.000 0.867 CB 1.398 16 residues pruned to eliminate duplicates Z: 100 62.328 2.153 0.917 0.591 0.949 0.657 CB 1.465 91 residues pruned to eliminate duplicates Z: 61 54.190 2.178 0.912 0.612 0.983 0.800 CB 1.536 61 residues pruned to eliminate duplicates Z: 13 19.749 2.041 0.585 0.840 0.917 0.500 CB 1.434 13 residues pruned to eliminate duplicates Z: 65 67.835 2.337 1.027 0.587 0.953 0.609 CB 1.728 65 residues pruned to eliminate duplicates Z: 12 16.948 2.005 1.539 0.597 0.727 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 12 21.445 1.925 1.029 0.792 1.000 0.727 CB 1.282 8 residues pruned to eliminate duplicates Z: 72 64.305 2.272 1.009 0.533 0.944 0.577 CB 1.715 64 residues pruned to eliminate duplicates Z: 14 25.518 2.310 0.426 0.941 1.000 1.000 CA 1.491 14 residues pruned to eliminate duplicates Z: 15 30.865 2.151 0.678 0.942 1.000 0.929 CB 1.585 15 residues pruned to eliminate duplicates Z: 23 34.800 2.084 0.863 0.779 0.955 0.500 CB 1.565 23 residues pruned to eliminate duplicates Z: 70 66.482 2.317 0.999 0.582 0.942 0.725 CA 1.695 70 residues pruned to eliminate duplicates Z: 14 26.351 2.040 0.891 0.857 1.000 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 57 60.326 2.306 0.830 0.636 0.982 0.714 CB 1.713 57 residues pruned to eliminate duplicates Z: 12 17.311 2.081 0.615 0.721 0.818 0.455 CA 1.554 12 residues pruned to eliminate duplicates Z: 68 59.980 2.234 0.958 0.598 0.955 0.627 CB 1.597 69 residues pruned to eliminate duplicates Z: 11 13.210 1.848 0.662 0.724 0.900 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 15 22.550 2.039 0.646 0.865 0.929 0.786 CB 1.418 15 residues pruned to eliminate duplicates Z: 9 22.334 2.204 0.583 0.859 1.000 0.750 CB 1.665 9 residues pruned to eliminate duplicates Z: 13 27.053 2.039 1.238 0.858 0.917 0.750 CB 1.375 13 residues pruned to eliminate duplicates Z: 78 64.264 2.297 0.895 0.550 0.935 0.623 CB 1.714 78 residues pruned to eliminate duplicates Z: 17 27.337 2.280 0.908 0.718 0.875 0.500 CB 1.474 17 residues pruned to eliminate duplicates Z: 11 22.204 2.065 1.445 0.620 0.900 0.700 CB 1.379 Z: 56 67.828 2.365 0.944 0.657 0.982 0.709 CA 1.752 56 residues pruned to eliminate duplicates Z: 16 34.104 2.151 1.010 0.916 1.000 0.733 CB 1.439 16 residues pruned to eliminate duplicates Z: 16 28.456 2.212 0.794 0.580 1.000 0.667 CB 1.715 16 residues pruned to eliminate duplicates Z: 6 6.548 2.064 0.979 0.450 0.600 0.400 CB 1.258 6 residues pruned to eliminate duplicates Z: 61 57.066 2.260 0.856 0.620 0.950 0.717 CB 1.651 61 residues pruned to eliminate duplicates Z: 30 48.282 2.325 1.096 0.676 0.966 0.828 CA 1.620 30 residues pruned to eliminate duplicates Z: 69 61.510 2.213 0.946 0.604 0.985 0.779 CB 1.592 69 residues pruned to eliminate duplicates Z: 15 23.018 2.087 0.792 0.785 0.786 0.500 CB 1.629 15 residues pruned to eliminate duplicates Z: 14 27.925 2.144 0.790 0.936 1.000 0.923 CB 1.405 14 residues pruned to eliminate duplicates Z: 16 32.017 2.161 0.889 0.899 1.000 0.600 CA 1.448 16 residues pruned to eliminate duplicates Z: 8 10.160 1.939 0.339 0.837 0.857 0.857 CB 1.292 8 residues pruned to eliminate duplicates Z: 14 25.986 2.190 0.748 0.864 0.923 0.692 CB 1.495 14 residues pruned to eliminate duplicates Z: 21 29.491 2.062 0.881 0.797 0.900 0.600 CB 1.456 21 residues pruned to eliminate duplicates Z: 16 13.725 2.024 1.209 0.258 0.667 0.467 CB 1.568 16 residues pruned to eliminate duplicates Z: 17 28.730 2.110 0.947 0.879 0.938 0.750 CA 1.352 17 residues pruned to eliminate duplicates Z: 14 31.933 2.092 1.307 0.878 1.000 0.769 CB 1.332 17 residues pruned to eliminate duplicates Z: 12 22.232 2.190 0.737 0.839 0.909 0.545 CA 1.447 12 residues pruned to eliminate duplicates Z: 15 29.379 2.105 0.937 0.884 0.929 0.714 CB 1.499 15 residues pruned to eliminate duplicates Z: 55 55.572 2.215 0.949 0.660 0.963 0.759 CB 1.568 55 residues pruned to eliminate duplicates Z: 22 33.882 1.970 0.834 0.897 0.952 0.857 CB 1.538 22 residues pruned to eliminate duplicates Z: 15 20.306 2.176 0.531 0.801 0.857 0.571 CB 1.462 15 residues pruned to eliminate duplicates Z: 30 37.808 2.062 1.111 0.661 0.862 0.586 CB 1.611 30 residues pruned to eliminate duplicates Z: 24 32.165 1.939 0.857 0.863 0.913 0.652 CB 1.497 24 residues pruned to eliminate duplicates Z: 36 32.899 2.026 0.952 0.640 0.829 0.457 CA 1.488 36 residues pruned to eliminate duplicates Z: 23 36.021 2.087 0.932 0.853 0.955 0.636 CB 1.475 Z: 16 27.285 2.086 0.685 0.941 1.000 0.933 CB 1.391 16 residues pruned to eliminate duplicates Z: 15 31.594 2.095 0.864 0.855 1.000 0.643 CA 1.596 14 residues pruned to eliminate duplicates Z: 18 18.265 2.015 0.381 0.713 0.882 0.529 CA 1.488 18 residues pruned to eliminate duplicates Z: 46 51.967 2.209 0.845 0.680 1.000 0.778 CB 1.611 46 residues pruned to eliminate duplicates Z: 23 33.660 2.113 0.992 0.782 0.955 0.591 CB 1.393 25 residues pruned to eliminate duplicates Z: 15 19.665 2.065 0.437 0.932 1.000 0.857 CB 1.237 15 residues pruned to eliminate duplicates Z: 17 31.243 2.204 0.865 0.858 1.000 0.750 CA 1.399 17 residues pruned to eliminate duplicates Z: 13 25.451 2.123 0.722 0.942 1.000 1.000 CB 1.393 13 residues pruned to eliminate duplicates Z: 33 38.824 2.216 1.120 0.559 0.938 0.594 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 17.003 2.116 0.549 0.770 0.800 0.733 CB 1.318 16 residues pruned to eliminate duplicates Z: 16 28.988 2.244 0.758 0.754 0.933 0.533 CA 1.622 16 residues pruned to eliminate duplicates Z: 63 66.294 2.362 0.966 0.592 0.935 0.661 CA 1.775 63 residues pruned to eliminate duplicates Z: 65 56.327 2.223 0.838 0.615 0.969 0.797 CB 1.595 65 residues pruned to eliminate duplicates Z: 65 57.120 2.220 0.933 0.599 0.953 0.766 CB 1.588 65 residues pruned to eliminate duplicates Z: 59 57.997 2.206 1.001 0.641 0.983 0.741 CB 1.539 60 residues pruned to eliminate duplicates Z: 11 13.497 1.998 0.444 0.740 0.900 0.500 CB 1.326 11 residues pruned to eliminate duplicates Z: 15 40.365 2.258 1.226 0.945 1.000 0.786 CA 1.485 15 residues pruned to eliminate duplicates Z: 49 66.042 2.379 1.070 0.645 0.979 0.812 CA 1.726 92 residues pruned to eliminate duplicates Z: 15 29.539 2.129 0.752 0.935 0.929 0.929 CA 1.589 15 residues pruned to eliminate duplicates Z: 15 23.411 2.161 0.404 0.899 1.000 0.929 CB 1.474 15 residues pruned to eliminate duplicates Z: 16 26.973 2.073 0.735 0.907 1.000 0.733 CB 1.376 16 residues pruned to eliminate duplicates Z: 14 31.085 2.053 1.124 0.903 1.000 0.769 CB 1.409 14 residues pruned to eliminate duplicates Z: 41 31.590 2.093 0.903 0.549 0.825 0.600 CB 1.449 41 residues pruned to eliminate duplicates Z: 24 26.868 1.914 0.708 0.836 0.913 0.522 CB 1.405 24 residues pruned to eliminate duplicates Z: 14 26.237 2.117 0.636 0.939 0.923 0.769 CA 1.582 14 residues pruned to eliminate duplicates Z: 56 69.004 2.369 0.960 0.655 1.000 0.745 CA 1.736 56 residues pruned to eliminate duplicates Z: 15 22.238 2.049 0.475 0.918 1.000 0.929 CB 1.387 15 residues pruned to eliminate duplicates Z: 14 31.146 2.111 1.059 0.874 0.923 0.692 CB 1.566 14 residues pruned to eliminate duplicates Z: 41 52.089 2.285 0.948 0.680 0.925 0.650 CA 1.695 41 residues pruned to eliminate duplicates Z: 25 24.892 2.106 0.983 0.573 0.792 0.500 CB 1.433 26 residues pruned to eliminate duplicates Z: 11 14.581 1.788 0.651 0.799 1.000 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 24 27.720 2.025 0.702 0.836 0.913 0.652 CB 1.374 24 residues pruned to eliminate duplicates Z: 10 17.600 2.092 0.496 0.843 1.000 0.667 CB 1.396 10 residues pruned to eliminate duplicates Z: 10 15.384 2.014 0.498 0.822 0.889 0.444 CB 1.447 10 residues pruned to eliminate duplicates Z: 24 34.782 2.086 1.058 0.826 0.870 0.696 CB 1.465 Z: 15 24.373 2.091 0.681 0.777 0.929 0.571 CB 1.563 15 residues pruned to eliminate duplicates Z: 13 18.482 2.245 0.257 0.776 0.833 0.500 CA 1.779 13 residues pruned to eliminate duplicates Z: 64 61.392 2.228 1.052 0.598 0.968 0.794 CB 1.591 63 residues pruned to eliminate duplicates Z: 14 13.040 1.902 0.170 0.830 0.923 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 12 19.463 2.119 0.531 0.760 0.909 0.636 CA 1.579 12 residues pruned to eliminate duplicates Z: 22 36.284 2.148 0.954 0.805 0.952 0.476 CB 1.518 22 residues pruned to eliminate duplicates Z: 63 59.396 2.235 0.893 0.610 0.968 0.661 CB 1.659 63 residues pruned to eliminate duplicates Z: 54 56.999 2.321 0.935 0.619 0.925 0.774 CA 1.685 54 residues pruned to eliminate duplicates Z: 14 29.695 2.145 0.961 0.782 1.000 0.846 CA 1.528 14 residues pruned to eliminate duplicates Z: 10 15.320 1.906 0.660 0.833 1.000 0.778 CB 1.211 10 residues pruned to eliminate duplicates Z: 14 30.865 2.091 0.918 0.900 1.000 0.769 CA 1.524 14 residues pruned to eliminate duplicates Z: 12 24.703 2.098 0.724 0.843 1.000 0.545 CB 1.533 12 residues pruned to eliminate duplicates Z: 11 11.624 1.777 0.570 0.707 1.000 0.800 CB 1.091 11 residues pruned to eliminate duplicates Z: 18 27.425 2.245 1.088 0.455 0.882 0.824 CB 1.684 18 residues pruned to eliminate duplicates Z: 12 16.321 1.830 0.787 0.784 0.909 0.273 CB 1.289 12 residues pruned to eliminate duplicates Z: 14 33.518 2.102 1.089 0.883 1.000 0.769 CB 1.531 14 residues pruned to eliminate duplicates Z: 14 31.034 2.183 0.880 0.938 1.000 0.692 CB 1.458 14 residues pruned to eliminate duplicates Z: 15 14.769 2.167 1.014 0.312 0.714 0.571 CB 1.560 15 residues pruned to eliminate duplicates Z: 64 65.153 2.355 0.839 0.603 0.968 0.778 CB 1.776 72 residues pruned to eliminate duplicates Z: 57 69.200 2.341 0.972 0.659 0.982 0.768 CA 1.760 57 residues pruned to eliminate duplicates Z: 14 29.037 1.978 0.990 0.841 1.000 0.846 CB 1.525 14 residues pruned to eliminate duplicates Z: 14 27.059 2.148 0.612 0.892 1.000 0.769 CB 1.557 13 residues pruned to eliminate duplicates Z: 64 61.329 2.324 0.898 0.603 0.937 0.635 CA 1.696 64 residues pruned to eliminate duplicates Z: 18 19.423 2.070 0.752 0.518 0.941 0.706 CB 1.356 15 residues pruned to eliminate duplicates Z: 15 32.619 1.992 1.089 0.880 1.000 0.643 CA 1.518 15 residues pruned to eliminate duplicates Z: 50 57.433 2.344 0.970 0.622 0.959 0.694 CA 1.651 50 residues pruned to eliminate duplicates Z: 61 61.577 2.281 0.940 0.601 0.950 0.700 CB 1.718 61 residues pruned to eliminate duplicates Z: 12 20.212 2.037 1.001 0.762 0.909 0.818 CA 1.303 12 residues pruned to eliminate duplicates Z: 8 9.039 2.077 0.191 0.913 1.000 1.000 CB 0.978 8 residues pruned to eliminate duplicates Z: 14 29.831 2.150 0.721 0.880 1.000 0.692 CB 1.620 14 residues pruned to eliminate duplicates Z: 56 69.634 2.355 0.972 0.658 0.982 0.764 CB 1.778 56 residues pruned to eliminate duplicates Z: 13 21.936 2.177 1.178 0.607 0.917 0.750 CA 1.316 Z: 15 33.134 2.151 0.900 0.928 1.000 0.786 CB 1.517 15 residues pruned to eliminate duplicates Z: 18 25.005 2.162 0.858 0.495 0.941 0.765 CB 1.612 18 residues pruned to eliminate duplicates Z: 58 65.672 2.341 0.901 0.645 0.965 0.737 CA 1.769 58 residues pruned to eliminate duplicates Z: 22 28.720 2.044 0.977 0.830 0.857 0.571 CB 1.361 22 residues pruned to eliminate duplicates Z: 18 26.530 2.118 0.881 0.562 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 16 23.879 2.002 0.640 0.883 0.933 0.800 CB 1.455 16 residues pruned to eliminate duplicates Z: 19 26.105 2.274 0.649 0.478 1.000 0.611 CB 1.678 19 residues pruned to eliminate duplicates Z: 29 30.567 2.106 0.786 0.615 0.893 0.464 CA 1.543 29 residues pruned to eliminate duplicates Z: 68 53.618 2.238 0.775 0.579 0.925 0.731 CB 1.652 68 residues pruned to eliminate duplicates Z: 9 17.431 2.211 0.199 0.874 1.000 0.625 CB 1.693 9 residues pruned to eliminate duplicates Z: 8 9.060 1.862 0.267 0.824 0.857 0.571 CB 1.279 Z: 9 7.973 1.834 0.413 0.487 0.875 0.625 CA 1.260 9 residues pruned to eliminate duplicates Z: 34 37.742 2.076 1.040 0.691 0.879 0.606 CB 1.482 34 residues pruned to eliminate duplicates Z: 46 51.375 2.276 0.809 0.645 0.956 0.667 CB 1.700 46 residues pruned to eliminate duplicates Z: 65 71.645 2.336 1.076 0.614 0.969 0.734 CB 1.712 65 residues pruned to eliminate duplicates Z: 63 55.844 2.295 0.984 0.557 0.887 0.710 CB 1.660 63 residues pruned to eliminate duplicates Z: 26 22.139 2.078 0.953 0.398 0.880 0.520 CB 1.380 26 residues pruned to eliminate duplicates Z: 15 22.430 2.099 0.656 0.766 0.857 0.571 CA 1.589 15 residues pruned to eliminate duplicates Z: 13 33.627 2.143 1.007 0.911 1.000 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 16 18.434 2.008 0.220 0.927 1.000 0.933 CA 1.361 16 residues pruned to eliminate duplicates Z: 15 31.250 2.131 0.821 0.946 1.000 0.929 CA 1.488 15 residues pruned to eliminate duplicates Z: 40 43.596 2.247 0.936 0.557 0.923 0.692 CB 1.645 40 residues pruned to eliminate duplicates Z: 26 29.685 2.114 0.825 0.650 0.920 0.600 CB 1.454 26 residues pruned to eliminate duplicates Z: 38 36.136 2.088 1.053 0.681 0.865 0.541 CB 1.356 33 residues pruned to eliminate duplicates Z: 13 11.490 1.729 0.494 0.705 1.000 0.583 CB 1.066 13 residues pruned to eliminate duplicates Z: 14 36.657 2.140 1.276 0.842 1.000 0.615 CB 1.556 14 residues pruned to eliminate duplicates Z: 16 16.778 1.973 0.560 0.712 0.800 0.533 CB 1.451 16 residues pruned to eliminate duplicates Z: 7 20.785 2.293 0.627 0.844 1.000 0.667 CB 1.691 7 residues pruned to eliminate duplicates Z: 7 8.692 1.700 0.806 0.455 0.833 0.667 CB 1.453 7 residues pruned to eliminate duplicates Z: 11 17.311 2.227 0.293 0.853 0.900 0.800 CA 1.562 11 residues pruned to eliminate duplicates Z: 14 31.181 2.136 0.924 0.883 1.000 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 11 20.821 2.112 0.452 0.874 1.000 0.700 CA 1.562 11 residues pruned to eliminate duplicates Z: 16 18.053 2.009 0.449 0.790 0.867 0.533 CB 1.433 16 residues pruned to eliminate duplicates Z: 16 29.612 2.324 1.222 0.544 0.800 0.667 CB 1.774 16 residues pruned to eliminate duplicates Z: 102 67.562 2.187 0.899 0.622 0.931 0.693 CB 1.550 99 residues pruned to eliminate duplicates Z: 56 52.101 2.171 0.955 0.656 0.945 0.727 CB 1.515 56 residues pruned to eliminate duplicates Z: 10 22.578 2.055 0.810 0.838 1.000 0.889 CB 1.512 10 residues pruned to eliminate duplicates Z: 11 27.075 2.017 1.272 0.869 1.000 0.900 CB 1.365 12 residues pruned to eliminate duplicates Z: 55 56.645 2.300 0.993 0.598 0.944 0.704 CB 1.622 50 residues pruned to eliminate duplicates Z: 56 51.911 2.209 0.931 0.600 0.964 0.655 CB 1.547 56 residues pruned to eliminate duplicates Z: 16 22.180 2.094 0.600 0.759 0.867 0.533 CA 1.566 16 residues pruned to eliminate duplicates Z: 11 22.344 1.941 0.934 0.856 1.000 0.500 CB 1.388 11 residues pruned to eliminate duplicates Z: 16 30.273 2.060 0.941 0.942 1.000 0.800 CB 1.356 16 residues pruned to eliminate duplicates Z: 16 25.883 2.092 0.634 0.909 0.933 0.867 CA 1.486 16 residues pruned to eliminate duplicates Z: 12 26.410 2.209 1.368 0.712 0.818 0.727 CB 1.536 12 residues pruned to eliminate duplicates Z: 14 14.077 1.802 0.763 0.762 0.923 0.769 CB 1.055 14 residues pruned to eliminate duplicates Z: 12 13.144 2.089 0.994 0.277 0.909 0.727 CB 1.346 12 residues pruned to eliminate duplicates Z: 14 25.330 2.072 0.854 0.831 0.923 0.692 CA 1.489 14 residues pruned to eliminate duplicates Z: 14 28.860 2.108 0.975 0.905 0.923 0.923 CA 1.482 14 residues pruned to eliminate duplicates Z: 64 65.780 2.341 0.924 0.609 0.952 0.683 CA 1.743 64 residues pruned to eliminate duplicates Z: 100 73.548 2.297 0.895 0.594 0.919 0.667 CB 1.689 100 residues pruned to eliminate duplicates Z: 19 19.408 1.963 0.498 0.753 0.944 0.722 CA 1.314 19 residues pruned to eliminate duplicates Z: 6 5.605 1.923 -0.065 0.709 1.000 0.800 CB 1.153 6 residues pruned to eliminate duplicates Z: 10 30.496 2.223 1.385 0.778 1.000 0.889 CA 1.501 13 residues pruned to eliminate duplicates Z: 10 21.808 2.133 0.908 0.722 0.889 0.778 CA 1.645 10 residues pruned to eliminate duplicates Z: 16 31.211 2.123 0.840 0.926 0.933 0.733 CA 1.550 16 residues pruned to eliminate duplicates Z: 100 76.615 2.286 1.008 0.625 0.919 0.657 CB 1.622 116 residues pruned to eliminate duplicates Z: 16 22.523 2.028 0.529 0.807 0.933 0.600 CB 1.538 16 residues pruned to eliminate duplicates Z: 15 34.521 2.081 0.928 0.899 1.000 0.714 CA 1.644 15 residues pruned to eliminate duplicates Z: 19 34.610 2.104 0.909 0.911 0.944 0.778 CA 1.524 19 residues pruned to eliminate duplicates Z: 65 68.547 2.303 1.021 0.610 0.984 0.750 CB 1.684 65 residues pruned to eliminate duplicates Z: 12 17.477 2.124 0.645 0.770 0.727 0.636 CB 1.632 12 residues pruned to eliminate duplicates Z: 61 58.094 2.266 0.829 0.626 0.983 0.717 CB 1.635 61 residues pruned to eliminate duplicates Z: 36 43.813 2.217 0.961 0.692 0.886 0.600 CB 1.613 36 residues pruned to eliminate duplicates Z: 12 13.270 1.844 0.738 0.805 0.818 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 15 25.801 2.091 0.599 0.840 0.929 0.643 CB 1.657 15 residues pruned to eliminate duplicates Z: 66 66.372 2.284 0.916 0.608 0.954 0.708 CB 1.780 66 residues pruned to eliminate duplicates Z: 17 24.127 2.117 0.529 0.836 1.000 0.812 CB 1.394 17 residues pruned to eliminate duplicates Z: 43 27.573 2.057 0.747 0.556 0.786 0.452 CB 1.427 43 residues pruned to eliminate duplicates Z: 14 35.678 2.151 1.124 0.879 1.000 0.462 CB 1.571 14 residues pruned to eliminate duplicates Z: 21 26.614 2.173 1.010 0.494 0.850 0.600 CA 1.613 Z: 6 3.158 1.685 0.002 0.390 0.800 0.400 C 1.175 Z: 65 64.325 2.323 0.961 0.614 0.938 0.719 CB 1.690 63 residues pruned to eliminate duplicates Z: 14 18.639 2.167 0.355 0.766 0.923 0.538 CB 1.507 14 residues pruned to eliminate duplicates Z: 70 49.986 2.147 0.854 0.568 0.928 0.667 CB 1.525 70 residues pruned to eliminate duplicates Z: 59 68.270 2.293 0.938 0.660 0.983 0.793 CB 1.770 59 residues pruned to eliminate duplicates Z: 14 28.755 2.101 0.760 0.898 1.000 0.769 CB 1.543 14 residues pruned to eliminate duplicates Z: 7 7.320 2.042 1.025 0.354 0.667 0.667 CA 1.269 7 residues pruned to eliminate duplicates Z: 50 53.235 2.223 1.004 0.646 0.959 0.816 CB 1.554 50 residues pruned to eliminate duplicates Z: 54 57.363 2.286 0.966 0.616 0.925 0.642 CB 1.699 51 residues pruned to eliminate duplicates Z: 30 29.655 2.127 0.892 0.488 0.862 0.621 CB 1.607 30 residues pruned to eliminate duplicates Z: 66 53.758 2.207 0.891 0.594 0.938 0.692 CB 1.556 66 residues pruned to eliminate duplicates Z: 16 22.774 2.122 0.389 0.881 1.000 0.800 CB 1.444 16 residues pruned to eliminate duplicates Z: 13 26.062 2.160 0.916 0.912 0.917 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 16 25.106 2.236 0.508 0.904 1.000 0.933 CA 1.370 16 residues pruned to eliminate duplicates Z: 75 69.306 2.286 0.967 0.601 0.986 0.716 CB 1.650 75 residues pruned to eliminate duplicates Z: 20 31.550 2.145 0.829 0.826 0.895 0.421 CB 1.555 20 residues pruned to eliminate duplicates Z: 16 23.355 2.190 0.601 0.757 0.867 0.733 CA 1.578 16 residues pruned to eliminate duplicates Z: 15 28.338 1.917 1.063 0.895 1.000 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 57 66.809 2.334 0.942 0.649 0.982 0.714 CB 1.746 57 residues pruned to eliminate duplicates Z: 7 8.060 1.767 0.469 0.854 0.833 0.500 CA 1.123 7 residues pruned to eliminate duplicates Z: 24 38.812 2.115 0.930 0.850 0.957 0.565 CB 1.536 24 residues pruned to eliminate duplicates Z: 22 39.153 2.106 0.947 0.870 1.000 0.762 CB 1.521 22 residues pruned to eliminate duplicates Z: 16 16.160 1.927 1.257 0.417 0.800 0.467 CA 1.308 16 residues pruned to eliminate duplicates Z: 11 13.838 1.828 0.800 0.811 1.000 0.600 CB 1.014 11 residues pruned to eliminate duplicates Z: 11 17.324 1.974 0.616 0.787 0.900 0.400 CB 1.482 11 residues pruned to eliminate duplicates Z: 14 28.878 2.142 0.906 0.908 0.923 0.923 CB 1.510 14 residues pruned to eliminate duplicates Z: 65 61.904 2.322 0.971 0.590 0.953 0.750 CB 1.627 65 residues pruned to eliminate duplicates Z: 64 56.131 2.187 0.929 0.590 0.968 0.778 CB 1.588 64 residues pruned to eliminate duplicates Z: 61 58.279 2.209 0.925 0.626 0.983 0.817 CB 1.598 61 residues pruned to eliminate duplicates Z: 44 46.622 2.168 1.177 0.613 0.860 0.512 CB 1.573 44 residues pruned to eliminate duplicates Z: 11 12.078 1.926 0.527 0.871 0.900 0.600 CB 1.052 11 residues pruned to eliminate duplicates Z: 16 17.400 1.965 0.494 0.825 0.867 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 16 24.928 2.140 0.934 0.890 0.867 0.733 CA 1.291 16 residues pruned to eliminate duplicates Z: 29 31.956 2.094 0.810 0.610 0.893 0.429 CA 1.607 29 residues pruned to eliminate duplicates Z: 16 17.475 2.107 0.170 0.826 0.933 0.667 CA 1.479 16 residues pruned to eliminate duplicates Z: 7 7.165 1.991 -0.336 0.781 1.000 0.500 O 1.726 6 residues pruned to eliminate duplicates Z: 59 55.127 2.209 0.944 0.628 0.966 0.724 CB 1.547 59 residues pruned to eliminate duplicates Z: 12 30.623 1.991 1.532 0.751 1.000 0.636 CB 1.464 12 residues pruned to eliminate duplicates Z: 15 34.581 2.110 0.981 0.927 1.000 0.786 CB 1.549 15 residues pruned to eliminate duplicates Z: 60 60.820 2.264 0.902 0.637 0.983 0.712 CB 1.645 60 residues pruned to eliminate duplicates Z: 12 13.595 1.892 0.629 0.641 0.909 0.545 CB 1.282 12 residues pruned to eliminate duplicates Z: 14 19.327 2.035 1.044 0.601 0.769 0.615 CB 1.522 14 residues pruned to eliminate duplicates Z: 14 24.784 2.223 1.085 0.576 0.923 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 60 65.383 2.259 0.944 0.631 0.983 0.729 CB 1.744 60 residues pruned to eliminate duplicates Z: 15 14.094 2.072 0.680 0.433 0.786 0.571 CB 1.476 15 residues pruned to eliminate duplicates Z: 7 5.688 1.665 0.020 0.759 1.000 0.833 CB 1.085 Z: 11 17.164 1.949 0.563 0.830 1.000 0.600 CA 1.340 11 residues pruned to eliminate duplicates Z: 36 22.609 1.970 0.880 0.468 0.829 0.486 CB 1.287 8 residues pruned to eliminate duplicates Z: 24 40.779 1.952 1.086 0.907 0.957 0.783 CB 1.552 24 residues pruned to eliminate duplicates Z: 13 30.675 2.199 1.001 0.862 0.917 0.583 CA 1.612 13 residues pruned to eliminate duplicates Z: 64 64.186 2.345 1.002 0.584 0.921 0.714 CA 1.726 64 residues pruned to eliminate duplicates Z: 14 34.463 2.153 1.216 0.954 1.000 0.846 CB 1.378 14 residues pruned to eliminate duplicates Z: 24 30.340 1.923 0.875 0.843 0.913 0.522 CB 1.431 24 residues pruned to eliminate duplicates Z: 12 18.338 1.810 0.827 0.854 0.909 0.818 CB 1.359 12 residues pruned to eliminate duplicates Z: 6 3.773 1.653 0.076 0.538 1.000 0.800 CB 0.914 Z: 12 15.022 2.075 0.312 0.793 0.909 0.636 CB 1.415 12 residues pruned to eliminate duplicates Z: 12 25.601 2.161 0.983 0.730 1.000 0.818 CA 1.464 12 residues pruned to eliminate duplicates Z: 8 13.623 1.954 0.846 0.543 0.857 0.286 CB 1.596 8 residues pruned to eliminate duplicates Z: 8 6.283 1.521 0.548 0.716 0.857 0.714 N 0.968 Z: 16 20.485 2.043 0.407 0.773 0.933 0.400 CA 1.548 16 residues pruned to eliminate duplicates Z: 61 66.868 2.323 1.035 0.598 0.950 0.700 CB 1.750 61 residues pruned to eliminate duplicates Z: 6 5.761 1.857 -0.189 0.828 1.000 0.800 CB 1.287 Z: 7 18.562 1.888 1.040 0.880 1.000 0.833 CA 1.426 7 residues pruned to eliminate duplicates Z: 15 28.888 1.997 0.887 0.888 1.000 0.643 CB 1.476 15 residues pruned to eliminate duplicates Z: 9 12.807 1.905 0.540 0.795 0.875 0.625 CA 1.361 9 residues pruned to eliminate duplicates Z: 17 14.718 1.924 0.413 0.807 0.750 0.500 CB 1.382 17 residues pruned to eliminate duplicates Z: 7 6.527 1.553 0.675 0.247 1.000 0.333 N 1.371 4 residues pruned to eliminate duplicates Z: 7 4.623 1.779 -0.237 0.696 0.833 0.500 O 1.395 Z: 75 50.525 2.159 0.955 0.536 0.905 0.622 CB 1.484 76 residues pruned to eliminate duplicates Z: 15 24.377 1.999 0.726 0.901 0.929 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 9 7.207 1.705 0.317 0.572 0.750 0.625 CB 1.412 7 residues pruned to eliminate duplicates Z: 16 18.868 1.989 0.462 0.786 0.867 0.600 CB 1.503 16 residues pruned to eliminate duplicates Z: 62 49.972 2.143 0.797 0.624 0.967 0.689 CB 1.529 62 residues pruned to eliminate duplicates Z: 12 34.448 2.250 1.228 0.774 1.000 0.909 CB 1.626 20 residues pruned to eliminate duplicates Z: 44 53.775 2.349 1.005 0.635 0.953 0.744 CA 1.608 44 residues pruned to eliminate duplicates Z: 11 7.435 1.868 0.572 0.328 0.800 0.500 CB 1.210 11 residues pruned to eliminate duplicates Z: 10 11.322 2.031 0.479 0.645 0.778 0.667 CB 1.411 10 residues pruned to eliminate duplicates Z: 16 19.881 1.995 0.593 0.793 0.867 0.533 CB 1.440 16 residues pruned to eliminate duplicates Z: 63 58.504 2.290 0.783 0.580 0.984 0.710 CB 1.712 63 residues pruned to eliminate duplicates Z: 7 9.033 2.095 1.226 0.566 0.667 0.500 CA 1.112 7 residues pruned to eliminate duplicates Z: 65 62.841 2.258 0.983 0.597 0.922 0.719 CB 1.735 65 residues pruned to eliminate duplicates Z: 36 49.759 2.220 1.026 0.703 0.943 0.429 CB 1.649 36 residues pruned to eliminate duplicates Z: 24 27.608 1.891 0.875 0.861 0.826 0.739 CB 1.444 24 residues pruned to eliminate duplicates Z: 6 2.336 1.218 0.156 0.299 1.000 0.400 N 0.929 Z: 17 26.531 2.052 0.621 0.906 1.000 0.812 CB 1.418 17 residues pruned to eliminate duplicates Z: 11 13.142 2.084 0.390 0.600 1.000 0.600 CB 1.305 11 residues pruned to eliminate duplicates Z: 7 7.311 1.984 -0.310 0.862 1.000 0.667 N 1.602 7 residues pruned to eliminate duplicates Z: 102 65.544 2.189 0.920 0.620 0.911 0.644 CB 1.521 102 residues pruned to eliminate duplicates Z: 60 60.257 2.271 0.901 0.639 0.966 0.661 CB 1.652 60 residues pruned to eliminate duplicates Z: 14 16.260 1.900 1.073 0.546 0.846 0.692 CB 1.293 14 residues pruned to eliminate duplicates Z: 18 28.350 2.098 0.644 0.808 0.941 0.706 CA 1.619 18 residues pruned to eliminate duplicates Z: 11 24.772 2.017 1.192 0.805 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 14 12.068 1.887 0.375 0.783 0.846 0.615 CB 1.189 14 residues pruned to eliminate duplicates Z: 27 37.398 2.099 1.260 0.712 0.808 0.538 CB 1.578 27 residues pruned to eliminate duplicates Z: 35 36.550 2.155 0.985 0.664 0.882 0.529 CB 1.427 35 residues pruned to eliminate duplicates Z: 22 27.213 2.116 0.871 0.471 1.000 0.619 CA 1.545 22 residues pruned to eliminate duplicates Z: 21 16.556 2.012 0.734 0.436 0.800 0.550 CB 1.417 21 residues pruned to eliminate duplicates Z: 55 69.392 2.324 1.022 0.668 0.981 0.722 CB 1.752 55 residues pruned to eliminate duplicates Z: 58 63.219 2.277 0.916 0.664 0.982 0.789 CB 1.678 58 residues pruned to eliminate duplicates Z: 8 4.562 1.780 1.014 0.442 0.714 0.286 CB 0.715 2 residues pruned to eliminate duplicates Z: 45 38.108 2.135 0.863 0.637 0.864 0.614 CB 1.471 89 residues pruned to eliminate duplicates Z: 11 15.351 2.024 0.393 0.844 0.800 0.700 CB 1.603 11 residues pruned to eliminate duplicates Z: 129 89.486 2.309 0.897 0.591 0.953 0.719 CA 1.737 129 residues pruned to eliminate duplicates Z: 9 4.672 1.826 -0.170 0.606 1.000 0.750 CB 0.985 Z: 6 5.585 1.776 -0.186 0.870 1.000 1.000 O 1.262 Z: 61 62.713 2.259 0.916 0.632 0.950 0.783 CA 1.740 61 residues pruned to eliminate duplicates Z: 13 29.399 2.154 0.918 0.954 1.000 0.917 CB 1.413 13 residues pruned to eliminate duplicates Z: 32 52.219 2.362 0.978 0.587 1.000 0.613 CB 1.846 32 residues pruned to eliminate duplicates Z: 8 6.679 1.817 0.654 0.341 0.714 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 32 31.471 2.045 0.683 0.628 0.935 0.484 CA 1.557 32 residues pruned to eliminate duplicates Z: 13 25.238 2.097 1.025 0.848 0.833 0.583 CB 1.528 13 residues pruned to eliminate duplicates Z: 16 24.681 2.066 0.807 0.818 0.933 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 29 41.565 2.277 0.946 0.687 0.929 0.500 CB 1.608 39 residues pruned to eliminate duplicates Z: 65 48.272 2.190 0.745 0.553 0.938 0.688 CB 1.600 65 residues pruned to eliminate duplicates Z: 15 20.559 2.249 0.396 0.781 0.857 0.643 CA 1.594 15 residues pruned to eliminate duplicates Z: 15 34.161 2.077 0.931 0.944 1.000 0.786 CA 1.576 15 residues pruned to eliminate duplicates Z: 58 52.938 2.209 0.828 0.644 0.912 0.702 CB 1.664 58 residues pruned to eliminate duplicates Z: 6 4.699 1.945 1.034 0.250 0.600 0.200 CA 1.181 Z: 61 49.957 2.169 0.791 0.629 0.950 0.783 CB 1.548 61 residues pruned to eliminate duplicates Z: 8 9.417 1.934 -0.057 0.663 1.000 0.714 CB 1.679 8 residues pruned to eliminate duplicates Z: 16 32.817 2.151 1.226 0.625 0.933 0.733 CA 1.686 16 residues pruned to eliminate duplicates Z: 20 15.279 1.928 0.658 0.433 0.842 0.684 CB 1.395 20 residues pruned to eliminate duplicates Z: 37 40.952 2.206 1.008 0.700 0.806 0.417 CB 1.594 38 residues pruned to eliminate duplicates Z: 11 22.856 2.297 0.927 0.702 0.900 0.800 CB 1.509 11 residues pruned to eliminate duplicates Z: 54 60.687 2.329 0.841 0.645 0.981 0.792 CB 1.730 54 residues pruned to eliminate duplicates Z: 20 32.839 2.076 1.117 0.602 0.947 0.684 CB 1.642 20 residues pruned to eliminate duplicates Z: 7 10.810 1.731 0.538 0.861 1.000 1.000 CB 1.218 7 residues pruned to eliminate duplicates Z: 12 14.580 2.192 0.413 0.773 0.818 0.455 CB 1.363 12 residues pruned to eliminate duplicates Z: 6 5.863 1.746 -0.149 0.660 1.000 0.600 C 1.521 Z: 15 15.497 1.896 0.756 0.547 0.857 0.429 CA 1.386 15 residues pruned to eliminate duplicates Z: 8 4.437 1.629 0.533 0.275 0.857 0.286 CB 1.010 8 residues pruned to eliminate duplicates Z: 85 76.991 2.306 0.984 0.632 0.940 0.667 CB 1.724 85 residues pruned to eliminate duplicates Z: 51 36.281 2.112 0.601 0.568 0.900 0.660 CB 1.578 51 residues pruned to eliminate duplicates Z: 21 31.526 2.031 0.845 0.862 0.950 0.700 CA 1.454 21 residues pruned to eliminate duplicates Z: 7 3.415 1.772 0.210 0.490 0.667 0.667 CB 0.986 7 residues pruned to eliminate duplicates Z: 7 2.375 1.568 0.256 0.405 1.000 0.500 CB 0.544 Z: 16 13.727 1.897 0.322 0.869 0.800 0.733 CB 1.291 16 residues pruned to eliminate duplicates Z: 54 70.733 2.319 1.042 0.682 1.000 0.792 CB 1.736 54 residues pruned to eliminate duplicates Z: 15 30.924 2.103 0.886 0.940 1.000 0.643 CA 1.447 15 residues pruned to eliminate duplicates Z: 19 26.541 2.065 0.936 0.554 0.944 0.722 CA 1.571 19 residues pruned to eliminate duplicates Z: 49 50.907 2.296 0.900 0.600 0.875 0.667 CB 1.749 49 residues pruned to eliminate duplicates Z: 10 11.655 1.780 0.806 0.628 0.889 0.778 C 1.206 10 residues pruned to eliminate duplicates Z: 12 23.406 2.199 0.811 0.835 0.818 0.636 CA 1.623 12 residues pruned to eliminate duplicates Z: 15 19.000 2.001 0.370 0.948 1.000 1.000 CB 1.279 15 residues pruned to eliminate duplicates Z: 17 18.878 1.987 0.459 0.802 0.875 0.688 CB 1.428 17 residues pruned to eliminate duplicates Z: 60 60.882 2.269 0.824 0.627 0.983 0.729 CA 1.729 60 residues pruned to eliminate duplicates Z: 6 8.492 1.903 0.746 0.593 0.800 0.800 CB 1.308 Z: 14 30.410 2.146 0.997 0.950 1.000 1.000 CB 1.357 14 residues pruned to eliminate duplicates Z: 40 41.201 2.259 0.665 0.606 0.949 0.692 CA 1.671 40 residues pruned to eliminate duplicates Z: 15 21.347 2.074 0.527 0.822 1.000 0.786 CB 1.363 15 residues pruned to eliminate duplicates Z: 70 61.322 2.281 0.928 0.572 0.957 0.652 CB 1.637 70 residues pruned to eliminate duplicates Z: 9 6.784 1.722 0.508 0.309 0.875 0.625 CA 1.304 9 residues pruned to eliminate duplicates Z: 22 25.465 1.940 0.814 0.846 0.952 0.667 CB 1.232 Z: 28 7.697 1.727 0.253 0.341 0.778 0.370 CB 1.047 34 residues pruned to eliminate duplicates Z: 7 5.258 1.766 0.432 0.505 0.833 0.667 CB 1.014 7 residues pruned to eliminate duplicates Z: 14 20.686 2.198 0.195 0.915 1.000 0.923 CB 1.543 14 residues pruned to eliminate duplicates Z: 62 56.071 2.262 0.792 0.594 0.951 0.705 CB 1.702 62 residues pruned to eliminate duplicates Z: 25 26.898 2.078 0.907 0.671 0.792 0.542 CB 1.494 25 residues pruned to eliminate duplicates Z: 18 16.356 2.049 0.708 0.499 0.824 0.588 CB 1.378 18 residues pruned to eliminate duplicates Z: 56 63.769 2.283 0.996 0.637 0.945 0.727 CB 1.756 56 residues pruned to eliminate duplicates Z: 14 28.744 2.150 0.796 0.942 1.000 0.923 CB 1.432 14 residues pruned to eliminate duplicates Z: 21 13.811 1.887 0.625 0.414 0.850 0.450 CB 1.296 21 residues pruned to eliminate duplicates Z: 10 13.656 1.983 0.531 0.876 1.000 0.778 CB 1.089 10 residues pruned to eliminate duplicates Z: 55 48.672 2.256 0.752 0.585 0.926 0.741 CB 1.668 55 residues pruned to eliminate duplicates Z: 12 14.856 1.941 0.593 0.760 0.818 0.636 CA 1.405 12 residues pruned to eliminate duplicates Z: 7 8.804 2.013 0.537 0.721 1.000 0.833 CB 0.952 Z: 32 36.469 2.147 1.070 0.580 0.871 0.548 CB 1.567 29 residues pruned to eliminate duplicates Z: 14 8.228 1.789 0.234 0.715 0.615 0.385 CA 1.382 14 residues pruned to eliminate duplicates Z: 15 26.054 2.152 0.560 0.905 1.000 0.714 CB 1.477 15 residues pruned to eliminate duplicates Z: 91 69.432 2.292 0.907 0.594 0.922 0.678 CB 1.659 91 residues pruned to eliminate duplicates Z: 14 30.532 2.124 0.847 0.929 1.000 0.769 CA 1.510 14 residues pruned to eliminate duplicates Z: 61 56.147 2.241 0.866 0.608 0.950 0.750 CB 1.646 61 residues pruned to eliminate duplicates Z: 7 9.167 1.813 0.232 0.747 1.000 0.333 CB 1.343 7 residues pruned to eliminate duplicates Z: 8 10.990 1.962 1.023 0.459 0.714 0.571 CB 1.528 8 residues pruned to eliminate duplicates Z: 11 9.034 1.529 0.867 0.790 0.700 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 18 28.412 2.272 0.791 0.462 1.000 0.588 CB 1.760 18 residues pruned to eliminate duplicates Z: 52 47.111 2.183 0.734 0.612 0.961 0.725 CB 1.632 52 residues pruned to eliminate duplicates Z: 14 10.434 1.659 0.804 0.408 0.846 0.462 N 1.258 14 residues pruned to eliminate duplicates Z: 8 6.465 1.636 -0.126 0.630 1.000 0.286 C 1.512 8 residues pruned to eliminate duplicates Z: 17 18.175 1.963 0.538 0.703 0.938 0.750 CB 1.334 17 residues pruned to eliminate duplicates Z: 33 29.527 2.054 0.714 0.626 0.938 0.812 CA 1.404 33 residues pruned to eliminate duplicates Z: 60 61.642 2.252 0.864 0.636 1.000 0.729 CB 1.682 60 residues pruned to eliminate duplicates Z: 15 24.377 2.007 0.705 0.904 0.857 0.643 CA 1.583 15 residues pruned to eliminate duplicates Z: 6 2.889 1.513 0.163 0.479 0.600 0.400 N 1.251 Z: 13 19.505 2.028 1.218 0.597 0.833 0.500 CB 1.370 13 residues pruned to eliminate duplicates Z: 31 36.298 2.176 0.975 0.612 0.933 0.600 CB 1.486 31 residues pruned to eliminate duplicates Z: 10 8.729 2.013 0.577 0.326 0.778 0.556 CB 1.426 10 residues pruned to eliminate duplicates Z: 10 20.134 2.102 0.942 0.565 0.889 0.667 C 1.736 10 residues pruned to eliminate duplicates Z: 7 5.467 2.016 0.309 0.400 0.667 0.500 CB 1.411 Z: 15 29.164 2.236 0.925 0.852 0.929 0.714 CA 1.443 15 residues pruned to eliminate duplicates Z: 63 65.221 2.280 1.022 0.606 0.968 0.710 CA 1.679 63 residues pruned to eliminate duplicates Z: 6 8.183 1.928 0.560 0.425 0.800 0.400 CB 1.645 6 residues pruned to eliminate duplicates Z: 14 26.879 2.070 0.729 0.888 1.000 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 44 28.134 2.067 0.696 0.544 0.837 0.488 CB 1.400 44 residues pruned to eliminate duplicates Z: 7 3.180 1.685 -0.023 0.479 0.833 0.500 CB 0.967 Z: 39 53.343 2.227 0.887 0.740 1.000 0.684 CB 1.661 39 residues pruned to eliminate duplicates Z: 12 12.718 1.674 0.617 0.829 1.000 0.818 CB 1.066 12 residues pruned to eliminate duplicates Z: 8 5.695 1.837 0.446 0.447 0.714 0.429 CA 1.198 8 residues pruned to eliminate duplicates Z: 20 24.863 2.066 0.801 0.527 1.000 0.526 CA 1.493 20 residues pruned to eliminate duplicates Z: 16 18.677 1.967 0.930 0.452 0.867 0.600 CA 1.540 16 residues pruned to eliminate duplicates Z: 66 57.808 2.248 0.838 0.575 0.969 0.677 CB 1.665 66 residues pruned to eliminate duplicates Z: 22 31.853 2.064 0.895 0.858 0.905 0.667 CB 1.446 22 residues pruned to eliminate duplicates Z: 18 23.320 2.187 0.704 0.539 0.824 0.529 CB 1.773 18 residues pruned to eliminate duplicates Z: 15 18.530 2.027 0.679 0.717 0.857 0.643 CB 1.396 15 residues pruned to eliminate duplicates Z: 9 7.902 1.598 0.455 0.581 1.000 0.750 CB 1.112 9 residues pruned to eliminate duplicates Z: 55 49.503 2.227 0.679 0.598 0.963 0.685 CA 1.704 64 residues pruned to eliminate duplicates Z: 15 35.597 2.231 1.127 0.628 1.000 0.714 CB 1.778 16 residues pruned to eliminate duplicates Z: 30 36.755 2.172 0.965 0.681 0.897 0.655 CB 1.510 30 residues pruned to eliminate duplicates Z: 61 62.449 2.276 0.908 0.633 0.933 0.700 CB 1.756 61 residues pruned to eliminate duplicates Z: 9 6.433 1.679 0.038 0.483 0.875 0.500 CB 1.516 7 residues pruned to eliminate duplicates Z: 11 5.574 1.683 -0.219 0.527 0.900 0.600 CB 1.451 8 residues pruned to eliminate duplicates Z: 6 4.868 1.636 -0.064 0.861 1.000 1.000 CB 1.045 5 residues pruned to eliminate duplicates Z: 20 30.227 2.084 1.243 0.609 0.895 0.789 CB 1.495 20 residues pruned to eliminate duplicates Z: 13 29.858 2.107 1.147 0.842 1.000 0.500 CA 1.420 13 residues pruned to eliminate duplicates Z: 56 56.710 2.290 0.800 0.605 0.964 0.727 CB 1.742 56 residues pruned to eliminate duplicates Z: 6 5.584 1.762 0.255 0.723 0.800 0.400 CB 1.155 6 residues pruned to eliminate duplicates Z: 22 33.660 2.271 1.193 0.485 0.905 0.667 CB 1.655 22 residues pruned to eliminate duplicates Z: 35 39.958 2.092 1.055 0.710 0.882 0.588 CB 1.494 35 residues pruned to eliminate duplicates Z: 54 46.734 2.214 1.023 0.537 0.887 0.528 CB 1.559 54 residues pruned to eliminate duplicates Z: 64 57.254 2.220 0.896 0.640 0.937 0.778 CB 1.605 64 residues pruned to eliminate duplicates Z: 13 31.000 2.223 1.171 0.772 1.000 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 15 22.854 1.970 0.906 0.761 0.929 0.500 CB 1.389 15 residues pruned to eliminate duplicates Z: 6 2.974 1.668 -0.264 0.713 1.000 0.600 CB 0.894 6 residues pruned to eliminate duplicates Z: 36 21.437 1.961 0.793 0.437 0.886 0.457 CB 1.242 36 residues pruned to eliminate duplicates Z: 6 3.412 1.683 0.275 0.396 0.800 0.400 CA 0.992 6 residues pruned to eliminate duplicates Z: 13 23.045 2.145 1.139 0.682 0.833 0.667 CB 1.473 Z: 50 42.822 2.151 0.807 0.613 0.939 0.735 CB 1.507 50 residues pruned to eliminate duplicates Z: 7 6.722 1.927 -0.210 0.637 1.000 0.667 N 1.586 Z: 39 43.648 2.193 1.077 0.677 0.842 0.605 CB 1.568 39 residues pruned to eliminate duplicates Z: 20 22.844 2.023 0.637 0.477 1.000 0.526 CB 1.620 20 residues pruned to eliminate duplicates Z: 36 39.180 2.203 1.093 0.663 0.829 0.600 CB 1.490 35 residues pruned to eliminate duplicates Z: 11 12.553 1.812 0.790 0.834 0.900 0.500 CB 1.019 12 residues pruned to eliminate duplicates Z: 32 44.710 2.348 0.952 0.616 0.968 0.710 CA 1.622 32 residues pruned to eliminate duplicates Z: 64 56.197 2.215 0.965 0.629 0.921 0.794 CB 1.566 64 residues pruned to eliminate duplicates Z: 8 2.543 1.472 0.421 0.205 0.714 0.571 C 0.913 Z: 9 4.515 1.463 0.296 0.407 0.875 0.500 CB 1.060 7 residues pruned to eliminate duplicates Z: 8 8.499 1.773 -0.008 0.726 1.000 1.000 CB 1.490 7 residues pruned to eliminate duplicates Z: 18 26.937 2.109 0.750 0.535 1.000 0.765 CB 1.711 18 residues pruned to eliminate duplicates Z: 13 21.468 2.115 1.161 0.669 0.833 0.833 CA 1.391 12 residues pruned to eliminate duplicates 7 0.695 1.124 -0.150 0.408 0.833 0.667 CB 0.392 ? Z: 10 2.943 1.756 -0.094 0.196 0.778 0.222 CB 1.139 7 residues pruned to eliminate duplicates Z: 49 57.854 2.290 1.041 0.621 0.938 0.625 CB 1.701 49 residues pruned to eliminate duplicates Z: 28 25.186 2.024 0.941 0.414 0.926 0.704 CA 1.457 28 residues pruned to eliminate duplicates Z: 32 37.473 2.302 0.916 0.519 0.968 0.677 CA 1.547 32 residues pruned to eliminate duplicates Z: 43 31.355 2.060 0.658 0.604 0.881 0.762 CB 1.457 43 residues pruned to eliminate duplicates Z: 8 5.119 1.536 0.161 0.632 1.000 0.714 CB 0.959 Z: 11 12.122 1.752 0.950 0.608 0.800 0.400 CB 1.266 Z: 84 75.725 2.345 0.874 0.659 0.940 0.602 CB 1.736 84 residues pruned to eliminate duplicates Z: 7 3.376 1.387 0.283 0.553 1.000 0.833 CB 0.735 Z: 14 22.126 2.022 0.916 0.845 0.769 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 18 22.983 2.193 0.692 0.484 0.941 0.529 CB 1.623 18 residues pruned to eliminate duplicates Z: 8 7.443 1.737 0.315 0.606 0.857 0.857 CB 1.300 Z: 24 36.129 1.959 0.852 0.853 1.000 0.696 CB 1.535 24 residues pruned to eliminate duplicates Z: 46 45.196 2.164 0.900 0.664 0.911 0.756 CB 1.545 46 residues pruned to eliminate duplicates Z: 6 2.248 1.264 0.156 0.429 0.800 0.800 CA 0.926 Z: 23 36.861 2.213 1.108 0.616 0.955 0.909 CB 1.581 23 residues pruned to eliminate duplicates Z: 7 4.596 1.346 0.185 0.841 1.000 1.000 CB 0.877 Z: 39 49.528 2.271 0.983 0.620 0.947 0.763 CB 1.681 39 residues pruned to eliminate duplicates Z: 28 32.911 2.082 0.995 0.541 0.926 0.778 CB 1.582 28 residues pruned to eliminate duplicates Z: 9 6.921 1.730 0.090 0.428 1.000 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 16 15.922 1.727 0.433 0.799 0.933 0.733 CA 1.371 16 residues pruned to eliminate duplicates Z: 14 18.336 2.068 0.751 0.434 1.000 0.692 CA 1.503 14 residues pruned to eliminate duplicates Z: 17 26.316 2.180 0.998 0.578 0.875 0.625 CA 1.602 17 residues pruned to eliminate duplicates Z: 22 19.975 1.965 0.650 0.551 0.857 0.476 CB 1.493 22 residues pruned to eliminate duplicates Z: 24 21.560 2.143 0.917 0.391 0.783 0.522 CB 1.570 24 residues pruned to eliminate duplicates Z: 9 2.088 1.472 0.342 0.290 0.750 0.625 CB 0.631 9 residues pruned to eliminate duplicates Z: 49 61.579 2.339 0.880 0.648 1.000 0.729 CB 1.760 49 residues pruned to eliminate duplicates Z: 56 36.013 2.083 0.902 0.503 0.873 0.527 CB 1.401 56 residues pruned to eliminate duplicates Z: 6 2.046 1.674 0.029 0.299 0.800 0.400 CB 0.830 Z: 10 5.621 1.635 -0.120 0.528 1.000 0.889 CB 1.268 9 residues pruned to eliminate duplicates Z: 14 22.203 2.070 0.752 0.740 0.846 0.385 CA 1.619 14 residues pruned to eliminate duplicates Z: 62 64.651 2.329 0.939 0.612 0.967 0.689 CA 1.705 62 residues pruned to eliminate duplicates Z: 58 58.787 2.202 0.978 0.679 0.982 0.789 CB 1.543 58 residues pruned to eliminate duplicates Z: 9 9.646 1.654 0.715 0.747 0.875 0.625 CB 1.101 Z: 15 31.969 2.120 1.009 0.929 1.000 0.786 CB 1.403 15 residues pruned to eliminate duplicates Z: 50 43.050 2.167 0.740 0.639 0.918 0.755 CB 1.559 50 residues pruned to eliminate duplicates Z: 40 30.004 2.055 0.569 0.592 0.974 0.769 CB 1.401 40 residues pruned to eliminate duplicates Z: 39 26.419 2.051 0.764 0.558 0.842 0.421 CB 1.330 75 residues pruned to eliminate duplicates Z: 40 54.184 2.313 1.104 0.678 0.923 0.513 CB 1.640 41 residues pruned to eliminate duplicates Z: 12 15.838 1.827 0.936 0.622 0.909 0.273 CB 1.323 Z: 55 47.870 2.172 0.880 0.649 0.944 0.648 CB 1.471 55 residues pruned to eliminate duplicates Z: 14 28.048 2.109 1.031 0.775 0.923 0.769 CB 1.543 14 residues pruned to eliminate duplicates Z: 9 8.665 1.842 0.532 0.468 1.000 0.625 C 1.122 Z: 28 37.713 2.351 0.788 0.558 0.889 0.667 CB 1.836 28 residues pruned to eliminate duplicates Z: 21 27.260 2.253 1.001 0.456 0.850 0.650 CB 1.664 21 residues pruned to eliminate duplicates Z: 10 5.512 1.803 -0.005 0.358 1.000 0.556 CB 1.195 8 residues pruned to eliminate duplicates Z: 71 59.332 2.276 0.956 0.560 0.886 0.714 CA 1.697 66 residues pruned to eliminate duplicates Z: 67 70.920 2.316 1.065 0.596 0.970 0.667 CB 1.718 67 residues pruned to eliminate duplicates Z: 9 6.346 1.516 0.609 0.467 0.875 0.500 CB 1.087 Z: 10 12.011 1.896 0.424 0.850 0.889 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 7 3.034 1.437 0.507 0.365 0.833 0.500 CB 0.793 Z: 9 15.204 1.933 0.853 0.841 1.000 0.250 CB 1.119 Using tripeptides from previous cycle as seeds Z: 62 63.754 2.263 0.980 0.616 0.951 0.738 CA 1.717 62 residues pruned to eliminate duplicates Z: 75 66.445 2.276 1.002 0.586 0.932 0.689 CB 1.674 80 residues pruned to eliminate duplicates Z: 6 5.443 1.527 1.169 0.373 0.800 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 16 24.148 2.010 1.115 0.616 0.933 0.600 CB 1.407 15 residues pruned to eliminate duplicates Z: 6 5.772 1.759 0.539 0.278 1.000 0.400 CA 1.226 6 residues pruned to eliminate duplicates Z: 37 41.611 2.187 1.045 0.675 0.861 0.583 CB 1.533 23 residues pruned to eliminate duplicates Z: 6 2.212 1.613 0.642 0.415 0.400 0.200 CB 1.020 6 residues pruned to eliminate duplicates Z: 55 55.324 2.248 1.075 0.619 0.889 0.667 CB 1.624 56 residues pruned to eliminate duplicates Z: 16 22.892 2.080 0.868 0.743 0.867 0.533 CB 1.412 16 residues pruned to eliminate duplicates Z: 32 26.366 2.207 0.935 0.426 0.806 0.484 CB 1.484 32 residues pruned to eliminate duplicates Z: 26 25.097 2.075 0.722 0.663 0.840 0.560 CB 1.438 26 residues pruned to eliminate duplicates Z: 39 39.687 2.124 1.069 0.652 0.868 0.684 CB 1.464 39 residues pruned to eliminate duplicates Z: 40 34.354 2.150 0.968 0.620 0.846 0.692 CB 1.372 40 residues pruned to eliminate duplicates Z: 23 28.034 2.119 0.828 0.712 0.864 0.682 CB 1.474 23 residues pruned to eliminate duplicates Z: 28 42.052 2.225 1.140 0.669 0.889 0.704 CB 1.635 28 residues pruned to eliminate duplicates Z: 54 44.934 2.213 0.952 0.566 0.887 0.642 CB 1.512 54 residues pruned to eliminate duplicates Z: 27 44.829 2.227 1.220 0.709 0.923 0.692 CB 1.594 27 residues pruned to eliminate duplicates Z: 41 40.022 2.124 0.916 0.630 0.875 0.675 CB 1.572 38 residues pruned to eliminate duplicates Z: 15 37.733 2.093 1.202 0.890 1.000 0.643 CB 1.574 15 residues pruned to eliminate duplicates Z: 33 29.636 2.076 1.103 0.584 0.844 0.531 CB 1.312 33 residues pruned to eliminate duplicates Z: 40 39.231 2.097 0.970 0.655 0.897 0.590 CB 1.467 40 residues pruned to eliminate duplicates Z: 38 42.550 2.191 0.984 0.663 0.892 0.649 CB 1.552 38 residues pruned to eliminate duplicates Z: 38 44.979 2.178 1.017 0.687 0.919 0.595 CB 1.544 39 residues pruned to eliminate duplicates Z: 11 9.993 1.824 0.738 0.767 0.800 0.700 CB 0.984 11 residues pruned to eliminate duplicates Z: 11 14.334 1.929 0.710 0.697 0.900 0.400 CB 1.276 11 residues pruned to eliminate duplicates Z: 37 29.885 2.090 0.950 0.580 0.889 0.472 CB 1.273 37 residues pruned to eliminate duplicates Z: 14 12.792 1.862 0.749 0.639 0.846 0.615 CB 1.130 14 residues pruned to eliminate duplicates Z: 12 12.048 1.944 0.763 0.629 0.909 0.545 CB 1.033 12 residues pruned to eliminate duplicates Z: 14 10.550 1.743 0.366 0.531 0.923 0.462 CB 1.291 14 residues pruned to eliminate duplicates Z: 20 13.706 2.004 0.721 0.450 0.842 0.263 CB 1.139 13 residues pruned to eliminate duplicates Z: 6 3.824 1.567 0.475 0.321 1.000 0.400 CA 0.901 6 residues pruned to eliminate duplicates Z: 12 11.307 2.039 0.552 0.322 0.909 0.364 CB 1.442 10 residues pruned to eliminate duplicates Z: 6 2.660 1.957 0.352 0.208 0.600 0.200 CA 1.058 6 residues pruned to eliminate duplicates Z: 61 63.196 2.271 0.923 0.598 0.967 0.683 CB 1.761 61 residues pruned to eliminate duplicates Z: 60 62.066 2.303 0.824 0.607 0.983 0.678 CB 1.767 60 residues pruned to eliminate duplicates Z: 67 63.391 2.271 0.893 0.586 0.955 0.697 CB 1.752 67 residues pruned to eliminate duplicates Z: 66 59.621 2.278 0.782 0.602 0.938 0.738 CB 1.761 66 residues pruned to eliminate duplicates Z: 64 58.769 2.289 0.814 0.578 0.937 0.667 CB 1.766 64 residues pruned to eliminate duplicates Z: 122 91.029 2.344 0.914 0.594 0.950 0.686 CB 1.774 102 residues pruned to eliminate duplicates Z: 6 5.010 1.670 0.977 0.390 0.800 0.600 CA 0.953 6 residues pruned to eliminate duplicates Z: 63 60.136 2.274 0.870 0.581 0.952 0.774 CB 1.746 63 residues pruned to eliminate duplicates Z: 66 60.590 2.276 0.806 0.579 0.969 0.662 CB 1.748 66 residues pruned to eliminate duplicates Z: 62 59.397 2.249 0.807 0.619 0.951 0.705 CA 1.759 62 residues pruned to eliminate duplicates Z: 65 64.754 2.313 0.899 0.580 0.969 0.672 CB 1.761 65 residues pruned to eliminate duplicates Z: 70 61.797 2.265 0.871 0.562 0.971 0.696 CB 1.702 70 residues pruned to eliminate duplicates Z: 71 56.552 2.217 0.830 0.554 0.957 0.671 CB 1.651 71 residues pruned to eliminate duplicates Z: 62 60.682 2.293 0.878 0.601 0.951 0.721 CB 1.724 62 residues pruned to eliminate duplicates Z: 66 64.453 2.284 0.930 0.608 0.969 0.723 CB 1.689 66 residues pruned to eliminate duplicates Z: 81 50.678 2.167 0.835 0.493 0.887 0.613 CB 1.616 81 residues pruned to eliminate duplicates Z: 65 60.122 2.297 0.845 0.585 0.922 0.594 CB 1.773 65 residues pruned to eliminate duplicates Z: 62 64.084 2.309 0.907 0.599 0.967 0.672 CB 1.753 62 residues pruned to eliminate duplicates Z: 65 58.625 2.248 0.890 0.591 0.938 0.625 CA 1.687 65 residues pruned to eliminate duplicates Z: 64 68.849 2.304 0.971 0.607 0.984 0.635 CB 1.753 64 residues pruned to eliminate duplicates Z: 60 58.030 2.268 0.871 0.610 0.932 0.678 CA 1.720 60 residues pruned to eliminate duplicates Z: 68 60.562 2.238 0.895 0.561 0.985 0.687 CB 1.670 68 residues pruned to eliminate duplicates Z: 65 58.297 2.251 0.887 0.566 0.938 0.656 CB 1.717 65 residues pruned to eliminate duplicates Z: 50 43.563 2.150 0.789 0.579 0.898 0.633 CA 1.670 50 residues pruned to eliminate duplicates Z: 66 60.955 2.271 0.905 0.585 0.938 0.677 CB 1.716 66 residues pruned to eliminate duplicates Z: 71 61.275 2.240 0.890 0.549 0.957 0.543 CB 1.722 71 residues pruned to eliminate duplicates Z: 62 66.146 2.315 0.925 0.594 0.984 0.656 CB 1.765 62 residues pruned to eliminate duplicates Z: 73 57.995 2.211 0.873 0.553 0.958 0.625 CB 1.635 73 residues pruned to eliminate duplicates Z: 65 64.711 2.302 0.978 0.596 0.906 0.703 CA 1.788 65 residues pruned to eliminate duplicates Z: 53 46.582 2.151 0.831 0.581 0.923 0.654 CB 1.643 53 residues pruned to eliminate duplicates Z: 66 60.923 2.290 0.860 0.574 0.938 0.615 CB 1.761 66 residues pruned to eliminate duplicates Z: 69 58.596 2.287 0.887 0.540 0.912 0.647 CB 1.736 69 residues pruned to eliminate duplicates Z: 67 61.807 2.270 0.977 0.550 0.924 0.606 CB 1.747 67 residues pruned to eliminate duplicates Z: 62 59.610 2.226 0.931 0.591 0.951 0.705 CA 1.712 62 residues pruned to eliminate duplicates Z: 66 63.684 2.291 0.963 0.553 0.954 0.754 CB 1.748 66 residues pruned to eliminate duplicates Z: 59 64.117 2.298 0.944 0.610 0.966 0.690 CB 1.758 59 residues pruned to eliminate duplicates Z: 67 64.147 2.277 0.915 0.599 0.939 0.727 CB 1.754 67 residues pruned to eliminate duplicates Z: 62 61.370 2.297 0.873 0.578 0.967 0.590 CB 1.752 62 residues pruned to eliminate duplicates Z: 65 67.729 2.293 0.952 0.614 0.969 0.703 CB 1.752 65 residues pruned to eliminate duplicates Z: 68 65.411 2.261 0.890 0.597 0.955 0.731 CB 1.785 68 residues pruned to eliminate duplicates Z: 66 63.577 2.245 0.960 0.583 0.969 0.738 CB 1.707 66 residues pruned to eliminate duplicates Z: 66 64.438 2.269 0.949 0.593 0.954 0.708 CB 1.733 66 residues pruned to eliminate duplicates Z: 63 62.858 2.286 0.973 0.586 0.919 0.726 CA 1.772 63 residues pruned to eliminate duplicates Z: 62 61.091 2.291 0.910 0.592 0.951 0.656 CB 1.722 62 residues pruned to eliminate duplicates Z: 61 62.830 2.261 0.877 0.628 0.950 0.700 CB 1.783 61 residues pruned to eliminate duplicates Z: 67 68.442 2.267 1.017 0.589 0.955 0.636 CB 1.772 67 residues pruned to eliminate duplicates Z: 63 64.044 2.289 0.900 0.604 0.968 0.742 CB 1.750 63 residues pruned to eliminate duplicates Z: 66 67.647 2.287 1.017 0.592 0.969 0.662 CB 1.719 66 residues pruned to eliminate duplicates Z: 66 65.506 2.288 0.954 0.600 0.954 0.785 CA 1.733 66 residues pruned to eliminate duplicates Z: 65 66.734 2.303 0.986 0.605 0.953 0.672 CB 1.731 65 residues pruned to eliminate duplicates Z: 129 90.336 2.297 0.945 0.582 0.953 0.695 CB 1.732 129 residues pruned to eliminate duplicates Z: 62 60.288 2.268 0.902 0.614 0.934 0.623 CB 1.720 62 residues pruned to eliminate duplicates Z: 59 64.248 2.298 1.010 0.629 0.931 0.741 CB 1.738 59 residues pruned to eliminate duplicates Z: 12 6.816 1.670 1.107 0.202 0.727 0.273 CA 1.143 10 residues pruned to eliminate duplicates Z: 6 3.532 1.565 0.979 0.419 1.000 0.600 CB 0.555 6 residues pruned to eliminate duplicates Z: 65 66.797 2.330 1.043 0.595 0.953 0.703 CA 1.681 65 residues pruned to eliminate duplicates Z: 66 66.540 2.334 0.920 0.595 0.985 0.708 CA 1.709 66 residues pruned to eliminate duplicates Z: 90 79.047 2.318 0.981 0.607 0.966 0.596 CA 1.706 90 residues pruned to eliminate duplicates Z: 78 64.120 2.298 0.874 0.585 0.935 0.636 CB 1.672 65 residues pruned to eliminate duplicates Z: 6 2.970 1.487 0.819 0.435 0.800 0.600 CA 0.656 6 residues pruned to eliminate duplicates Z: 66 66.012 2.319 0.984 0.595 0.969 0.769 CA 1.676 66 residues pruned to eliminate duplicates Z: 63 67.143 2.355 0.945 0.599 0.952 0.742 CA 1.780 63 residues pruned to eliminate duplicates Z: 64 62.832 2.345 0.826 0.605 0.968 0.683 CA 1.727 64 residues pruned to eliminate duplicates Z: 68 61.811 2.306 0.886 0.568 0.970 0.597 CA 1.676 68 residues pruned to eliminate duplicates Z: 127 93.739 2.291 1.016 0.606 0.952 0.690 CA 1.716 112 residues pruned to eliminate duplicates Z: 6 6.058 1.776 0.653 0.396 0.800 0.800 CA 1.287 Z: 6 6.496 1.812 0.819 0.347 1.000 0.600 CA 1.041 Z: 8 22.031 2.404 0.868 0.642 1.000 0.857 CA 1.624 8 residues pruned to eliminate duplicates Z: 71 62.718 2.284 0.905 0.567 0.957 0.600 CA 1.687 71 residues pruned to eliminate duplicates Z: 64 64.839 2.345 0.913 0.615 0.952 0.714 CA 1.714 64 residues pruned to eliminate duplicates Z: 65 65.027 2.340 0.948 0.581 0.953 0.719 CA 1.731 65 residues pruned to eliminate duplicates Z: 63 62.838 2.347 0.917 0.614 0.919 0.694 CA 1.732 63 residues pruned to eliminate duplicates Z: 65 61.781 2.303 0.972 0.579 0.938 0.734 CA 1.681 65 residues pruned to eliminate duplicates Z: 121 86.404 2.322 0.928 0.576 0.942 0.675 CB 1.739 121 residues pruned to eliminate duplicates Z: 56 70.935 2.373 0.967 0.662 1.000 0.745 CA 1.764 56 residues pruned to eliminate duplicates Z: 64 62.784 2.358 0.922 0.572 0.937 0.714 CA 1.738 64 residues pruned to eliminate duplicates Z: 64 64.303 2.362 0.991 0.594 0.921 0.683 CA 1.710 76 residues pruned to eliminate duplicates Z: 17 29.639 2.188 0.877 0.861 0.938 0.750 CA 1.414 17 residues pruned to eliminate duplicates Z: 45 55.113 2.322 1.006 0.632 0.932 0.636 CA 1.691 45 residues pruned to eliminate duplicates Z: 65 68.332 2.346 1.056 0.583 0.953 0.703 CA 1.716 65 residues pruned to eliminate duplicates Z: 54 71.482 2.387 1.040 0.664 0.962 0.792 CA 1.801 54 residues pruned to eliminate duplicates Z: 66 68.959 2.344 1.014 0.576 0.969 0.615 CA 1.737 66 residues pruned to eliminate duplicates Z: 57 68.098 2.363 0.959 0.650 0.982 0.714 CA 1.741 57 residues pruned to eliminate duplicates Z: 67 66.983 2.330 0.974 0.590 0.955 0.697 CB 1.723 67 residues pruned to eliminate duplicates Z: 65 74.239 2.364 1.070 0.599 0.984 0.719 CB 1.752 65 residues pruned to eliminate duplicates Z: 74 76.440 2.288 1.093 0.650 0.945 0.685 CB 1.720 74 residues pruned to eliminate duplicates Z: 65 69.503 2.356 0.987 0.599 0.969 0.641 CB 1.744 65 residues pruned to eliminate duplicates Z: 68 58.570 2.311 0.870 0.562 0.925 0.642 CA 1.684 68 residues pruned to eliminate duplicates Z: 70 61.790 2.237 0.947 0.587 0.942 0.609 CB 1.669 70 residues pruned to eliminate duplicates Z: 55 72.910 2.401 0.968 0.670 1.000 0.722 CB 1.794 55 residues pruned to eliminate duplicates Z: 56 63.476 2.374 0.916 0.640 0.945 0.727 CA 1.746 56 residues pruned to eliminate duplicates Z: 67 64.313 2.309 1.026 0.568 0.955 0.621 CB 1.659 67 residues pruned to eliminate duplicates Z: 66 69.460 2.348 1.012 0.599 0.969 0.708 CB 1.712 66 residues pruned to eliminate duplicates Z: 59 69.208 2.353 1.023 0.621 0.983 0.828 CA 1.733 59 residues pruned to eliminate duplicates Z: 65 63.580 2.345 0.916 0.559 0.953 0.672 CA 1.752 65 residues pruned to eliminate duplicates Z: 64 73.985 2.371 1.069 0.622 0.968 0.730 CA 1.748 64 residues pruned to eliminate duplicates Z: 64 68.341 2.352 0.984 0.592 0.968 0.667 CA 1.745 64 residues pruned to eliminate duplicates Z: 65 68.090 2.345 1.014 0.598 0.969 0.672 CA 1.694 66 residues pruned to eliminate duplicates Z: 7 5.161 1.699 0.683 0.418 0.667 0.500 CA 1.204 Z: 6 7.543 1.751 1.215 0.484 0.800 0.800 C 1.105 Z: 6 6.286 1.786 0.658 0.422 0.800 0.800 CB 1.287 6 residues pruned to eliminate duplicates Z: 56 68.769 2.384 0.914 0.645 1.000 0.709 CA 1.774 56 residues pruned to eliminate duplicates Z: 65 66.350 2.339 0.980 0.585 0.953 0.672 CA 1.732 65 residues pruned to eliminate duplicates Z: 17 19.078 2.045 0.813 0.472 0.875 0.688 CB 1.512 29 residues pruned to eliminate duplicates Z: 6 4.318 1.749 1.152 0.440 0.800 0.800 CA 0.682 6 residues pruned to eliminate duplicates Z: 30 49.489 2.315 1.166 0.659 0.931 0.517 CB 1.698 30 residues pruned to eliminate duplicates Z: 29 41.293 2.339 1.182 0.637 0.821 0.536 CB 1.637 29 residues pruned to eliminate duplicates Z: 79 70.447 2.308 1.006 0.582 0.923 0.667 CA 1.725 79 residues pruned to eliminate duplicates Z: 91 79.966 2.343 0.996 0.603 0.944 0.611 CB 1.731 91 residues pruned to eliminate duplicates Z: 31 43.726 2.305 1.096 0.655 0.900 0.500 CB 1.589 31 residues pruned to eliminate duplicates Z: 31 40.574 2.265 1.088 0.621 0.833 0.633 CB 1.676 31 residues pruned to eliminate duplicates Z: 19 34.020 2.341 1.181 0.643 0.833 0.333 CB 1.649 19 residues pruned to eliminate duplicates Z: 43 44.385 2.253 0.991 0.608 0.881 0.476 CB 1.565 43 residues pruned to eliminate duplicates Z: 8 15.204 2.471 0.922 0.484 0.714 0.429 CB 1.722 8 residues pruned to eliminate duplicates Z: 17 17.715 2.135 0.842 0.645 0.750 0.375 CB 1.311 Z: 12 24.990 2.184 0.933 0.915 0.909 0.545 CB 1.388 17 residues pruned to eliminate duplicates Z: 14 30.258 2.198 0.703 0.879 1.000 0.615 CA 1.625 11 residues pruned to eliminate duplicates Z: 15 31.643 2.072 1.055 0.836 1.000 0.714 CB 1.487 15 residues pruned to eliminate duplicates Z: 14 29.151 2.135 0.853 0.853 1.000 0.615 CB 1.509 15 residues pruned to eliminate duplicates Z: 15 31.470 2.088 0.985 0.876 1.000 0.643 CB 1.475 13 residues pruned to eliminate duplicates Z: 15 30.828 2.026 1.040 0.890 1.000 0.857 CB 1.434 16 residues pruned to eliminate duplicates Z: 14 38.200 2.144 1.155 0.858 1.000 0.615 CB 1.688 15 residues pruned to eliminate duplicates Z: 13 35.117 2.189 1.035 0.893 1.000 0.417 CA 1.634 13 residues pruned to eliminate duplicates Z: 15 26.715 2.183 1.169 0.703 0.857 0.643 CB 1.463 15 residues pruned to eliminate duplicates Z: 31 33.909 2.212 1.078 0.626 0.833 0.467 CB 1.435 23 residues pruned to eliminate duplicates Z: 25 38.744 2.161 1.020 0.798 0.958 0.833 CB 1.457 25 residues pruned to eliminate duplicates Z: 39 36.174 2.187 1.246 0.535 0.789 0.579 CB 1.461 34 residues pruned to eliminate duplicates Z: 20 34.979 2.127 1.083 0.802 0.895 0.684 CB 1.555 20 residues pruned to eliminate duplicates Z: 18 18.489 2.002 0.927 0.592 0.765 0.529 CB 1.392 18 residues pruned to eliminate duplicates Z: 12 12.214 2.069 0.817 0.640 0.727 0.455 CB 1.182 12 residues pruned to eliminate duplicates Z: 11 19.868 2.211 0.814 0.657 0.900 0.500 CB 1.504 11 residues pruned to eliminate duplicates Z: 13 19.765 2.093 1.176 0.593 0.833 0.500 CB 1.376 13 residues pruned to eliminate duplicates Z: 16 16.864 1.955 0.876 0.516 0.867 0.600 CB 1.348 16 residues pruned to eliminate duplicates Z: 11 20.853 2.242 1.129 0.689 0.800 0.700 CB 1.452 11 residues pruned to eliminate duplicates Z: 11 24.700 2.329 1.172 0.666 0.900 0.500 CB 1.472 11 residues pruned to eliminate duplicates Z: 95 63.325 2.193 0.910 0.607 0.915 0.670 CB 1.540 95 residues pruned to eliminate duplicates Z: 69 53.771 2.210 0.902 0.588 0.912 0.721 CB 1.564 68 residues pruned to eliminate duplicates Z: 14 31.202 2.194 0.731 0.940 1.000 0.846 CB 1.582 14 residues pruned to eliminate duplicates Z: 67 55.167 2.186 0.936 0.611 0.924 0.742 CB 1.563 67 residues pruned to eliminate duplicates Z: 59 52.736 2.198 0.863 0.628 0.966 0.672 CB 1.552 59 residues pruned to eliminate duplicates Z: 46 43.426 2.147 0.970 0.621 0.911 0.667 CB 1.499 46 residues pruned to eliminate duplicates Z: 55 54.570 2.206 0.902 0.675 0.981 0.759 CB 1.535 55 residues pruned to eliminate duplicates Z: 59 54.853 2.186 0.952 0.627 0.948 0.672 CB 1.580 59 residues pruned to eliminate duplicates Z: 58 50.586 2.196 0.882 0.641 0.930 0.772 CB 1.528 58 residues pruned to eliminate duplicates Z: 60 54.428 2.176 0.989 0.637 0.966 0.695 CB 1.490 60 residues pruned to eliminate duplicates Z: 43 48.012 2.205 1.092 0.607 0.905 0.762 CB 1.603 43 residues pruned to eliminate duplicates Z: 66 57.703 2.211 1.042 0.581 0.938 0.677 CB 1.563 66 residues pruned to eliminate duplicates Z: 55 54.488 2.194 0.934 0.667 0.963 0.815 CB 1.555 55 residues pruned to eliminate duplicates Z: 49 58.173 2.267 0.983 0.720 0.979 0.750 CB 1.564 49 residues pruned to eliminate duplicates Z: 64 57.377 2.249 0.915 0.600 0.968 0.762 CB 1.575 64 residues pruned to eliminate duplicates Z: 65 58.760 2.211 0.990 0.595 0.969 0.688 CB 1.574 65 residues pruned to eliminate duplicates Z: 61 52.596 2.174 0.937 0.617 0.950 0.750 CB 1.520 61 residues pruned to eliminate duplicates Z: 60 59.412 2.208 0.987 0.626 0.983 0.763 CB 1.593 60 residues pruned to eliminate duplicates Z: 65 51.156 2.172 0.893 0.582 0.938 0.688 CB 1.532 65 residues pruned to eliminate duplicates Z: 59 58.619 2.213 1.035 0.628 0.966 0.707 CB 1.570 59 residues pruned to eliminate duplicates Z: 59 55.536 2.199 0.924 0.641 0.966 0.759 CB 1.565 59 residues pruned to eliminate duplicates Z: 60 56.805 2.198 0.986 0.621 0.983 0.729 CB 1.537 60 residues pruned to eliminate duplicates Z: 66 61.137 2.216 1.003 0.609 0.969 0.754 CB 1.590 66 residues pruned to eliminate duplicates Z: 68 56.774 2.229 0.929 0.591 0.940 0.731 CB 1.573 68 residues pruned to eliminate duplicates Z: 64 58.499 2.230 0.911 0.649 0.952 0.746 CB 1.579 64 residues pruned to eliminate duplicates Z: 67 54.943 2.156 0.906 0.604 0.970 0.712 CB 1.537 67 residues pruned to eliminate duplicates Z: 68 59.730 2.236 0.970 0.593 0.970 0.687 CB 1.562 68 residues pruned to eliminate duplicates Z: 59 57.745 2.205 1.011 0.636 0.983 0.741 CB 1.531 59 residues pruned to eliminate duplicates Z: 54 54.072 2.232 0.957 0.628 0.943 0.660 CB 1.598 54 residues pruned to eliminate duplicates Z: 41 50.802 2.201 0.945 0.738 1.000 0.800 CB 1.516 41 residues pruned to eliminate duplicates Z: 73 55.838 2.118 0.891 0.651 0.931 0.542 CB 1.533 56 residues pruned to eliminate duplicates 6 1.781 1.788 0.198 0.256 0.600 0.400 CB 0.820 ? Z: 19 20.265 1.983 0.891 0.580 0.833 0.333 CB 1.414 19 residues pruned to eliminate duplicates Z: 37 38.768 2.096 1.066 0.663 0.889 0.389 CB 1.444 37 residues pruned to eliminate duplicates Z: 35 40.518 2.114 1.035 0.708 0.882 0.500 CB 1.516 35 residues pruned to eliminate duplicates Z: 37 41.029 2.126 1.029 0.653 0.889 0.611 CB 1.547 39 residues pruned to eliminate duplicates Z: 13 36.803 2.188 1.042 0.895 1.000 0.500 CB 1.704 13 residues pruned to eliminate duplicates Z: 35 38.654 2.128 1.105 0.699 0.824 0.559 CB 1.498 35 residues pruned to eliminate duplicates Z: 58 44.561 2.131 0.980 0.559 0.860 0.526 CB 1.537 58 residues pruned to eliminate duplicates Z: 45 35.656 2.089 0.953 0.589 0.864 0.455 CB 1.401 36 residues pruned to eliminate duplicates Z: 16 35.194 2.008 1.034 0.893 1.000 0.733 CA 1.598 16 residues pruned to eliminate duplicates Z: 26 45.805 2.112 1.286 0.687 1.000 0.520 CB 1.598 26 residues pruned to eliminate duplicates Z: 50 39.802 2.012 0.950 0.584 0.898 0.469 CB 1.489 45 residues pruned to eliminate duplicates Z: 14 29.837 2.125 1.224 0.835 0.923 0.769 CA 1.421 14 residues pruned to eliminate duplicates Z: 72 54.016 2.137 0.940 0.617 0.901 0.620 CB 1.536 72 residues pruned to eliminate duplicates Z: 28 35.193 2.180 0.929 0.647 0.889 0.519 CB 1.579 28 residues pruned to eliminate duplicates Z: 35 39.760 2.152 1.040 0.693 0.853 0.471 CB 1.526 35 residues pruned to eliminate duplicates Z: 31 35.803 2.131 0.869 0.637 0.900 0.333 CB 1.604 31 residues pruned to eliminate duplicates Z: 72 38.897 2.059 0.646 0.584 0.901 0.549 CB 1.394 28 residues pruned to eliminate duplicates Z: 12 18.365 1.840 0.770 0.782 1.000 0.091 CB 1.326 12 residues pruned to eliminate duplicates Z: 39 38.175 2.086 0.995 0.664 0.842 0.526 CB 1.518 39 residues pruned to eliminate duplicates Z: 10 14.866 1.995 0.693 0.694 0.889 0.444 CA 1.382 10 residues pruned to eliminate duplicates Z: 26 31.049 2.132 0.853 0.675 0.840 0.560 CB 1.592 26 residues pruned to eliminate duplicates Z: 13 10.963 1.952 0.410 0.649 0.750 0.417 CA 1.335 13 residues pruned to eliminate duplicates Z: 90 62.420 2.177 0.800 0.628 0.933 0.697 CB 1.605 90 residues pruned to eliminate duplicates Z: 15 11.889 1.846 0.463 0.589 0.857 0.500 CA 1.261 15 residues pruned to eliminate duplicates Z: 32 34.750 2.108 0.858 0.571 0.935 0.484 CA 1.590 32 residues pruned to eliminate duplicates Z: 13 16.416 1.933 0.629 0.629 0.917 0.333 CA 1.454 13 residues pruned to eliminate duplicates Z: 12 8.505 1.971 0.327 0.355 0.818 0.364 CB 1.403 12 residues pruned to eliminate duplicates Z: 13 8.798 1.918 0.498 0.310 0.750 0.417 CA 1.454 13 residues pruned to eliminate duplicates Z: 14 11.207 1.883 0.610 0.319 0.846 0.462 CA 1.480 14 residues pruned to eliminate duplicates Z: 12 8.102 1.875 0.437 0.330 0.727 0.455 CA 1.501 12 residues pruned to eliminate duplicates Z: 15 13.608 2.064 1.025 0.280 0.714 0.500 CA 1.562 15 residues pruned to eliminate duplicates Z: 9 6.414 2.055 0.567 0.273 0.625 0.375 CA 1.456 9 residues pruned to eliminate duplicates Z: 70 51.758 2.180 0.758 0.591 0.957 0.725 CB 1.558 70 residues pruned to eliminate duplicates Z: 7 6.260 1.810 0.801 0.351 0.833 0.333 CA 1.105 7 residues pruned to eliminate duplicates Z: 69 55.864 2.215 0.845 0.590 0.971 0.691 CB 1.567 69 residues pruned to eliminate duplicates Z: 6 3.430 1.725 0.474 0.406 1.000 0.600 CB 0.666 6 residues pruned to eliminate duplicates Z: 80 51.672 2.150 0.781 0.574 0.937 0.759 CB 1.508 80 residues pruned to eliminate duplicates Z: 61 56.055 2.203 0.869 0.632 0.983 0.783 CB 1.579 61 residues pruned to eliminate duplicates Z: 6 5.557 1.635 1.187 0.309 0.800 0.400 CB 1.075 6 residues pruned to eliminate duplicates Z: 40 34.163 2.132 0.831 0.649 0.846 0.667 CB 1.442 40 residues pruned to eliminate duplicates Z: 65 53.451 2.195 0.858 0.611 0.969 0.703 CB 1.521 65 residues pruned to eliminate duplicates Z: 71 51.019 2.154 0.833 0.584 0.943 0.643 CB 1.512 71 residues pruned to eliminate duplicates Z: 64 59.359 2.242 0.935 0.608 0.968 0.825 CB 1.606 64 residues pruned to eliminate duplicates Z: 6 2.710 1.550 0.493 0.423 0.800 0.600 CB 0.709 6 residues pruned to eliminate duplicates Z: 11 25.965 2.114 1.275 0.652 0.900 0.700 C 1.646 11 residues pruned to eliminate duplicates Z: 12 30.031 2.280 0.941 0.716 1.000 0.727 CB 1.683 12 residues pruned to eliminate duplicates Z: 43 35.690 2.075 1.081 0.529 0.833 0.571 CB 1.487 43 residues pruned to eliminate duplicates Z: 41 38.595 2.118 1.062 0.566 0.875 0.400 CB 1.498 41 residues pruned to eliminate duplicates Z: 14 24.877 2.180 0.965 0.608 1.000 0.615 CA 1.453 14 residues pruned to eliminate duplicates Z: 17 25.479 2.004 1.117 0.630 0.938 0.875 CB 1.417 17 residues pruned to eliminate duplicates Z: 38 43.719 2.210 1.088 0.667 0.865 0.568 CB 1.543 40 residues pruned to eliminate duplicates Z: 6 2.674 1.500 0.898 0.381 0.600 0.200 C 0.795 6 residues pruned to eliminate duplicates Z: 26 45.871 2.265 1.090 0.708 0.960 0.560 CA 1.671 26 residues pruned to eliminate duplicates Z: 35 47.964 2.260 1.037 0.675 0.941 0.588 CB 1.616 35 residues pruned to eliminate duplicates Z: 13 27.932 2.108 1.016 0.861 0.917 0.750 CA 1.521 13 residues pruned to eliminate duplicates Z: 37 44.471 2.199 1.026 0.679 0.889 0.722 CB 1.587 37 residues pruned to eliminate duplicates Z: 44 46.414 2.224 1.010 0.598 0.907 0.558 CB 1.590 44 residues pruned to eliminate duplicates Z: 15 24.987 2.057 0.957 0.649 0.929 0.357 CA 1.554 15 residues pruned to eliminate duplicates Z: 36 46.422 2.232 1.077 0.674 0.886 0.629 CB 1.627 36 residues pruned to eliminate duplicates Z: 41 45.403 2.297 1.063 0.551 0.850 0.525 CB 1.696 25 residues pruned to eliminate duplicates Z: 16 31.089 1.975 1.147 0.856 1.000 0.467 CB 1.396 16 residues pruned to eliminate duplicates Z: 15 20.815 2.164 0.966 0.657 0.786 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 37 39.948 2.131 0.937 0.675 0.917 0.694 CB 1.498 37 residues pruned to eliminate duplicates Z: 39 44.018 2.111 1.044 0.704 0.921 0.763 CB 1.492 39 residues pruned to eliminate duplicates Z: 37 47.582 2.152 1.205 0.747 0.889 0.667 CB 1.507 37 residues pruned to eliminate duplicates Z: 45 42.948 2.156 1.098 0.641 0.864 0.659 CB 1.452 45 residues pruned to eliminate duplicates Z: 15 14.580 1.930 0.858 0.511 0.786 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 26 19.780 1.981 0.698 0.490 0.840 0.440 CB 1.414 26 residues pruned to eliminate duplicates Z: 28 25.290 2.049 0.693 0.591 0.889 0.630 CB 1.447 28 residues pruned to eliminate duplicates Z: 39 40.404 2.108 0.956 0.657 0.895 0.658 CB 1.536 39 residues pruned to eliminate duplicates Z: 20 22.125 2.039 0.899 0.455 0.895 0.474 CB 1.534 20 residues pruned to eliminate duplicates Z: 12 18.652 1.915 0.883 0.648 0.909 0.455 CB 1.495 12 residues pruned to eliminate duplicates Z: 13 20.593 1.881 0.879 0.616 1.000 0.500 C 1.508 13 residues pruned to eliminate duplicates Z: 43 49.143 2.229 1.027 0.630 0.929 0.643 CB 1.599 43 residues pruned to eliminate duplicates Z: 15 16.526 1.942 0.796 0.466 0.857 0.429 CB 1.530 15 residues pruned to eliminate duplicates Z: 8 5.580 1.721 0.689 0.260 0.714 0.571 C 1.338 8 residues pruned to eliminate duplicates Z: 21 17.765 2.004 0.817 0.480 0.900 0.500 CB 1.237 21 residues pruned to eliminate duplicates Z: 11 11.987 1.818 0.741 0.431 1.000 0.500 CB 1.287 11 residues pruned to eliminate duplicates Z: 10 13.836 1.989 0.736 0.441 1.000 0.444 CA 1.419 10 residues pruned to eliminate duplicates Z: 15 10.497 1.996 0.656 0.261 0.786 0.357 CB 1.419 8 residues pruned to eliminate duplicates Z: 6 4.757 1.682 0.330 0.477 1.000 0.600 CB 0.974 7 residues pruned to eliminate duplicates Z: 6 3.999 1.545 0.449 0.410 1.000 0.600 CA 0.878 5 residues pruned to eliminate duplicates Z: 8 4.801 1.475 0.567 0.429 0.857 0.429 C 0.986 15 residues pruned to eliminate duplicates Z: 66 63.104 2.306 0.949 0.581 0.954 0.738 CB 1.689 66 residues pruned to eliminate duplicates Z: 64 67.762 2.355 0.952 0.598 0.968 0.714 CB 1.747 64 residues pruned to eliminate duplicates Z: 83 58.938 2.230 0.840 0.565 0.902 0.646 CB 1.650 95 residues pruned to eliminate duplicates Z: 63 62.829 2.304 0.958 0.577 0.968 0.742 CB 1.696 63 residues pruned to eliminate duplicates Z: 81 52.205 2.181 0.861 0.531 0.900 0.663 CB 1.550 81 residues pruned to eliminate duplicates Z: 63 63.006 2.315 0.938 0.575 0.968 0.758 CB 1.714 63 residues pruned to eliminate duplicates Z: 58 67.597 2.363 0.978 0.601 0.982 0.684 CB 1.771 58 residues pruned to eliminate duplicates Z: 58 66.373 2.357 0.948 0.611 0.982 0.702 CB 1.754 58 residues pruned to eliminate duplicates Z: 79 67.301 2.287 0.969 0.555 0.962 0.654 CB 1.668 79 residues pruned to eliminate duplicates Z: 66 64.297 2.320 0.955 0.581 0.954 0.708 CB 1.706 66 residues pruned to eliminate duplicates Z: 40 48.870 2.236 0.908 0.634 0.974 0.692 CA 1.660 40 residues pruned to eliminate duplicates Z: 127 85.209 2.291 0.931 0.595 0.952 0.706 CB 1.646 255 residues pruned to eliminate duplicates Z: 101 70.542 2.232 1.001 0.592 0.900 0.610 CB 1.607 112 residues pruned to eliminate duplicates Z: 92 74.313 2.256 1.066 0.587 0.934 0.703 CB 1.645 83 residues pruned to eliminate duplicates Z: 18 26.809 2.150 0.524 0.759 1.000 0.882 CA 1.576 18 residues pruned to eliminate duplicates Z: 127 92.292 2.317 0.981 0.613 0.952 0.746 CB 1.690 101 residues pruned to eliminate duplicates Z: 14 26.990 2.238 0.472 0.922 1.000 0.846 CB 1.598 14 residues pruned to eliminate duplicates Z: 91 75.719 2.285 1.028 0.621 0.933 0.689 CB 1.647 91 residues pruned to eliminate duplicates Z: 68 67.805 2.318 1.026 0.589 0.940 0.657 CB 1.722 68 residues pruned to eliminate duplicates Z: 79 67.354 2.285 1.015 0.558 0.936 0.641 CB 1.672 79 residues pruned to eliminate duplicates Z: 61 67.410 2.360 1.050 0.592 0.950 0.700 CB 1.735 61 residues pruned to eliminate duplicates Z: 121 88.335 2.281 0.976 0.585 0.967 0.667 CB 1.706 121 residues pruned to eliminate duplicates Z: 60 66.283 2.362 1.023 0.597 0.949 0.661 CB 1.734 60 residues pruned to eliminate duplicates Z: 66 66.840 2.321 1.012 0.575 0.954 0.631 CB 1.733 66 residues pruned to eliminate duplicates Z: 62 65.876 2.309 1.015 0.580 0.984 0.689 CB 1.705 62 residues pruned to eliminate duplicates Z: 70 60.663 2.281 0.943 0.548 0.942 0.638 CB 1.669 70 residues pruned to eliminate duplicates Z: 60 67.030 2.331 1.044 0.604 0.966 0.746 CB 1.717 60 residues pruned to eliminate duplicates Z: 68 64.428 2.286 0.992 0.581 0.940 0.716 CB 1.701 68 residues pruned to eliminate duplicates Z: 118 91.695 2.313 1.000 0.619 0.966 0.735 CB 1.696 118 residues pruned to eliminate duplicates Z: 63 65.789 2.334 1.017 0.576 0.968 0.661 CB 1.705 63 residues pruned to eliminate duplicates Z: 102 80.533 2.305 0.925 0.637 0.941 0.713 CB 1.689 102 residues pruned to eliminate duplicates Z: 70 61.084 2.270 0.946 0.538 0.971 0.623 CB 1.651 70 residues pruned to eliminate duplicates Z: 124 91.268 2.315 0.980 0.607 0.959 0.715 CB 1.691 124 residues pruned to eliminate duplicates Z: 96 72.851 2.240 1.046 0.580 0.926 0.600 CB 1.630 96 residues pruned to eliminate duplicates Z: 66 66.049 2.312 1.014 0.579 0.954 0.662 CB 1.709 66 residues pruned to eliminate duplicates Z: 71 59.244 2.260 0.964 0.536 0.929 0.629 CB 1.658 71 residues pruned to eliminate duplicates Z: 64 69.459 2.358 1.022 0.604 0.968 0.746 CB 1.717 64 residues pruned to eliminate duplicates Z: 65 70.889 2.356 1.015 0.593 0.969 0.750 CB 1.762 65 residues pruned to eliminate duplicates Z: 65 64.406 2.319 0.987 0.579 0.938 0.656 CB 1.726 65 residues pruned to eliminate duplicates Z: 59 66.325 2.347 1.021 0.612 0.966 0.707 CB 1.710 59 residues pruned to eliminate duplicates Z: 65 66.245 2.338 1.079 0.572 0.938 0.672 CB 1.694 65 residues pruned to eliminate duplicates Z: 59 69.063 2.335 1.020 0.620 0.983 0.672 CB 1.746 59 residues pruned to eliminate duplicates Z: 69 60.522 2.294 0.965 0.532 0.941 0.662 CB 1.676 69 residues pruned to eliminate duplicates Z: 63 62.961 2.305 1.043 0.575 0.935 0.710 CB 1.688 63 residues pruned to eliminate duplicates Z: 128 87.938 2.313 0.922 0.610 0.945 0.740 CB 1.674 128 residues pruned to eliminate duplicates Z: 67 63.503 2.319 0.994 0.571 0.939 0.652 CB 1.679 67 residues pruned to eliminate duplicates Z: 67 67.066 2.314 1.050 0.579 0.955 0.652 CB 1.689 67 residues pruned to eliminate duplicates Z: 113 87.329 2.323 0.938 0.619 0.955 0.705 CB 1.714 113 residues pruned to eliminate duplicates Z: 68 64.808 2.316 1.012 0.584 0.925 0.687 CB 1.694 68 residues pruned to eliminate duplicates Z: 69 61.256 2.283 0.884 0.586 0.941 0.632 CB 1.690 69 residues pruned to eliminate duplicates Z: 120 89.622 2.287 0.960 0.625 0.958 0.706 CB 1.701 120 residues pruned to eliminate duplicates Z: 61 59.124 2.258 0.897 0.604 0.983 0.733 CB 1.642 61 residues pruned to eliminate duplicates Z: 60 55.443 2.263 0.831 0.609 0.932 0.746 CB 1.685 60 residues pruned to eliminate duplicates Z: 60 58.516 2.269 0.818 0.626 0.966 0.763 CB 1.698 60 residues pruned to eliminate duplicates Z: 68 59.068 2.247 0.864 0.585 0.955 0.716 CB 1.662 67 residues pruned to eliminate duplicates Z: 6 9.257 1.808 1.035 0.440 1.000 0.400 CA 1.197 6 residues pruned to eliminate duplicates Z: 67 54.163 2.212 0.858 0.560 0.939 0.697 CB 1.629 67 residues pruned to eliminate duplicates Z: 63 59.309 2.230 0.933 0.605 0.968 0.710 CB 1.634 63 residues pruned to eliminate duplicates Z: 70 56.629 2.220 0.852 0.577 0.971 0.725 CB 1.585 70 residues pruned to eliminate duplicates Z: 65 61.901 2.290 0.888 0.619 0.969 0.766 CB 1.651 65 residues pruned to eliminate duplicates Z: 66 58.892 2.244 0.882 0.598 0.938 0.708 CB 1.680 66 residues pruned to eliminate duplicates Z: 61 56.141 2.247 0.840 0.608 0.933 0.717 CB 1.696 61 residues pruned to eliminate duplicates Z: 66 52.941 2.238 0.768 0.575 0.938 0.631 CB 1.645 66 residues pruned to eliminate duplicates Z: 61 52.098 2.242 0.867 0.605 0.933 0.683 CB 1.558 61 residues pruned to eliminate duplicates Z: 62 52.761 2.230 0.830 0.600 0.918 0.689 CB 1.639 62 residues pruned to eliminate duplicates Z: 61 57.259 2.244 0.852 0.622 0.950 0.633 CB 1.669 61 residues pruned to eliminate duplicates Z: 67 62.745 2.266 0.968 0.592 0.955 0.727 CB 1.662 67 residues pruned to eliminate duplicates Z: 70 61.039 2.257 0.890 0.579 0.986 0.638 CB 1.621 67 residues pruned to eliminate duplicates Z: 15 30.017 2.052 1.077 0.920 0.929 0.643 CB 1.428 15 residues pruned to eliminate duplicates Z: 50 43.429 2.182 0.771 0.588 0.939 0.592 CB 1.572 50 residues pruned to eliminate duplicates Z: 59 54.522 2.205 0.811 0.623 0.966 0.621 CB 1.654 59 residues pruned to eliminate duplicates Z: 65 57.472 2.216 0.919 0.606 0.953 0.594 CB 1.603 65 residues pruned to eliminate duplicates Z: 63 59.455 2.276 0.941 0.596 0.935 0.694 CB 1.667 63 residues pruned to eliminate duplicates Z: 61 58.136 2.298 0.917 0.610 0.917 0.733 CB 1.675 61 residues pruned to eliminate duplicates Z: 54 38.851 2.060 0.714 0.572 0.943 0.566 CB 1.495 54 residues pruned to eliminate duplicates Z: 63 52.790 2.195 0.822 0.594 0.935 0.661 CB 1.639 63 residues pruned to eliminate duplicates Z: 66 57.045 2.239 0.856 0.592 0.954 0.677 CB 1.635 66 residues pruned to eliminate duplicates Z: 60 58.685 2.258 0.880 0.613 0.966 0.729 CB 1.673 60 residues pruned to eliminate duplicates Z: 123 84.913 2.279 0.948 0.593 0.959 0.623 CB 1.651 123 residues pruned to eliminate duplicates Z: 68 61.043 2.252 0.939 0.594 0.940 0.716 CB 1.660 68 residues pruned to eliminate duplicates Z: 125 82.605 2.258 0.935 0.577 0.935 0.629 CB 1.686 125 residues pruned to eliminate duplicates Z: 68 59.496 2.256 0.899 0.582 0.955 0.672 CB 1.641 68 residues pruned to eliminate duplicates Z: 57 59.002 2.242 0.814 0.651 1.000 0.821 CB 1.684 57 residues pruned to eliminate duplicates Z: 61 60.825 2.247 0.911 0.618 0.983 0.750 CB 1.662 61 residues pruned to eliminate duplicates Z: 66 55.593 2.228 0.778 0.591 0.954 0.692 CB 1.673 66 residues pruned to eliminate duplicates Z: 50 47.678 2.208 0.774 0.622 0.959 0.694 CB 1.616 50 residues pruned to eliminate duplicates Z: 62 58.046 2.251 0.835 0.621 0.967 0.721 CB 1.660 62 residues pruned to eliminate duplicates Z: 59 62.409 2.276 0.888 0.657 0.983 0.776 CB 1.676 59 residues pruned to eliminate duplicates Z: 61 60.705 2.254 0.866 0.618 0.983 0.717 CB 1.695 61 residues pruned to eliminate duplicates Z: 62 56.387 2.257 0.840 0.621 0.951 0.721 CB 1.631 62 residues pruned to eliminate duplicates Z: 61 56.796 2.285 0.851 0.607 0.950 0.700 CB 1.647 61 residues pruned to eliminate duplicates Z: 58 57.812 2.246 0.826 0.646 1.000 0.614 CB 1.629 58 residues pruned to eliminate duplicates Z: 60 55.343 2.210 0.818 0.648 0.983 0.712 CB 1.589 60 residues pruned to eliminate duplicates Z: 51 42.670 2.149 0.715 0.619 0.940 0.580 CB 1.557 51 residues pruned to eliminate duplicates Z: 67 59.476 2.262 0.887 0.585 0.955 0.712 CB 1.656 67 residues pruned to eliminate duplicates Z: 59 59.492 2.277 0.915 0.613 0.948 0.655 CB 1.697 59 residues pruned to eliminate duplicates Z: 59 58.069 2.285 0.811 0.644 0.966 0.672 CB 1.668 59 residues pruned to eliminate duplicates Z: 62 57.720 2.240 0.873 0.582 0.984 0.721 CB 1.655 62 residues pruned to eliminate duplicates Z: 61 56.306 2.235 0.873 0.595 0.967 0.650 CB 1.641 61 residues pruned to eliminate duplicates Z: 61 58.163 2.267 0.820 0.617 0.983 0.700 CB 1.657 61 residues pruned to eliminate duplicates Z: 58 61.284 2.286 0.879 0.644 1.000 0.754 CB 1.652 58 residues pruned to eliminate duplicates Z: 62 68.874 2.291 0.963 0.676 0.984 0.770 CB 1.694 62 residues pruned to eliminate duplicates Z: 66 59.312 2.265 0.890 0.592 0.954 0.692 CB 1.649 66 residues pruned to eliminate duplicates Z: 64 62.025 2.287 0.851 0.616 0.984 0.746 CB 1.680 64 residues pruned to eliminate duplicates Z: 92 64.800 2.244 0.986 0.557 0.901 0.681 CB 1.601 92 residues pruned to eliminate duplicates Z: 50 53.826 2.237 0.927 0.611 0.959 0.673 CB 1.675 50 residues pruned to eliminate duplicates Z: 64 69.444 2.355 1.004 0.588 0.968 0.683 CB 1.759 64 residues pruned to eliminate duplicates Z: 61 71.804 2.365 1.037 0.619 0.983 0.717 CB 1.748 61 residues pruned to eliminate duplicates Z: 60 72.990 2.365 1.116 0.612 0.966 0.678 CB 1.768 60 residues pruned to eliminate duplicates Z: 126 88.335 2.314 0.965 0.600 0.944 0.688 CB 1.673 126 residues pruned to eliminate duplicates Z: 60 71.519 2.367 1.031 0.626 0.983 0.746 CB 1.750 60 residues pruned to eliminate duplicates Z: 61 71.504 2.337 1.084 0.616 0.983 0.667 CB 1.728 61 residues pruned to eliminate duplicates Z: 11 19.420 2.294 0.876 0.565 0.800 0.600 CB 1.675 11 residues pruned to eliminate duplicates Z: 24 41.258 2.324 1.202 0.690 0.870 0.652 CB 1.625 24 residues pruned to eliminate duplicates Z: 36 33.491 2.186 0.758 0.619 0.829 0.486 CB 1.589 36 residues pruned to eliminate duplicates Z: 29 32.957 2.173 0.974 0.604 0.857 0.464 CB 1.534 31 residues pruned to eliminate duplicates Z: 6 4.459 1.639 1.226 0.466 0.800 0.800 CA 0.707 6 residues pruned to eliminate duplicates Z: 15 27.850 2.099 1.235 0.660 0.929 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 34 43.837 2.214 1.026 0.689 0.909 0.545 CB 1.573 34 residues pruned to eliminate duplicates Z: 84 66.645 2.252 0.907 0.611 0.928 0.602 CB 1.652 84 residues pruned to eliminate duplicates Z: 39 24.216 1.999 0.713 0.533 0.842 0.368 CB 1.319 39 residues pruned to eliminate duplicates Z: 22 27.047 2.247 1.207 0.580 0.667 0.333 CB 1.653 22 residues pruned to eliminate duplicates Z: 18 35.644 2.296 0.996 0.689 1.000 0.412 CB 1.587 18 residues pruned to eliminate duplicates Z: 16 22.720 2.059 0.880 0.741 0.933 0.533 CB 1.309 16 residues pruned to eliminate duplicates Z: 35 32.463 2.152 0.772 0.554 0.882 0.471 CB 1.570 35 residues pruned to eliminate duplicates Z: 39 29.367 2.032 0.785 0.563 0.842 0.526 CB 1.467 39 residues pruned to eliminate duplicates Z: 27 36.740 2.230 0.825 0.693 0.923 0.462 CB 1.607 27 residues pruned to eliminate duplicates Z: 53 50.808 2.230 0.998 0.590 0.923 0.635 CB 1.572 53 residues pruned to eliminate duplicates Z: 38 36.080 2.101 0.869 0.628 0.919 0.541 CB 1.457 38 residues pruned to eliminate duplicates Z: 47 43.237 2.198 0.989 0.575 0.891 0.674 CB 1.522 47 residues pruned to eliminate duplicates Z: 25 23.007 2.056 0.751 0.621 0.792 0.500 CB 1.470 25 residues pruned to eliminate duplicates Z: 47 30.069 2.118 0.773 0.560 0.804 0.500 CB 1.385 47 residues pruned to eliminate duplicates Z: 37 40.798 2.224 0.923 0.665 0.861 0.667 CB 1.585 37 residues pruned to eliminate duplicates Z: 36 42.881 2.223 1.015 0.690 0.886 0.686 CB 1.536 26 residues pruned to eliminate duplicates Z: 15 31.906 2.039 1.020 0.812 1.000 0.643 CB 1.579 15 residues pruned to eliminate duplicates Z: 36 39.468 2.202 0.944 0.660 0.886 0.543 CB 1.518 36 residues pruned to eliminate duplicates Z: 42 31.422 2.114 0.757 0.603 0.829 0.585 CB 1.444 42 residues pruned to eliminate duplicates Z: 100 76.728 2.277 0.999 0.630 0.929 0.707 CB 1.613 99 residues pruned to eliminate duplicates Z: 11 16.975 1.903 0.729 0.810 0.900 0.400 CA 1.384 11 residues pruned to eliminate duplicates Z: 23 30.284 2.047 0.779 0.823 0.909 0.636 CB 1.475 23 residues pruned to eliminate duplicates Z: 10 25.257 2.082 0.897 0.843 1.000 0.556 CA 1.588 11 residues pruned to eliminate duplicates Z: 23 30.472 2.081 0.852 0.779 0.909 0.591 CB 1.450 23 residues pruned to eliminate duplicates Z: 10 19.115 2.197 0.564 0.746 0.889 0.667 CB 1.674 10 residues pruned to eliminate duplicates Z: 18 15.269 1.992 0.595 0.574 0.824 0.588 CB 1.318 10 residues pruned to eliminate duplicates 450 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 25 D: 142 E: 7 F: 7 G: 72 H: 14 I: 66 J: 102 CC for partial structure against native data = 36.23 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.445, Connect. = 0.716 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.612, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.619, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.628, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.631, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4348 peaks > 0.5 sigma used to seed fragment search Space for about 746 unique residues taking solvent into account 873 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 69 57.077 2.218 0.810 0.585 0.971 0.662 CB 1.637 B: 72 65.197 2.332 0.975 0.541 0.944 0.620 CB 1.710 C: 125 92.805 2.324 0.935 0.597 0.960 0.669 CB 1.760 D: 65 60.520 2.291 0.792 0.577 0.953 0.719 CB 1.795 65 residues pruned to eliminate duplicates E: 66 61.908 2.288 0.843 0.585 0.954 0.723 CB 1.759 66 residues pruned to eliminate duplicates F: 70 55.757 2.256 0.841 0.569 0.971 0.681 CB 1.556 71 residues pruned to eliminate duplicates G: 69 64.187 2.290 0.887 0.579 0.971 0.750 CB 1.720 62 residues pruned to eliminate duplicates H: 61 56.923 2.289 0.795 0.603 0.950 0.717 CB 1.707 61 residues pruned to eliminate duplicates I: 76 62.813 2.271 1.011 0.529 0.960 0.680 CB 1.607 77 residues pruned to eliminate duplicates J: 70 59.228 2.285 0.861 0.570 0.928 0.652 CB 1.689 68 residues pruned to eliminate duplicates K: 66 69.264 2.343 0.982 0.629 0.938 0.708 CA 1.746 55 residues pruned to eliminate duplicates L: 81 67.661 2.291 0.866 0.575 0.963 0.725 CB 1.710 73 residues pruned to eliminate duplicates M: 56 65.234 2.379 0.886 0.632 0.964 0.691 CA 1.797 56 residues pruned to eliminate duplicates N: 74 72.022 2.333 0.932 0.605 0.973 0.658 CB 1.739 74 residues pruned to eliminate duplicates O: 64 66.534 2.398 0.854 0.594 0.968 0.667 CB 1.779 64 residues pruned to eliminate duplicates P: 60 59.628 2.278 0.856 0.601 0.983 0.729 CB 1.697 60 residues pruned to eliminate duplicates Q: 63 61.609 2.291 0.894 0.585 0.935 0.629 CB 1.777 63 residues pruned to eliminate duplicates R: 62 57.062 2.241 0.783 0.615 0.984 0.705 CB 1.668 62 residues pruned to eliminate duplicates S: 16 30.898 2.300 0.727 0.836 0.933 0.667 CA 1.609 16 residues pruned to eliminate duplicates T: 6 10.706 2.156 0.439 0.865 1.000 0.800 CA 1.130 6 residues pruned to eliminate duplicates U: 6 8.862 2.058 0.588 0.683 0.800 0.800 CB 1.281 6 residues pruned to eliminate duplicates V: 59 62.414 2.292 0.887 0.633 1.000 0.741 CB 1.673 59 residues pruned to eliminate duplicates W: 13 31.715 2.243 0.892 0.835 1.000 0.750 CA 1.616 X: 60 54.567 2.256 0.756 0.627 0.966 0.695 CB 1.646 60 residues pruned to eliminate duplicates Y: 17 25.715 2.049 0.554 0.898 0.938 0.688 CA 1.539 17 residues pruned to eliminate duplicates Z: 15 29.721 2.217 1.013 0.785 0.929 0.786 CB 1.492 Z: 69 53.101 2.183 0.928 0.566 0.956 0.662 CB 1.500 Z: 63 59.032 2.262 0.810 0.572 0.968 0.661 CB 1.765 63 residues pruned to eliminate duplicates Z: 55 72.128 2.400 0.958 0.665 1.000 0.778 CA 1.793 55 residues pruned to eliminate duplicates Z: 15 28.268 2.363 0.483 0.834 0.929 0.714 CA 1.742 15 residues pruned to eliminate duplicates Z: 65 73.600 2.349 1.038 0.615 0.984 0.750 CA 1.751 65 residues pruned to eliminate duplicates Z: 66 67.117 2.358 0.961 0.600 0.954 0.723 CB 1.716 66 residues pruned to eliminate duplicates Z: 34 40.111 2.168 0.996 0.702 0.848 0.515 CB 1.582 11 residues pruned to eliminate duplicates Z: 16 23.540 2.108 0.338 0.918 1.000 0.867 CA 1.519 16 residues pruned to eliminate duplicates Z: 80 74.403 2.333 1.036 0.594 0.937 0.646 CB 1.721 77 residues pruned to eliminate duplicates Z: 43 43.990 2.099 1.036 0.629 0.905 0.571 CB 1.555 13 residues pruned to eliminate duplicates Z: 64 70.931 2.381 0.986 0.603 0.968 0.762 CB 1.769 64 residues pruned to eliminate duplicates Z: 16 33.043 2.074 0.945 0.865 1.000 0.800 CA 1.550 16 residues pruned to eliminate duplicates Z: 41 40.125 2.197 0.915 0.617 0.875 0.625 CB 1.542 34 residues pruned to eliminate duplicates Z: 42 31.331 2.006 0.961 0.550 0.854 0.659 CB 1.387 50 residues pruned to eliminate duplicates Z: 64 55.276 2.242 0.777 0.564 0.952 0.651 CB 1.724 64 residues pruned to eliminate duplicates Z: 12 23.189 2.145 1.196 0.612 0.818 0.636 CB 1.631 11 residues pruned to eliminate duplicates Z: 17 20.175 1.998 0.271 0.867 1.000 0.875 CA 1.453 17 residues pruned to eliminate duplicates Z: 16 30.482 2.253 0.786 0.552 1.000 0.800 CA 1.858 16 residues pruned to eliminate duplicates Z: 15 26.417 2.237 0.528 0.835 0.929 0.571 CA 1.666 15 residues pruned to eliminate duplicates Z: 66 58.097 2.291 0.835 0.603 0.938 0.738 CB 1.656 66 residues pruned to eliminate duplicates Z: 19 20.470 2.046 0.969 0.573 0.833 0.722 CB 1.339 19 residues pruned to eliminate duplicates Z: 66 66.897 2.333 0.878 0.577 0.985 0.708 CB 1.786 66 residues pruned to eliminate duplicates Z: 60 60.693 2.292 0.835 0.605 0.949 0.712 CA 1.791 60 residues pruned to eliminate duplicates Z: 56 63.287 2.370 0.917 0.632 0.945 0.745 CB 1.755 56 residues pruned to eliminate duplicates Z: 16 25.904 2.078 0.785 0.781 0.933 0.733 CA 1.508 16 residues pruned to eliminate duplicates Z: 59 50.705 2.251 0.779 0.611 0.966 0.759 CB 1.550 59 residues pruned to eliminate duplicates Z: 125 85.911 2.318 0.936 0.598 0.952 0.677 CB 1.646 166 residues pruned to eliminate duplicates Z: 18 21.523 2.226 1.423 0.532 0.706 0.588 CB 1.329 Z: 10 28.770 1.991 1.412 0.783 1.000 0.889 CA 1.556 10 residues pruned to eliminate duplicates Z: 10 24.908 2.030 1.778 0.718 0.889 0.778 CB 1.360 10 residues pruned to eliminate duplicates Z: 62 69.837 2.356 1.017 0.600 0.967 0.689 CB 1.769 61 residues pruned to eliminate duplicates Z: 13 30.008 2.278 1.325 0.778 0.833 0.833 CB 1.536 17 residues pruned to eliminate duplicates Z: 55 60.534 2.268 0.992 0.676 1.000 0.815 CB 1.550 55 residues pruned to eliminate duplicates Z: 17 16.866 1.838 1.053 0.458 0.812 0.562 C 1.435 Z: 12 29.523 2.052 1.671 0.718 0.909 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 60 58.177 2.284 0.868 0.619 0.966 0.712 CB 1.642 60 residues pruned to eliminate duplicates Z: 62 56.884 2.271 0.787 0.602 0.967 0.738 CB 1.685 62 residues pruned to eliminate duplicates Z: 70 61.284 2.264 0.838 0.560 0.971 0.710 CB 1.723 70 residues pruned to eliminate duplicates Z: 14 36.472 2.198 0.977 0.923 1.000 0.923 CA 1.636 14 residues pruned to eliminate duplicates Z: 17 21.956 2.064 0.704 0.786 0.812 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 15 22.276 2.091 1.197 0.630 0.786 0.714 CB 1.459 15 residues pruned to eliminate duplicates Z: 17 21.409 2.019 0.318 0.875 1.000 0.750 CA 1.463 17 residues pruned to eliminate duplicates Z: 14 34.870 2.203 0.987 0.911 1.000 0.769 CB 1.566 14 residues pruned to eliminate duplicates Z: 34 44.877 2.165 1.014 0.705 0.939 0.545 CB 1.583 14 residues pruned to eliminate duplicates Z: 12 22.299 2.193 0.669 0.739 0.909 0.545 CB 1.631 12 residues pruned to eliminate duplicates Z: 59 52.921 2.241 0.898 0.641 0.948 0.793 CB 1.510 59 residues pruned to eliminate duplicates Z: 17 24.988 2.240 0.564 0.726 0.875 0.438 CB 1.662 17 residues pruned to eliminate duplicates Z: 56 65.668 2.369 0.936 0.641 1.000 0.709 CA 1.692 56 residues pruned to eliminate duplicates Z: 60 68.996 2.293 0.967 0.635 0.983 0.729 CA 1.785 60 residues pruned to eliminate duplicates Z: 14 34.796 2.178 0.947 0.886 1.000 0.615 CA 1.642 14 residues pruned to eliminate duplicates Z: 36 41.496 2.311 0.850 0.583 0.914 0.800 CB 1.657 36 residues pruned to eliminate duplicates Z: 60 73.514 2.378 1.088 0.608 0.983 0.661 CB 1.770 60 residues pruned to eliminate duplicates Z: 15 28.160 2.105 0.707 0.880 1.000 0.500 CB 1.517 15 residues pruned to eliminate duplicates Z: 65 68.926 2.366 0.965 0.579 0.984 0.688 CB 1.745 65 residues pruned to eliminate duplicates Z: 59 66.062 2.299 1.044 0.647 0.966 0.672 CA 1.667 59 residues pruned to eliminate duplicates Z: 64 56.990 2.269 0.887 0.604 0.968 0.698 CB 1.569 64 residues pruned to eliminate duplicates Z: 14 19.683 2.071 0.585 0.767 0.846 0.538 CA 1.552 14 residues pruned to eliminate duplicates Z: 18 23.236 2.056 0.544 0.736 0.941 0.647 CA 1.526 18 residues pruned to eliminate duplicates Z: 16 18.023 2.074 0.083 0.931 0.933 0.867 CA 1.551 16 residues pruned to eliminate duplicates Z: 18 17.817 2.016 0.245 0.778 0.882 0.588 CA 1.527 18 residues pruned to eliminate duplicates Z: 15 33.088 2.400 0.617 0.823 0.929 0.714 CA 1.855 15 residues pruned to eliminate duplicates Z: 92 77.426 2.309 0.991 0.605 0.934 0.703 CB 1.709 92 residues pruned to eliminate duplicates Z: 70 70.221 2.311 1.042 0.626 0.942 0.681 CB 1.688 70 residues pruned to eliminate duplicates Z: 15 32.407 2.361 0.771 0.773 0.929 0.500 CA 1.753 15 residues pruned to eliminate duplicates Z: 16 29.692 2.306 0.693 0.737 0.933 0.667 CB 1.701 16 residues pruned to eliminate duplicates Z: 67 61.369 2.273 0.911 0.609 0.939 0.697 CB 1.669 67 residues pruned to eliminate duplicates Z: 66 62.465 2.320 0.976 0.587 0.938 0.662 CB 1.658 66 residues pruned to eliminate duplicates Z: 16 36.291 2.155 0.958 0.908 1.000 0.867 CB 1.577 16 residues pruned to eliminate duplicates Z: 66 56.464 2.251 0.854 0.553 0.923 0.662 CB 1.726 66 residues pruned to eliminate duplicates Z: 10 23.689 2.315 0.833 0.829 0.778 0.667 CB 1.800 10 residues pruned to eliminate duplicates Z: 64 61.637 2.381 0.810 0.588 0.937 0.667 CB 1.769 64 residues pruned to eliminate duplicates Z: 13 18.752 1.920 1.015 0.674 0.917 0.667 CB 1.300 Z: 6 8.694 2.201 1.164 0.381 0.600 0.400 CB 1.544 6 residues pruned to eliminate duplicates Z: 15 24.833 2.128 0.423 0.911 1.000 0.857 CA 1.553 15 residues pruned to eliminate duplicates Z: 15 30.898 2.295 0.684 0.794 1.000 0.571 CA 1.651 15 residues pruned to eliminate duplicates Z: 66 67.087 2.351 0.988 0.587 0.938 0.631 CB 1.746 66 residues pruned to eliminate duplicates Z: 17 20.315 2.073 0.249 0.785 1.000 0.688 CA 1.527 17 residues pruned to eliminate duplicates Z: 14 33.122 2.114 1.046 0.862 1.000 0.615 CB 1.559 14 residues pruned to eliminate duplicates Z: 14 25.849 2.226 1.205 0.600 0.846 0.846 CA 1.569 13 residues pruned to eliminate duplicates Z: 30 47.950 2.321 1.129 0.654 0.931 0.586 CB 1.677 41 residues pruned to eliminate duplicates Z: 52 52.654 2.289 0.891 0.609 0.922 0.627 CB 1.668 52 residues pruned to eliminate duplicates Z: 61 54.215 2.256 0.795 0.614 0.950 0.700 CB 1.633 61 residues pruned to eliminate duplicates Z: 70 53.639 2.194 0.881 0.577 0.942 0.623 CB 1.542 70 residues pruned to eliminate duplicates Z: 16 20.793 1.881 0.609 0.765 1.000 0.533 CA 1.403 16 residues pruned to eliminate duplicates Z: 10 16.943 1.944 0.789 0.845 0.889 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 59 69.464 2.361 0.977 0.624 0.966 0.690 CB 1.801 59 residues pruned to eliminate duplicates Z: 63 68.417 2.335 0.943 0.610 0.968 0.661 CB 1.783 63 residues pruned to eliminate duplicates Z: 16 32.094 2.001 1.100 0.828 1.000 0.600 CA 1.485 16 residues pruned to eliminate duplicates Z: 43 30.731 1.980 0.801 0.607 0.881 0.452 CB 1.364 21 residues pruned to eliminate duplicates Z: 65 65.498 2.295 0.965 0.600 0.938 0.719 CB 1.760 65 residues pruned to eliminate duplicates Z: 13 26.236 2.047 0.864 0.904 1.000 1.000 CB 1.414 13 residues pruned to eliminate duplicates Z: 63 62.221 2.267 0.940 0.584 0.952 0.629 CB 1.741 63 residues pruned to eliminate duplicates Z: 13 12.990 1.964 0.271 0.808 0.833 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 65 67.576 2.369 0.869 0.587 0.969 0.734 CA 1.812 65 residues pruned to eliminate duplicates Z: 11 16.740 1.921 0.840 0.732 0.800 0.400 CA 1.520 Z: 17 26.751 2.161 0.806 0.763 0.875 0.375 CA 1.551 17 residues pruned to eliminate duplicates Z: 17 22.773 2.166 0.662 0.743 0.812 0.500 CA 1.566 17 residues pruned to eliminate duplicates Z: 60 53.149 2.236 0.897 0.637 0.966 0.780 CB 1.485 60 residues pruned to eliminate duplicates Z: 15 20.493 2.170 0.404 0.783 0.857 0.643 CB 1.635 15 residues pruned to eliminate duplicates Z: 15 23.665 2.195 0.351 0.902 1.000 0.857 CB 1.521 15 residues pruned to eliminate duplicates Z: 15 29.393 2.122 0.737 0.933 1.000 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 66 57.289 2.201 0.910 0.621 0.969 0.769 CB 1.555 66 residues pruned to eliminate duplicates Z: 14 30.028 2.138 0.723 0.899 1.000 0.846 CA 1.616 14 residues pruned to eliminate duplicates Z: 65 68.779 2.349 0.944 0.599 0.969 0.703 CB 1.768 65 residues pruned to eliminate duplicates Z: 29 35.175 2.151 0.905 0.520 0.964 0.571 CB 1.650 46 residues pruned to eliminate duplicates Z: 28 44.370 2.275 1.049 0.710 0.963 0.667 CA 1.572 28 residues pruned to eliminate duplicates Z: 14 25.432 2.046 0.804 0.809 0.923 0.769 CB 1.582 14 residues pruned to eliminate duplicates Z: 41 37.796 2.171 1.014 0.604 0.850 0.425 CB 1.458 34 residues pruned to eliminate duplicates Z: 63 69.885 2.385 0.963 0.617 0.968 0.758 CB 1.754 105 residues pruned to eliminate duplicates Z: 13 24.164 2.117 1.089 0.593 0.917 0.667 CB 1.574 Z: 12 22.025 2.199 0.658 0.832 0.818 0.455 CB 1.671 12 residues pruned to eliminate duplicates Z: 67 54.655 2.254 0.819 0.585 0.939 0.712 CB 1.609 67 residues pruned to eliminate duplicates Z: 14 41.870 2.249 1.105 0.911 1.000 1.000 CB 1.739 14 residues pruned to eliminate duplicates Z: 81 81.381 2.368 0.973 0.651 0.963 0.675 CB 1.757 81 residues pruned to eliminate duplicates Z: 71 54.760 2.190 0.784 0.527 0.957 0.629 CA 1.704 71 residues pruned to eliminate duplicates Z: 65 66.977 2.275 0.979 0.587 0.969 0.766 CB 1.766 65 residues pruned to eliminate duplicates Z: 14 24.792 2.170 0.444 0.942 1.000 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 14 22.544 2.203 0.279 0.928 1.000 1.000 CB 1.554 14 residues pruned to eliminate duplicates Z: 15 34.584 2.178 0.857 0.934 1.000 0.857 CB 1.594 15 residues pruned to eliminate duplicates Z: 16 24.427 2.041 0.538 0.922 1.000 1.000 CA 1.413 16 residues pruned to eliminate duplicates Z: 19 23.921 2.095 0.638 0.543 1.000 0.500 CB 1.576 19 residues pruned to eliminate duplicates Z: 16 21.237 2.168 0.329 0.820 0.933 0.600 CA 1.544 16 residues pruned to eliminate duplicates Z: 66 58.915 2.236 0.938 0.629 0.954 0.754 CB 1.566 66 residues pruned to eliminate duplicates Z: 79 61.512 2.289 0.851 0.532 0.923 0.590 CB 1.726 79 residues pruned to eliminate duplicates Z: 17 25.920 2.171 0.774 0.864 0.938 0.750 CA 1.316 17 residues pruned to eliminate duplicates Z: 62 69.898 2.368 0.953 0.616 0.984 0.738 CB 1.763 62 residues pruned to eliminate duplicates Z: 56 48.647 2.244 0.765 0.631 0.964 0.764 CB 1.520 56 residues pruned to eliminate duplicates Z: 15 27.043 2.068 0.919 0.943 1.000 0.929 CB 1.262 15 residues pruned to eliminate duplicates Z: 15 34.891 2.061 0.936 0.899 1.000 0.786 CB 1.670 15 residues pruned to eliminate duplicates Z: 18 23.536 1.944 0.505 0.902 0.941 0.706 CA 1.478 18 residues pruned to eliminate duplicates Z: 14 25.702 1.889 1.000 0.871 1.000 0.846 CB 1.376 Z: 16 33.771 2.272 1.046 0.900 0.933 0.600 CA 1.435 16 residues pruned to eliminate duplicates Z: 15 29.771 1.969 0.975 0.890 1.000 0.857 CA 1.473 Z: 16 20.092 2.044 0.243 0.912 1.000 0.867 CB 1.446 16 residues pruned to eliminate duplicates Z: 15 26.329 2.009 0.932 0.839 1.000 0.786 CB 1.354 16 residues pruned to eliminate duplicates Z: 14 26.008 2.172 0.492 0.923 1.000 0.769 CB 1.564 14 residues pruned to eliminate duplicates Z: 13 30.561 2.231 0.964 0.862 1.000 0.333 CB 1.478 13 residues pruned to eliminate duplicates Z: 67 62.237 2.274 0.947 0.573 0.939 0.667 CB 1.717 67 residues pruned to eliminate duplicates Z: 6 2.488 1.724 -0.102 0.680 0.600 0.600 CB 1.015 6 residues pruned to eliminate duplicates Z: 14 26.707 2.050 1.488 0.643 0.846 0.692 CB 1.502 14 residues pruned to eliminate duplicates Z: 27 37.850 2.238 1.123 0.693 0.808 0.500 CB 1.622 28 residues pruned to eliminate duplicates Z: 65 67.519 2.361 0.981 0.587 0.953 0.703 CA 1.741 65 residues pruned to eliminate duplicates Z: 13 29.497 2.156 0.843 0.903 1.000 0.917 CA 1.527 13 residues pruned to eliminate duplicates Z: 84 73.495 2.316 0.997 0.617 0.940 0.614 CB 1.663 84 residues pruned to eliminate duplicates Z: 17 27.222 2.047 0.675 0.876 0.938 0.688 CB 1.539 17 residues pruned to eliminate duplicates Z: 56 49.599 2.175 0.811 0.659 0.982 0.836 CB 1.493 56 residues pruned to eliminate duplicates Z: 15 30.688 2.110 0.889 0.924 1.000 0.786 CB 1.445 15 residues pruned to eliminate duplicates Z: 12 31.776 2.190 1.504 0.779 0.909 0.818 CB 1.502 12 residues pruned to eliminate duplicates Z: 15 32.670 2.149 1.051 0.898 1.000 0.786 CB 1.417 13 residues pruned to eliminate duplicates Z: 59 59.488 2.279 0.825 0.622 0.983 0.759 CB 1.703 59 residues pruned to eliminate duplicates Z: 64 58.900 2.278 0.972 0.611 0.937 0.746 CB 1.587 64 residues pruned to eliminate duplicates Z: 14 29.524 2.117 0.806 0.878 1.000 0.615 CB 1.554 14 residues pruned to eliminate duplicates Z: 59 52.400 2.242 0.755 0.637 0.983 0.724 CB 1.565 59 residues pruned to eliminate duplicates Z: 11 27.474 2.019 1.428 0.697 1.000 0.900 CB 1.480 Z: 65 68.035 2.343 0.955 0.601 0.953 0.672 CB 1.768 65 residues pruned to eliminate duplicates Z: 13 25.542 2.180 0.563 0.847 1.000 0.833 CB 1.607 13 residues pruned to eliminate duplicates Z: 13 10.559 1.821 -0.018 0.874 0.917 0.750 CB 1.354 13 residues pruned to eliminate duplicates Z: 76 51.536 2.177 0.865 0.545 0.907 0.693 CB 1.548 76 residues pruned to eliminate duplicates Z: 15 22.720 2.260 0.536 0.767 0.786 0.429 CA 1.758 15 residues pruned to eliminate duplicates Z: 16 24.768 2.084 0.624 0.906 0.933 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 15 26.212 2.312 0.402 0.812 0.929 0.571 CA 1.773 15 residues pruned to eliminate duplicates Z: 15 34.212 2.248 1.032 0.924 0.929 0.786 CA 1.513 15 residues pruned to eliminate duplicates Z: 65 66.480 2.347 1.002 0.593 0.922 0.641 CB 1.756 65 residues pruned to eliminate duplicates Z: 17 20.012 2.058 0.291 0.822 0.875 0.750 CA 1.628 17 residues pruned to eliminate duplicates Z: 64 58.850 2.269 0.929 0.613 0.952 0.714 CB 1.598 64 residues pruned to eliminate duplicates Z: 14 22.293 1.943 0.799 0.864 1.000 0.923 CB 1.297 14 residues pruned to eliminate duplicates Z: 26 41.694 2.104 1.340 0.738 0.960 0.520 CB 1.426 25 residues pruned to eliminate duplicates Z: 16 24.098 2.133 0.413 0.839 0.933 0.600 CA 1.652 16 residues pruned to eliminate duplicates Z: 12 16.077 1.869 0.534 0.782 1.000 0.818 CB 1.318 12 residues pruned to eliminate duplicates Z: 14 28.899 2.116 0.839 0.855 1.000 0.769 CA 1.521 14 residues pruned to eliminate duplicates Z: 14 20.983 1.849 0.997 0.855 0.923 0.538 CA 1.259 14 residues pruned to eliminate duplicates Z: 16 36.938 2.196 1.224 0.883 1.000 0.667 CA 1.413 16 residues pruned to eliminate duplicates Z: 14 22.188 1.917 0.899 0.683 0.923 0.769 CB 1.549 12 residues pruned to eliminate duplicates Z: 55 69.668 2.406 0.908 0.672 0.981 0.796 CA 1.795 55 residues pruned to eliminate duplicates Z: 41 41.997 2.166 0.809 0.635 0.950 0.750 CB 1.572 41 residues pruned to eliminate duplicates Z: 15 31.250 2.155 0.654 0.924 1.000 0.929 CA 1.646 15 residues pruned to eliminate duplicates Z: 36 32.497 2.066 0.818 0.682 0.886 0.600 CB 1.396 36 residues pruned to eliminate duplicates Z: 18 19.617 1.953 0.434 0.772 0.941 0.765 CB 1.419 18 residues pruned to eliminate duplicates Z: 15 37.926 2.292 1.067 0.876 1.000 0.786 CA 1.554 15 residues pruned to eliminate duplicates Z: 14 23.206 2.001 0.849 0.866 1.000 0.923 CB 1.274 14 residues pruned to eliminate duplicates Z: 73 54.278 2.232 0.817 0.555 0.889 0.653 CB 1.682 73 residues pruned to eliminate duplicates Z: 15 21.705 1.811 0.728 0.876 1.000 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 10 15.998 2.115 0.689 0.784 0.889 0.556 CA 1.308 10 residues pruned to eliminate duplicates Z: 16 22.715 2.088 0.473 0.896 0.867 0.600 CA 1.576 16 residues pruned to eliminate duplicates Z: 16 33.813 2.240 0.917 0.885 1.000 0.867 CA 1.467 16 residues pruned to eliminate duplicates Z: 13 21.821 2.084 0.586 0.824 0.917 0.417 CA 1.571 13 residues pruned to eliminate duplicates Z: 17 28.439 2.016 0.704 0.912 1.000 0.812 CB 1.466 17 residues pruned to eliminate duplicates Z: 15 21.520 2.175 0.798 0.549 0.857 0.500 CB 1.635 15 residues pruned to eliminate duplicates Z: 65 54.601 2.257 0.720 0.576 0.938 0.625 CB 1.744 65 residues pruned to eliminate duplicates Z: 12 19.820 2.263 0.462 0.780 0.818 0.545 CB 1.724 12 residues pruned to eliminate duplicates Z: 14 34.178 2.116 1.039 0.898 1.000 0.692 CB 1.572 15 residues pruned to eliminate duplicates Z: 22 36.354 2.125 0.940 0.779 0.952 0.571 CB 1.580 13 residues pruned to eliminate duplicates Z: 55 73.109 2.403 1.028 0.675 0.981 0.796 CA 1.770 55 residues pruned to eliminate duplicates Z: 15 22.049 2.129 0.658 0.758 0.857 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 17 28.750 2.232 0.838 0.562 0.938 0.812 CB 1.760 17 residues pruned to eliminate duplicates Z: 36 33.565 2.060 0.863 0.634 0.886 0.543 CB 1.471 26 residues pruned to eliminate duplicates Z: 66 55.325 2.270 0.802 0.575 0.938 0.692 CB 1.663 66 residues pruned to eliminate duplicates Z: 15 30.842 2.096 0.805 0.906 1.000 0.714 CA 1.550 15 residues pruned to eliminate duplicates Z: 15 21.272 2.135 0.583 0.809 1.000 0.571 CB 1.284 15 residues pruned to eliminate duplicates Z: 15 26.901 2.101 0.724 0.897 1.000 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 57 68.401 2.349 0.951 0.660 0.982 0.750 CA 1.751 57 residues pruned to eliminate duplicates Z: 94 81.863 2.328 1.083 0.591 0.968 0.613 CB 1.657 94 residues pruned to eliminate duplicates Z: 17 22.634 2.072 1.018 0.513 0.875 0.500 CA 1.528 17 residues pruned to eliminate duplicates Z: 24 27.098 1.923 0.936 0.797 0.826 0.435 CB 1.417 24 residues pruned to eliminate duplicates Z: 8 20.380 2.064 0.856 0.794 1.000 0.429 CB 1.554 8 residues pruned to eliminate duplicates Z: 12 27.871 2.107 0.913 0.891 1.000 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 65 67.368 2.368 0.953 0.617 0.938 0.734 CA 1.739 65 residues pruned to eliminate duplicates Z: 11 17.257 1.956 1.202 0.770 0.900 0.400 CB 1.108 10 residues pruned to eliminate duplicates Z: 12 11.501 1.833 0.469 0.835 1.000 0.818 CB 0.965 12 residues pruned to eliminate duplicates Z: 12 27.606 2.080 1.322 0.650 0.909 0.727 CB 1.649 12 residues pruned to eliminate duplicates Z: 15 38.353 2.148 1.144 0.897 1.000 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 42 53.017 2.199 0.825 0.693 0.976 0.659 CA 1.773 42 residues pruned to eliminate duplicates Z: 16 25.372 2.168 0.583 0.702 0.933 0.667 CA 1.701 16 residues pruned to eliminate duplicates Z: 23 38.813 2.105 0.920 0.845 0.955 0.818 CA 1.595 28 residues pruned to eliminate duplicates Z: 57 72.320 2.373 0.986 0.661 0.982 0.714 CA 1.799 57 residues pruned to eliminate duplicates Z: 14 25.956 1.938 0.966 0.825 0.923 0.846 CB 1.545 14 residues pruned to eliminate duplicates Z: 25 26.787 2.021 0.866 0.794 0.792 0.542 CB 1.415 25 residues pruned to eliminate duplicates Z: 14 23.875 1.948 1.037 0.840 0.923 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 62 55.609 2.326 0.932 0.534 0.902 0.557 CB 1.699 62 residues pruned to eliminate duplicates Z: 16 35.173 2.063 0.962 0.909 1.000 0.667 CA 1.592 16 residues pruned to eliminate duplicates Z: 67 64.270 2.327 0.957 0.575 0.939 0.697 CB 1.721 67 residues pruned to eliminate duplicates Z: 14 30.046 2.145 0.876 0.896 1.000 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 11 12.789 1.807 0.426 0.869 0.900 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 51 53.439 2.250 0.831 0.610 0.980 0.660 CB 1.687 51 residues pruned to eliminate duplicates Z: 14 30.305 2.207 0.745 0.947 1.000 1.000 CB 1.508 14 residues pruned to eliminate duplicates Z: 14 28.172 2.187 0.674 0.935 1.000 1.000 CB 1.486 14 residues pruned to eliminate duplicates Z: 79 61.746 2.261 0.967 0.604 0.885 0.628 CB 1.610 79 residues pruned to eliminate duplicates Z: 17 20.375 1.974 0.663 0.877 0.938 0.750 CB 1.201 17 residues pruned to eliminate duplicates Z: 11 18.736 2.037 0.563 0.851 0.900 0.700 CA 1.530 11 residues pruned to eliminate duplicates Z: 41 63.433 2.414 1.008 0.730 0.975 0.825 CA 1.725 41 residues pruned to eliminate duplicates Z: 13 19.456 1.968 1.231 0.522 0.917 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 8 3.578 1.969 0.228 0.288 0.571 0.429 CB 1.242 8 residues pruned to eliminate duplicates Z: 15 34.007 2.240 1.015 0.936 1.000 0.857 CA 1.402 15 residues pruned to eliminate duplicates Z: 14 32.465 2.198 0.628 0.941 1.000 0.692 CA 1.747 14 residues pruned to eliminate duplicates Z: 68 53.292 2.235 0.787 0.557 0.940 0.672 CB 1.640 68 residues pruned to eliminate duplicates Z: 15 32.148 2.099 0.956 0.887 1.000 0.643 CB 1.509 15 residues pruned to eliminate duplicates Z: 63 53.119 2.206 0.767 0.619 0.935 0.629 CB 1.652 63 residues pruned to eliminate duplicates Z: 12 14.867 1.850 0.513 0.778 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 64 66.531 2.368 0.928 0.583 0.968 0.667 CB 1.750 65 residues pruned to eliminate duplicates Z: 56 48.714 2.245 0.777 0.621 0.945 0.709 CB 1.553 56 residues pruned to eliminate duplicates Z: 32 41.455 2.253 0.926 0.631 0.903 0.710 CB 1.679 32 residues pruned to eliminate duplicates Z: 14 21.024 1.899 0.820 0.877 0.923 0.692 CB 1.328 14 residues pruned to eliminate duplicates Z: 19 13.660 1.871 0.766 0.493 0.889 0.556 CB 1.104 20 residues pruned to eliminate duplicates Z: 18 23.758 2.118 1.061 0.609 0.824 0.529 CB 1.445 18 residues pruned to eliminate duplicates Z: 15 14.788 2.010 0.117 0.919 0.929 0.929 CB 1.336 15 residues pruned to eliminate duplicates Z: 15 21.798 2.126 0.680 0.759 0.929 0.643 CB 1.395 15 residues pruned to eliminate duplicates Z: 20 22.048 2.143 1.024 0.584 0.842 0.421 CB 1.277 20 residues pruned to eliminate duplicates Z: 18 25.707 2.187 0.929 0.522 0.941 0.765 CB 1.536 18 residues pruned to eliminate duplicates Z: 41 64.291 2.407 1.033 0.727 1.000 0.750 CA 1.694 41 residues pruned to eliminate duplicates Z: 62 54.374 2.270 0.796 0.610 0.967 0.738 CB 1.590 62 residues pruned to eliminate duplicates Z: 40 24.618 1.935 0.909 0.451 0.821 0.564 CB 1.367 40 residues pruned to eliminate duplicates Z: 14 28.317 1.896 1.365 0.883 1.000 0.846 CB 1.267 14 residues pruned to eliminate duplicates Z: 9 14.595 1.902 0.768 0.844 1.000 0.750 CB 1.141 9 residues pruned to eliminate duplicates Z: 38 28.893 2.037 0.865 0.596 0.865 0.568 CB 1.319 38 residues pruned to eliminate duplicates Z: 14 23.910 1.922 0.892 0.877 1.000 0.615 CB 1.325 14 residues pruned to eliminate duplicates Z: 16 24.110 2.035 0.622 0.918 1.000 0.733 CB 1.330 16 residues pruned to eliminate duplicates Z: 13 19.195 2.058 0.996 0.590 0.833 0.417 CA 1.485 13 residues pruned to eliminate duplicates Z: 12 22.389 2.044 1.257 0.641 0.909 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 13 17.154 1.969 0.598 0.788 0.833 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 13 19.691 1.999 0.705 0.842 0.917 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 61 50.739 2.245 0.752 0.608 0.950 0.683 CB 1.581 61 residues pruned to eliminate duplicates Z: 70 46.572 2.114 0.668 0.594 0.928 0.667 CB 1.567 70 residues pruned to eliminate duplicates Z: 9 14.758 2.079 0.390 0.858 0.875 0.500 CA 1.520 9 residues pruned to eliminate duplicates Z: 16 27.446 2.049 0.854 0.917 1.000 0.867 CB 1.317 16 residues pruned to eliminate duplicates Z: 71 58.354 2.263 0.835 0.568 0.943 0.629 CB 1.668 71 residues pruned to eliminate duplicates Z: 56 68.613 2.357 0.885 0.669 1.000 0.764 CA 1.781 56 residues pruned to eliminate duplicates Z: 67 63.259 2.340 0.933 0.569 0.939 0.621 CB 1.714 67 residues pruned to eliminate duplicates Z: 15 30.747 2.087 0.862 0.921 1.000 0.929 CB 1.488 15 residues pruned to eliminate duplicates Z: 62 57.469 2.273 0.919 0.596 0.951 0.738 CB 1.618 62 residues pruned to eliminate duplicates Z: 49 41.189 2.128 0.834 0.625 0.896 0.708 CB 1.512 49 residues pruned to eliminate duplicates Z: 12 16.435 2.117 0.223 0.854 0.909 0.636 CA 1.555 12 residues pruned to eliminate duplicates Z: 12 24.997 2.186 0.531 0.877 1.000 0.727 CA 1.635 12 residues pruned to eliminate duplicates Z: 16 22.649 2.053 0.659 0.750 0.933 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 16 19.335 2.007 0.350 0.929 1.000 0.933 CB 1.290 16 residues pruned to eliminate duplicates Z: 58 47.436 2.100 1.102 0.598 0.895 0.649 CB 1.449 58 residues pruned to eliminate duplicates Z: 50 56.027 2.267 0.939 0.630 0.939 0.653 CA 1.715 50 residues pruned to eliminate duplicates Z: 13 25.597 2.060 1.321 0.675 0.917 0.833 CB 1.435 13 residues pruned to eliminate duplicates Z: 6 5.222 1.646 0.261 0.589 0.800 0.600 C 1.292 Z: 10 13.674 1.803 0.512 0.810 0.889 0.556 CA 1.436 10 residues pruned to eliminate duplicates Z: 14 20.669 1.919 0.696 0.882 1.000 0.692 CB 1.275 14 residues pruned to eliminate duplicates Z: 21 21.603 1.864 0.766 0.835 0.900 0.650 CB 1.221 21 residues pruned to eliminate duplicates Z: 12 11.445 1.555 0.408 0.823 1.000 0.818 CB 1.191 12 residues pruned to eliminate duplicates Z: 11 15.075 1.830 0.882 0.841 0.900 0.800 CB 1.147 11 residues pruned to eliminate duplicates Z: 20 12.240 1.877 0.812 0.347 0.737 0.368 CB 1.324 20 residues pruned to eliminate duplicates Z: 26 33.374 2.166 0.835 0.684 0.920 0.400 CB 1.542 26 residues pruned to eliminate duplicates Z: 20 33.653 2.181 0.879 0.800 0.947 0.368 CB 1.530 20 residues pruned to eliminate duplicates Z: 60 69.658 2.397 1.020 0.617 0.949 0.661 CB 1.767 60 residues pruned to eliminate duplicates Z: 14 25.351 2.076 0.635 0.787 1.000 0.538 CA 1.610 14 residues pruned to eliminate duplicates Z: 12 36.066 2.322 1.409 0.781 0.909 0.909 CB 1.669 12 residues pruned to eliminate duplicates Z: 16 23.513 2.060 0.651 0.784 1.000 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 15 21.969 2.071 0.627 0.784 1.000 0.571 CB 1.357 15 residues pruned to eliminate duplicates Z: 40 62.186 2.377 1.065 0.710 0.974 0.718 CA 1.721 40 residues pruned to eliminate duplicates Z: 10 23.896 2.020 0.897 0.838 1.000 0.667 CB 1.554 10 residues pruned to eliminate duplicates Z: 16 25.989 2.068 0.800 0.922 0.933 0.933 CB 1.358 16 residues pruned to eliminate duplicates Z: 13 22.728 1.999 0.865 0.880 0.917 0.833 CB 1.391 13 residues pruned to eliminate duplicates Z: 67 61.695 2.302 0.938 0.577 0.939 0.742 CB 1.682 67 residues pruned to eliminate duplicates Z: 12 16.927 1.836 0.676 0.796 1.000 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 29 44.954 2.257 1.090 0.684 0.964 0.714 CB 1.577 29 residues pruned to eliminate duplicates Z: 24 30.060 2.138 0.974 0.615 0.870 0.565 CB 1.532 24 residues pruned to eliminate duplicates Z: 9 13.674 1.917 0.559 0.835 1.000 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 14 31.997 2.128 0.864 0.860 1.000 0.846 CA 1.645 14 residues pruned to eliminate duplicates Z: 14 18.655 2.120 0.472 0.800 0.846 0.615 CB 1.507 14 residues pruned to eliminate duplicates Z: 14 28.696 2.069 0.970 0.892 1.000 0.923 CB 1.402 14 residues pruned to eliminate duplicates Z: 12 13.314 1.991 0.405 0.824 0.818 0.636 CA 1.325 12 residues pruned to eliminate duplicates Z: 8 20.551 2.111 1.324 0.816 1.000 0.000 CB 1.204 8 residues pruned to eliminate duplicates Z: 8 11.964 1.854 0.681 0.844 1.000 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 33 22.201 1.890 0.767 0.521 0.812 0.438 CB 1.417 33 residues pruned to eliminate duplicates Z: 16 20.932 1.979 0.720 0.752 0.867 0.600 CA 1.463 16 residues pruned to eliminate duplicates Z: 11 19.766 1.917 1.344 0.841 0.800 0.500 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 5.379 1.620 0.510 0.421 0.889 0.444 CB 0.895 10 residues pruned to eliminate duplicates Z: 15 17.533 1.926 0.430 0.862 1.000 0.714 CB 1.249 15 residues pruned to eliminate duplicates Z: 6 2.369 1.472 0.348 0.311 0.600 0.200 O 1.098 Z: 15 27.628 2.136 0.812 0.938 1.000 0.786 CB 1.326 15 residues pruned to eliminate duplicates Z: 24 32.561 2.260 1.104 0.514 0.913 0.739 CB 1.542 24 residues pruned to eliminate duplicates Z: 59 71.071 2.335 1.047 0.635 0.983 0.707 CB 1.750 59 residues pruned to eliminate duplicates Z: 14 28.179 2.164 0.624 0.936 1.000 0.923 CB 1.549 14 residues pruned to eliminate duplicates Z: 58 51.699 2.227 0.900 0.636 0.930 0.807 CB 1.532 58 residues pruned to eliminate duplicates Z: 16 23.198 2.077 0.628 0.774 0.933 0.533 CA 1.490 16 residues pruned to eliminate duplicates Z: 16 14.662 1.847 0.451 0.739 0.800 0.533 CB 1.426 16 residues pruned to eliminate duplicates Z: 14 21.403 1.912 0.849 0.886 0.923 0.538 CB 1.312 14 residues pruned to eliminate duplicates Z: 10 4.881 1.708 0.803 0.342 0.667 0.333 CA 0.941 10 residues pruned to eliminate duplicates Z: 20 24.015 1.935 0.581 0.825 1.000 0.632 CB 1.358 20 residues pruned to eliminate duplicates Z: 14 27.165 2.163 0.663 0.938 1.000 0.846 CB 1.456 14 residues pruned to eliminate duplicates Z: 9 15.146 1.913 0.958 0.796 0.875 0.750 CB 1.260 9 residues pruned to eliminate duplicates Z: 17 10.976 2.073 0.792 0.248 0.688 0.500 CB 1.437 17 residues pruned to eliminate duplicates Z: 11 19.802 1.930 0.880 0.790 0.900 0.500 CB 1.487 11 residues pruned to eliminate duplicates Z: 12 16.994 1.764 0.943 0.816 0.909 0.455 CB 1.249 12 residues pruned to eliminate duplicates Z: 65 63.923 2.340 0.874 0.574 0.969 0.734 CB 1.752 65 residues pruned to eliminate duplicates Z: 65 60.676 2.349 0.932 0.583 0.906 0.672 CA 1.702 65 residues pruned to eliminate duplicates Z: 15 37.422 2.112 1.082 0.898 1.000 0.714 CB 1.627 15 residues pruned to eliminate duplicates Z: 24 31.222 1.921 0.929 0.856 0.913 0.565 CB 1.418 24 residues pruned to eliminate duplicates Z: 37 43.558 2.214 1.039 0.664 0.917 0.583 CB 1.508 37 residues pruned to eliminate duplicates Z: 6 6.801 1.836 1.215 0.449 0.800 0.600 CB 0.985 6 residues pruned to eliminate duplicates Z: 80 71.705 2.286 1.009 0.571 0.962 0.595 CB 1.705 80 residues pruned to eliminate duplicates Z: 18 27.474 2.090 0.858 0.612 1.000 0.706 CB 1.544 18 residues pruned to eliminate duplicates Z: 14 23.975 2.296 0.704 0.704 0.846 0.615 CB 1.670 14 residues pruned to eliminate duplicates Z: 10 5.684 1.805 -0.208 0.589 0.889 0.556 N 1.369 Z: 66 56.462 2.278 0.793 0.600 0.954 0.754 CB 1.634 66 residues pruned to eliminate duplicates Z: 16 16.495 1.882 0.481 0.821 0.800 0.667 CB 1.446 16 residues pruned to eliminate duplicates Z: 9 4.681 1.622 0.185 0.372 0.750 0.500 CA 1.316 9 residues pruned to eliminate duplicates Z: 13 20.840 2.028 0.689 0.798 0.917 0.833 CB 1.476 13 residues pruned to eliminate duplicates Z: 8 13.193 2.151 0.342 0.789 1.000 0.571 CB 1.340 8 residues pruned to eliminate duplicates Z: 15 17.855 2.021 0.399 0.721 0.929 0.571 CA 1.489 15 residues pruned to eliminate duplicates Z: 49 55.756 2.272 0.858 0.642 0.979 0.604 CB 1.705 49 residues pruned to eliminate duplicates Z: 14 30.377 2.121 1.021 0.924 1.000 0.692 CB 1.381 14 residues pruned to eliminate duplicates Z: 67 55.010 2.273 0.775 0.597 0.909 0.697 CB 1.683 67 residues pruned to eliminate duplicates Z: 11 6.149 1.692 -0.124 0.600 0.900 0.800 CB 1.324 Z: 59 59.480 2.259 0.923 0.637 0.983 0.810 CB 1.609 59 residues pruned to eliminate duplicates Z: 64 68.041 2.300 0.952 0.617 0.968 0.683 CB 1.765 64 residues pruned to eliminate duplicates Z: 17 21.358 2.067 0.580 0.862 0.938 0.812 CA 1.281 17 residues pruned to eliminate duplicates Z: 12 16.571 1.913 1.058 0.614 0.818 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 7 4.038 1.456 0.303 0.269 1.000 0.500 CA 1.130 6 residues pruned to eliminate duplicates Z: 12 13.736 1.868 0.765 0.655 0.818 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 18 27.904 2.127 0.872 0.525 1.000 0.647 CB 1.658 18 residues pruned to eliminate duplicates Z: 66 62.094 2.335 0.873 0.575 0.954 0.754 CB 1.717 66 residues pruned to eliminate duplicates Z: 10 14.691 1.870 0.518 0.871 1.000 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 6 5.578 1.435 0.432 0.812 1.000 0.600 N 0.925 Z: 64 60.501 2.292 0.928 0.583 0.952 0.730 CB 1.672 64 residues pruned to eliminate duplicates Z: 14 28.080 2.129 0.892 0.940 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 12 12.578 2.010 1.050 0.310 0.909 0.364 CB 1.249 12 residues pruned to eliminate duplicates Z: 15 23.805 2.080 0.475 0.929 1.000 1.000 CB 1.451 15 residues pruned to eliminate duplicates Z: 11 14.637 1.720 0.753 0.824 1.000 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 15 26.875 1.873 0.942 0.885 1.000 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 61 68.888 2.324 1.075 0.621 0.967 0.733 CB 1.702 61 residues pruned to eliminate duplicates Z: 31 39.465 2.252 1.074 0.647 0.867 0.467 CB 1.552 31 residues pruned to eliminate duplicates Z: 12 23.636 2.056 1.207 0.721 0.909 0.727 CA 1.415 12 residues pruned to eliminate duplicates Z: 67 51.001 2.203 0.827 0.560 0.939 0.667 CB 1.566 67 residues pruned to eliminate duplicates Z: 11 12.711 1.722 0.610 0.807 1.000 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 6 7.803 1.557 0.877 0.738 0.800 0.800 N 1.205 Z: 16 23.691 2.217 0.751 0.731 0.867 0.600 CA 1.477 16 residues pruned to eliminate duplicates Z: 16 34.721 2.202 1.206 0.610 0.933 0.800 CB 1.780 16 residues pruned to eliminate duplicates Z: 7 3.766 1.612 -0.097 0.783 1.000 0.833 CB 0.823 Z: 14 14.951 1.927 1.203 0.559 0.692 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 59 48.332 2.180 0.647 0.593 0.931 0.707 CA 1.737 59 residues pruned to eliminate duplicates Z: 6 4.050 1.378 0.216 0.813 0.800 0.800 N 1.029 Z: 62 55.070 2.194 0.945 0.621 0.984 0.705 CB 1.499 62 residues pruned to eliminate duplicates Z: 43 36.849 2.137 0.826 0.603 0.881 0.548 CB 1.499 43 residues pruned to eliminate duplicates Z: 6 3.378 1.635 -0.027 0.422 1.000 0.800 CB 1.031 Z: 62 59.932 2.335 0.792 0.603 0.984 0.705 CB 1.691 62 residues pruned to eliminate duplicates Z: 14 27.840 2.089 1.122 0.669 0.923 0.692 CB 1.615 14 residues pruned to eliminate duplicates Z: 15 29.607 2.089 0.868 0.913 1.000 0.929 CB 1.435 15 residues pruned to eliminate duplicates Z: 11 11.251 1.628 0.699 0.867 1.000 0.700 CB 0.941 11 residues pruned to eliminate duplicates Z: 16 17.465 1.856 1.037 0.594 0.867 0.533 CB 1.259 16 residues pruned to eliminate duplicates Z: 16 26.811 2.042 0.946 0.911 1.000 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 17 28.055 2.131 0.835 0.600 0.938 0.750 CB 1.739 17 residues pruned to eliminate duplicates Z: 55 65.813 2.368 0.900 0.645 0.981 0.741 CA 1.772 67 residues pruned to eliminate duplicates Z: 65 57.005 2.262 0.911 0.594 0.938 0.750 CB 1.606 65 residues pruned to eliminate duplicates Z: 23 32.110 2.155 1.190 0.645 0.864 0.500 CB 1.466 30 residues pruned to eliminate duplicates Z: 34 38.233 2.172 1.033 0.597 0.879 0.636 CB 1.564 34 residues pruned to eliminate duplicates Z: 13 21.273 1.992 0.740 0.796 0.917 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 16 27.930 2.094 0.593 0.903 1.000 0.733 CB 1.541 16 residues pruned to eliminate duplicates Z: 41 32.310 2.001 0.952 0.593 0.850 0.700 CB 1.408 41 residues pruned to eliminate duplicates Z: 16 28.041 2.074 0.828 0.931 1.000 0.933 CB 1.334 16 residues pruned to eliminate duplicates Z: 12 17.225 2.140 0.739 0.663 0.909 0.818 CB 1.320 12 residues pruned to eliminate duplicates Z: 64 69.994 2.362 0.993 0.605 0.968 0.746 CB 1.750 64 residues pruned to eliminate duplicates Z: 13 20.047 1.980 0.840 0.811 0.917 0.917 CB 1.322 13 residues pruned to eliminate duplicates Z: 17 20.625 1.874 0.851 0.906 1.000 0.750 CB 1.057 17 residues pruned to eliminate duplicates Z: 9 4.228 1.731 -0.368 0.541 1.000 0.625 CB 1.313 Z: 15 25.058 2.050 0.746 0.935 1.000 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 7 6.197 1.963 -0.061 0.602 0.833 0.667 CB 1.494 7 residues pruned to eliminate duplicates Z: 13 15.955 2.168 0.175 0.782 0.833 0.667 CB 1.693 13 residues pruned to eliminate duplicates Z: 9 6.077 1.843 -0.107 0.547 0.875 0.375 CB 1.425 Z: 59 60.307 2.298 0.857 0.653 0.966 0.672 CB 1.667 59 residues pruned to eliminate duplicates Z: 32 44.787 2.338 0.837 0.599 0.935 0.677 CB 1.822 32 residues pruned to eliminate duplicates Z: 14 20.453 2.035 0.457 0.933 1.000 1.000 CB 1.336 14 residues pruned to eliminate duplicates Z: 21 17.932 1.831 0.751 0.637 0.900 0.500 CB 1.222 21 residues pruned to eliminate duplicates Z: 11 15.881 1.861 0.934 0.656 1.000 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 12.091 1.696 0.798 0.814 1.000 0.500 CB 0.954 11 residues pruned to eliminate duplicates Z: 17 16.711 1.946 0.397 0.767 0.875 0.562 CB 1.386 17 residues pruned to eliminate duplicates Z: 17 24.894 2.100 0.692 0.885 0.938 0.750 CA 1.348 17 residues pruned to eliminate duplicates Z: 15 28.703 2.078 0.768 0.921 1.000 0.500 CB 1.470 15 residues pruned to eliminate duplicates Z: 16 16.081 1.990 0.459 0.792 0.933 0.600 CB 1.186 16 residues pruned to eliminate duplicates Z: 16 21.792 2.032 0.653 0.771 0.933 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 64 68.925 2.294 0.981 0.625 0.968 0.714 CA 1.754 64 residues pruned to eliminate duplicates Z: 12 18.193 1.849 0.661 0.872 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 6 5.627 2.003 -0.391 0.704 1.000 0.800 CB 1.714 7 residues pruned to eliminate duplicates Z: 15 26.550 2.267 1.011 0.542 0.857 0.714 CB 1.742 15 residues pruned to eliminate duplicates Z: 7 6.293 1.717 -0.151 0.821 1.000 0.833 CB 1.335 Z: 10 11.942 2.010 0.942 0.457 0.889 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 14 21.386 2.097 1.092 0.669 0.846 0.769 CB 1.367 14 residues pruned to eliminate duplicates Z: 64 66.206 2.360 0.931 0.593 0.952 0.762 CB 1.759 64 residues pruned to eliminate duplicates Z: 18 33.117 2.262 1.056 0.644 0.882 0.765 CB 1.711 18 residues pruned to eliminate duplicates Z: 13 19.215 2.252 0.395 0.753 0.917 0.667 CA 1.538 13 residues pruned to eliminate duplicates Z: 10 10.495 1.675 0.666 0.826 0.778 0.667 CA 1.215 10 residues pruned to eliminate duplicates Z: 14 24.057 1.815 1.013 0.885 1.000 0.846 CA 1.318 14 residues pruned to eliminate duplicates Z: 24 33.235 1.959 0.956 0.862 0.957 0.609 CB 1.389 24 residues pruned to eliminate duplicates Z: 10 17.209 2.030 1.120 0.621 0.778 0.667 CB 1.529 10 residues pruned to eliminate duplicates Z: 21 21.899 1.886 0.624 0.853 0.950 0.650 CB 1.244 21 residues pruned to eliminate duplicates Z: 6 9.116 1.822 1.016 0.854 1.000 0.800 CB 0.820 Z: 6 3.405 1.401 1.302 0.494 0.600 0.600 CA 0.792 6 residues pruned to eliminate duplicates Z: 17 25.576 2.182 0.849 0.811 0.938 0.625 CA 1.290 17 residues pruned to eliminate duplicates Z: 70 51.166 2.225 0.810 0.588 0.957 0.681 CB 1.471 70 residues pruned to eliminate duplicates Z: 7 5.119 1.638 0.063 0.673 0.833 0.667 C 1.228 6 residues pruned to eliminate duplicates Z: 6 7.242 2.033 0.807 0.442 0.600 0.200 N 1.559 6 residues pruned to eliminate duplicates Z: 55 68.587 2.398 0.933 0.671 0.981 0.741 CA 1.753 55 residues pruned to eliminate duplicates Z: 15 28.907 2.142 0.694 0.923 0.929 0.643 CA 1.612 15 residues pruned to eliminate duplicates Z: 58 62.945 2.326 0.927 0.656 0.965 0.754 CB 1.667 58 residues pruned to eliminate duplicates Z: 14 20.824 1.949 0.629 0.806 0.923 0.692 CA 1.509 14 residues pruned to eliminate duplicates Z: 76 71.140 2.305 0.910 0.633 0.973 0.693 CB 1.692 76 residues pruned to eliminate duplicates Z: 9 4.270 1.470 -0.029 0.581 1.000 0.750 CB 0.978 10 residues pruned to eliminate duplicates Z: 36 48.207 2.287 0.990 0.604 0.943 0.543 CB 1.721 36 residues pruned to eliminate duplicates Z: 12 6.261 1.456 0.763 0.474 0.727 0.273 CB 1.038 Z: 6 6.266 1.792 -0.031 0.609 1.000 0.800 O 1.454 4 residues pruned to eliminate duplicates Z: 7 2.981 1.368 0.126 0.434 1.000 0.667 O 0.846 Z: 7 2.861 1.528 0.970 0.463 0.667 0.500 CB 0.604 Z: 14 24.449 1.957 0.795 0.884 1.000 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 63 62.855 2.257 0.888 0.613 0.984 0.790 CB 1.711 63 residues pruned to eliminate duplicates Z: 6 3.942 1.805 -0.344 0.560 1.000 0.600 O 1.405 Z: 63 61.967 2.308 0.924 0.626 0.952 0.694 CB 1.655 63 residues pruned to eliminate duplicates Z: 8 5.769 1.848 -0.194 0.726 1.000 0.714 CB 1.193 8 residues pruned to eliminate duplicates Z: 15 27.710 2.082 0.957 0.950 1.000 0.857 CB 1.253 15 residues pruned to eliminate duplicates Z: 16 20.115 2.004 0.650 0.759 0.933 0.533 CB 1.336 16 residues pruned to eliminate duplicates Z: 60 59.068 2.247 0.993 0.625 0.966 0.729 CB 1.580 60 residues pruned to eliminate duplicates Z: 14 30.219 2.148 0.969 0.909 0.923 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 9 9.225 1.383 0.633 0.837 1.000 0.875 O 1.080 9 residues pruned to eliminate duplicates Z: 16 29.223 2.067 0.869 0.939 0.933 0.600 CA 1.455 16 residues pruned to eliminate duplicates Z: 17 16.678 2.069 0.296 0.806 0.750 0.625 CA 1.588 17 residues pruned to eliminate duplicates Z: 7 2.728 1.445 0.790 0.277 0.500 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 55 59.973 2.292 0.803 0.654 0.981 0.722 CB 1.744 55 residues pruned to eliminate duplicates 7 1.719 1.372 -0.226 0.484 0.833 0.667 C 0.806 ? Z: 22 24.228 1.936 0.738 0.810 0.952 0.381 CB 1.259 22 residues pruned to eliminate duplicates Z: 58 54.504 2.245 0.928 0.656 0.930 0.807 CB 1.552 58 residues pruned to eliminate duplicates Z: 14 18.446 2.142 0.341 0.866 0.923 0.615 CB 1.414 14 residues pruned to eliminate duplicates Z: 6 4.297 1.927 0.177 0.608 0.800 0.600 CB 0.955 6 residues pruned to eliminate duplicates Z: 15 32.890 2.383 1.013 0.568 0.929 0.643 CA 1.848 15 residues pruned to eliminate duplicates Z: 10 6.364 1.780 0.383 0.409 1.000 0.444 CB 0.948 10 residues pruned to eliminate duplicates Z: 14 17.387 1.953 0.630 0.900 0.846 0.538 CB 1.280 14 residues pruned to eliminate duplicates Z: 10 4.759 1.664 -0.085 0.351 0.889 0.556 N 1.377 9 residues pruned to eliminate duplicates Z: 47 64.969 2.300 1.024 0.663 1.000 0.804 CB 1.768 47 residues pruned to eliminate duplicates Z: 10 8.165 1.742 0.574 0.452 0.889 0.556 C 1.173 10 residues pruned to eliminate duplicates Z: 11 10.999 1.634 0.831 0.848 0.900 0.800 CB 0.958 11 residues pruned to eliminate duplicates Z: 6 6.118 1.687 0.074 0.821 1.000 1.000 N 1.143 Z: 89 56.748 2.108 0.966 0.583 0.909 0.591 CB 1.483 89 residues pruned to eliminate duplicates Z: 25 27.180 2.025 0.719 0.636 0.917 0.625 CA 1.531 25 residues pruned to eliminate duplicates Z: 18 9.086 1.731 0.500 0.333 0.824 0.412 CB 1.238 18 residues pruned to eliminate duplicates Z: 15 30.798 2.108 0.797 0.937 1.000 0.714 CA 1.512 15 residues pruned to eliminate duplicates Z: 7 3.039 1.760 0.477 0.242 0.500 0.500 CB 1.288 Z: 38 40.690 2.213 0.961 0.628 0.892 0.838 CB 1.532 38 residues pruned to eliminate duplicates Z: 63 65.289 2.299 0.863 0.601 0.984 0.710 CB 1.787 63 residues pruned to eliminate duplicates Z: 6 5.475 1.986 0.394 0.634 0.800 0.600 CB 0.974 18 residues pruned to eliminate duplicates Z: 54 64.753 2.274 0.953 0.649 0.981 0.660 CB 1.776 54 residues pruned to eliminate duplicates Z: 43 35.215 2.079 1.111 0.605 0.857 0.524 CB 1.307 43 residues pruned to eliminate duplicates Z: 13 12.976 1.765 0.664 0.738 0.917 0.583 CB 1.124 13 residues pruned to eliminate duplicates Z: 7 15.367 2.133 0.950 0.523 1.000 0.667 CA 1.474 7 residues pruned to eliminate duplicates Z: 7 6.698 1.895 -0.077 0.573 1.000 0.667 CB 1.456 7 residues pruned to eliminate duplicates Z: 11 12.395 1.712 0.573 0.857 1.000 0.800 CB 1.073 11 residues pruned to eliminate duplicates Z: 15 21.737 2.143 0.502 0.808 1.000 0.786 CB 1.380 15 residues pruned to eliminate duplicates Z: 12 16.072 1.740 1.142 0.667 0.818 0.727 C 1.361 12 residues pruned to eliminate duplicates Z: 8 2.993 1.558 -0.280 0.480 0.857 0.571 O 1.200 Z: 13 19.360 1.989 0.893 0.896 0.833 0.583 CA 1.276 13 residues pruned to eliminate duplicates Z: 26 41.226 2.253 0.855 0.721 0.960 0.680 CA 1.684 26 residues pruned to eliminate duplicates Z: 70 66.836 2.320 1.008 0.586 0.957 0.710 CB 1.663 70 residues pruned to eliminate duplicates Z: 61 60.135 2.247 0.781 0.625 0.967 0.767 CA 1.784 61 residues pruned to eliminate duplicates Z: 61 57.428 2.280 0.760 0.636 0.967 0.750 CB 1.683 61 residues pruned to eliminate duplicates Z: 8 4.888 1.617 0.308 0.466 0.714 0.714 CB 1.266 6 residues pruned to eliminate duplicates Z: 6 2.775 1.376 0.411 0.454 0.600 0.400 CA 1.116 Z: 10 13.884 2.031 1.014 0.569 0.778 0.444 CA 1.360 10 residues pruned to eliminate duplicates Z: 13 21.988 2.038 1.189 0.717 0.833 0.833 CB 1.402 13 residues pruned to eliminate duplicates Z: 19 21.526 1.892 0.896 0.810 0.889 0.667 CA 1.215 19 residues pruned to eliminate duplicates Z: 16 22.329 2.065 0.503 0.835 1.000 0.800 CB 1.391 16 residues pruned to eliminate duplicates Z: 12 18.133 1.830 1.232 0.743 0.818 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 11 7.026 1.628 -0.067 0.589 1.000 0.600 CB 1.344 8 residues pruned to eliminate duplicates Z: 7 4.054 1.555 -0.200 0.652 1.000 0.667 N 1.155 7 residues pruned to eliminate duplicates Z: 14 26.413 2.045 0.861 0.913 1.000 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 45 35.666 2.129 0.599 0.528 0.909 0.591 CA 1.691 45 residues pruned to eliminate duplicates Z: 15 25.410 1.838 1.141 0.892 1.000 0.571 CB 1.240 15 residues pruned to eliminate duplicates Z: 59 69.287 2.378 1.013 0.622 0.966 0.741 CB 1.754 59 residues pruned to eliminate duplicates 6 1.430 1.783 -0.075 0.295 0.600 0.400 CB 0.813 ? Z: 15 22.736 2.125 0.977 0.609 0.929 0.714 CB 1.404 15 residues pruned to eliminate duplicates Z: 6 4.023 1.685 0.316 0.334 0.800 0.600 CA 1.217 6 residues pruned to eliminate duplicates 6 1.724 1.375 0.818 0.307 0.600 0.600 CB 0.637 ? Z: 9 7.336 1.859 0.106 0.819 0.875 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 10 9.603 1.932 0.418 0.859 0.778 0.556 CB 1.105 10 residues pruned to eliminate duplicates Z: 9 5.827 1.770 0.369 0.340 0.750 0.375 CA 1.349 9 residues pruned to eliminate duplicates Z: 13 26.473 2.001 1.252 0.678 0.917 0.750 CA 1.571 13 residues pruned to eliminate duplicates Z: 16 13.345 1.885 0.331 0.498 0.867 0.400 CB 1.587 Z: 67 51.628 2.248 0.765 0.575 0.924 0.712 CB 1.611 67 residues pruned to eliminate duplicates Z: 6 4.287 1.457 0.774 0.634 1.000 0.600 CA 0.654 6 residues pruned to eliminate duplicates Z: 57 63.811 2.341 0.848 0.644 0.982 0.786 CA 1.755 57 residues pruned to eliminate duplicates Z: 19 27.924 2.098 0.939 0.585 0.889 0.667 CB 1.677 19 residues pruned to eliminate duplicates Z: 52 57.831 2.222 0.997 0.620 0.961 0.667 CB 1.696 52 residues pruned to eliminate duplicates Z: 16 24.343 2.051 1.257 0.631 0.800 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 16 19.313 2.138 0.241 0.770 1.000 0.600 CB 1.481 16 residues pruned to eliminate duplicates Z: 16 20.793 2.176 0.951 0.461 0.933 0.733 CB 1.410 16 residues pruned to eliminate duplicates Z: 14 21.695 2.106 1.130 0.639 0.923 0.769 CB 1.276 14 residues pruned to eliminate duplicates Z: 59 63.394 2.247 0.946 0.626 0.983 0.707 CB 1.719 59 residues pruned to eliminate duplicates Z: 47 61.363 2.359 1.066 0.646 0.978 0.739 CA 1.656 47 residues pruned to eliminate duplicates Z: 24 21.271 2.107 0.536 0.497 0.957 0.739 CB 1.437 24 residues pruned to eliminate duplicates Z: 12 6.246 1.753 -0.153 0.583 0.818 0.636 N 1.431 11 residues pruned to eliminate duplicates Z: 16 23.962 2.056 0.704 0.907 1.000 0.800 CB 1.255 16 residues pruned to eliminate duplicates Z: 58 42.687 2.095 0.763 0.599 0.947 0.667 CB 1.470 58 residues pruned to eliminate duplicates Z: 8 11.877 2.070 1.147 0.442 0.714 0.714 CA 1.502 8 residues pruned to eliminate duplicates Z: 15 25.952 2.106 0.675 0.944 1.000 0.786 CB 1.361 15 residues pruned to eliminate duplicates Z: 11 26.278 2.102 1.053 0.904 1.000 0.800 CB 1.372 11 residues pruned to eliminate duplicates Z: 13 29.820 2.027 1.159 0.892 1.000 0.667 CA 1.413 13 residues pruned to eliminate duplicates Z: 29 39.597 2.289 1.102 0.544 0.929 0.857 CB 1.606 29 residues pruned to eliminate duplicates Z: 10 17.304 1.966 0.921 0.650 0.889 0.556 CB 1.493 10 residues pruned to eliminate duplicates Z: 8 3.164 1.766 0.384 0.224 0.571 0.429 CB 1.183 8 residues pruned to eliminate duplicates Z: 10 21.023 2.048 0.803 0.834 0.889 0.556 CA 1.601 10 residues pruned to eliminate duplicates Z: 16 13.446 1.923 0.418 0.359 1.000 0.533 CB 1.483 16 residues pruned to eliminate duplicates Z: 30 35.917 2.038 1.057 0.569 0.931 0.759 CB 1.599 30 residues pruned to eliminate duplicates Z: 9 6.579 1.809 0.363 0.529 0.750 0.625 N 1.222 Z: 16 24.979 2.080 0.578 0.937 1.000 0.933 CB 1.368 16 residues pruned to eliminate duplicates Z: 23 34.658 2.084 1.083 0.780 0.955 0.500 CB 1.393 23 residues pruned to eliminate duplicates Z: 10 5.224 1.579 -0.020 0.547 1.000 0.778 CB 1.075 Z: 11 3.459 1.358 0.375 0.511 0.800 0.400 CB 0.724 Z: 24 21.027 2.010 0.964 0.464 0.783 0.609 CB 1.472 24 residues pruned to eliminate duplicates Z: 12 10.155 2.047 0.848 0.264 0.818 0.364 CB 1.294 12 residues pruned to eliminate duplicates Z: 8 4.665 1.657 -0.190 0.492 1.000 0.714 CB 1.325 8 residues pruned to eliminate duplicates Z: 8 7.836 1.835 0.017 0.665 1.000 0.571 CA 1.362 8 residues pruned to eliminate duplicates Z: 62 59.423 2.297 0.978 0.573 0.918 0.689 CA 1.699 62 residues pruned to eliminate duplicates Z: 15 26.610 1.869 0.875 0.890 1.000 0.857 CB 1.460 15 residues pruned to eliminate duplicates Z: 7 4.082 1.295 0.626 0.401 0.833 0.500 CB 1.054 Z: 11 10.614 1.969 1.015 0.490 0.800 0.500 CB 1.068 11 residues pruned to eliminate duplicates Z: 66 55.262 2.227 0.802 0.555 0.923 0.677 CB 1.753 66 residues pruned to eliminate duplicates Z: 9 4.541 1.548 -0.032 0.393 1.000 0.250 CB 1.199 Z: 14 24.383 2.202 0.425 0.934 1.000 1.000 CB 1.502 14 residues pruned to eliminate duplicates Z: 12 29.470 2.192 1.235 0.913 1.000 0.909 CB 1.284 12 residues pruned to eliminate duplicates Z: 10 3.956 1.691 -0.324 0.407 1.000 0.667 CB 1.272 9 residues pruned to eliminate duplicates Z: 59 63.826 2.359 0.859 0.619 0.948 0.741 CB 1.801 60 residues pruned to eliminate duplicates Z: 7 12.937 2.088 0.540 0.559 1.000 0.500 CA 1.551 7 residues pruned to eliminate duplicates Z: 49 59.531 2.288 1.115 0.611 0.958 0.688 CB 1.667 49 residues pruned to eliminate duplicates Z: 6 4.134 1.745 0.552 0.300 0.600 0.600 CB 1.422 6 residues pruned to eliminate duplicates Z: 24 17.632 1.929 0.760 0.437 0.870 0.609 CB 1.329 24 residues pruned to eliminate duplicates Z: 34 45.254 2.214 1.027 0.666 0.970 0.818 CA 1.553 34 residues pruned to eliminate duplicates Z: 19 33.713 2.197 1.303 0.623 0.944 0.500 CB 1.481 19 residues pruned to eliminate duplicates Z: 14 19.717 2.099 0.761 0.849 0.769 0.538 CB 1.426 14 residues pruned to eliminate duplicates Z: 6 5.020 1.514 0.548 0.674 1.000 1.000 CA 0.816 6 residues pruned to eliminate duplicates Z: 10 8.046 1.850 -0.074 0.730 0.889 0.556 O 1.432 15 residues pruned to eliminate duplicates Z: 7 6.666 1.754 0.454 0.528 1.000 0.667 CA 1.038 7 residues pruned to eliminate duplicates Z: 79 70.353 2.332 0.977 0.570 0.949 0.667 CA 1.703 79 residues pruned to eliminate duplicates Z: 7 2.770 1.439 0.433 0.347 0.667 0.500 CB 0.971 Z: 54 67.452 2.332 0.961 0.699 0.981 0.792 CA 1.722 54 residues pruned to eliminate duplicates Z: 13 21.633 2.041 0.444 0.852 1.000 0.750 CB 1.567 13 residues pruned to eliminate duplicates Z: 59 54.316 2.187 0.953 0.635 0.948 0.690 CB 1.552 59 residues pruned to eliminate duplicates Z: 8 7.460 1.659 0.310 0.631 0.857 0.857 C 1.339 8 residues pruned to eliminate duplicates Z: 12 6.060 1.707 -0.080 0.509 0.909 0.545 CB 1.268 11 residues pruned to eliminate duplicates Z: 6 10.404 1.704 1.293 0.815 1.000 0.800 N 0.905 9 1.829 1.203 0.362 0.249 0.750 0.625 CA 0.702 ? Z: 62 64.117 2.241 0.919 0.622 0.967 0.721 CA 1.760 62 residues pruned to eliminate duplicates Z: 53 44.902 2.225 0.989 0.558 0.846 0.538 CA 1.573 53 residues pruned to eliminate duplicates Z: 38 35.809 2.039 0.962 0.541 0.973 0.676 CB 1.453 44 residues pruned to eliminate duplicates Z: 22 29.492 2.235 1.076 0.445 0.857 0.762 CB 1.712 22 residues pruned to eliminate duplicates Z: 14 30.559 2.110 1.094 0.947 1.000 0.923 CB 1.325 14 residues pruned to eliminate duplicates Z: 19 24.823 2.038 0.669 0.609 1.000 0.778 CA 1.551 19 residues pruned to eliminate duplicates Z: 37 30.462 1.988 0.891 0.676 0.861 0.611 CB 1.334 37 residues pruned to eliminate duplicates Z: 6 4.603 1.855 -0.334 0.731 1.000 0.600 CB 1.353 6 residues pruned to eliminate duplicates Z: 52 46.278 2.196 0.742 0.578 0.961 0.608 CB 1.636 52 residues pruned to eliminate duplicates Z: 7 2.492 1.754 0.223 0.363 0.500 0.333 CB 1.099 7 residues pruned to eliminate duplicates Z: 17 27.659 2.124 0.820 0.614 1.000 0.812 CB 1.606 17 residues pruned to eliminate duplicates Z: 62 53.397 2.235 0.765 0.615 0.967 0.705 CB 1.607 62 residues pruned to eliminate duplicates Z: 25 40.532 2.303 1.083 0.705 0.958 0.750 CB 1.494 25 residues pruned to eliminate duplicates Z: 33 40.409 2.290 1.052 0.545 0.938 0.750 CB 1.551 33 residues pruned to eliminate duplicates Z: 7 12.251 2.033 1.061 0.725 0.833 0.833 CB 1.169 Z: 6 3.760 1.633 -0.209 0.669 1.000 1.000 N 1.113 7 residues pruned to eliminate duplicates Z: 6 3.904 1.694 -0.181 0.521 1.000 0.600 C 1.234 6 residues pruned to eliminate duplicates Z: 13 21.456 2.185 0.741 0.430 1.000 0.667 CA 1.750 13 residues pruned to eliminate duplicates Z: 7 6.876 1.827 -0.128 0.708 1.000 0.667 C 1.458 4 residues pruned to eliminate duplicates Z: 8 4.088 1.529 -0.007 0.432 0.857 0.714 CB 1.273 8 residues pruned to eliminate duplicates Z: 32 32.845 2.164 0.867 0.566 0.903 0.581 CA 1.516 32 residues pruned to eliminate duplicates Z: 7 3.694 1.453 0.352 0.518 0.833 0.667 N 0.905 Z: 14 9.351 1.480 1.006 0.671 0.923 0.769 CB 0.808 Z: 14 21.833 1.879 0.888 0.771 1.000 0.615 CA 1.343 14 residues pruned to eliminate duplicates Z: 8 3.113 1.616 -0.234 0.547 0.857 0.429 C 1.059 8 residues pruned to eliminate duplicates Z: 12 12.339 1.895 0.759 0.585 0.818 0.364 CB 1.257 18 residues pruned to eliminate duplicates Z: 6 3.649 1.550 0.145 0.534 0.800 0.600 C 1.111 Z: 75 60.037 2.266 0.921 0.545 0.946 0.689 CB 1.622 75 residues pruned to eliminate duplicates Z: 60 68.947 2.360 0.966 0.639 0.966 0.746 CA 1.759 60 residues pruned to eliminate duplicates 6 1.174 1.048 0.310 0.298 0.600 0.400 CA 0.799 ? Z: 36 46.151 2.129 1.051 0.693 0.943 0.600 CB 1.588 36 residues pruned to eliminate duplicates Z: 88 62.859 2.168 1.064 0.649 0.885 0.678 CB 1.482 98 residues pruned to eliminate duplicates Z: 7 7.522 1.879 0.229 0.760 0.833 0.500 CA 1.267 7 residues pruned to eliminate duplicates Z: 8 3.011 1.419 0.191 0.331 0.857 0.571 C 0.946 Z: 8 3.476 1.643 0.524 0.522 0.714 0.714 CB 0.719 6 residues pruned to eliminate duplicates Z: 15 25.504 2.176 1.404 0.676 0.786 0.714 CB 1.411 15 residues pruned to eliminate duplicates Z: 8 4.746 1.449 0.055 0.599 0.857 0.571 CA 1.246 Z: 7 3.747 1.515 -0.002 0.548 1.000 0.667 CB 0.965 Z: 34 42.372 2.232 1.125 0.571 0.939 0.727 CB 1.546 34 residues pruned to eliminate duplicates Z: 23 35.662 2.070 1.084 0.793 0.955 0.500 CB 1.429 23 residues pruned to eliminate duplicates Z: 6 3.958 1.642 -0.272 0.668 1.000 1.000 O 1.267 6 residues pruned to eliminate duplicates Z: 8 10.708 1.788 0.692 0.780 1.000 0.857 CB 1.045 8 residues pruned to eliminate duplicates Z: 7 10.203 1.822 0.608 0.799 1.000 0.833 CA 1.095 7 residues pruned to eliminate duplicates Z: 7 6.279 1.881 0.269 0.736 0.833 0.500 CA 1.042 7 residues pruned to eliminate duplicates Z: 8 4.433 1.686 0.310 0.388 0.857 0.571 CB 0.997 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 0.983 1.281 -0.002 0.487 0.800 0.600 CB 0.435 ? Z: 14 39.235 2.243 0.995 0.888 1.000 0.769 CA 1.752 14 residues pruned to eliminate duplicates Z: 14 30.508 2.148 1.038 0.812 1.000 0.769 CA 1.473 14 residues pruned to eliminate duplicates Z: 60 72.872 2.358 1.132 0.665 0.932 0.610 CB 1.739 60 residues pruned to eliminate duplicates Z: 25 42.157 2.233 1.104 0.695 0.958 0.500 CB 1.600 26 residues pruned to eliminate duplicates Z: 15 34.446 2.115 1.008 0.896 1.000 0.643 CB 1.553 15 residues pruned to eliminate duplicates Z: 32 47.508 2.264 1.148 0.592 0.968 0.677 CB 1.660 32 residues pruned to eliminate duplicates Z: 13 36.156 2.323 1.356 0.790 1.000 0.750 CB 1.479 13 residues pruned to eliminate duplicates Z: 31 51.387 2.291 1.186 0.664 0.933 0.600 CB 1.724 31 residues pruned to eliminate duplicates Z: 15 28.556 2.139 1.173 0.758 0.929 0.500 CB 1.405 15 residues pruned to eliminate duplicates Z: 91 75.586 2.310 0.983 0.571 0.944 0.644 CB 1.720 91 residues pruned to eliminate duplicates Z: 30 41.540 2.266 1.246 0.630 0.862 0.448 CB 1.557 28 residues pruned to eliminate duplicates Z: 31 36.493 2.223 1.105 0.630 0.933 0.567 CB 1.350 32 residues pruned to eliminate duplicates Z: 10 21.737 2.112 1.103 0.746 0.889 0.667 CA 1.473 10 residues pruned to eliminate duplicates Z: 19 19.233 1.958 0.902 0.606 0.833 0.500 CB 1.321 19 residues pruned to eliminate duplicates Z: 14 13.243 2.002 0.623 0.509 0.769 0.308 CB 1.456 14 residues pruned to eliminate duplicates Z: 14 12.700 2.042 0.717 0.541 0.923 0.154 CB 1.045 14 residues pruned to eliminate duplicates Z: 20 13.926 2.083 0.598 0.480 0.789 0.474 CB 1.241 20 residues pruned to eliminate duplicates Z: 10 17.312 2.114 0.674 0.678 0.889 0.444 CB 1.559 10 residues pruned to eliminate duplicates Z: 8 12.130 2.134 0.656 0.742 0.714 0.143 CB 1.463 8 residues pruned to eliminate duplicates Z: 98 58.373 2.210 0.731 0.549 0.918 0.526 CB 1.611 98 residues pruned to eliminate duplicates Z: 13 17.818 2.003 0.888 0.629 0.917 0.250 CB 1.314 13 residues pruned to eliminate duplicates Z: 9 3.170 1.967 0.288 0.185 0.500 0.250 CB 1.292 9 residues pruned to eliminate duplicates Z: 10 5.654 1.898 0.829 0.320 0.667 0.000 CB 0.994 10 residues pruned to eliminate duplicates Z: 138 94.329 2.289 0.928 0.615 0.949 0.672 CA 1.726 138 residues pruned to eliminate duplicates Z: 33 43.580 2.169 1.118 0.651 0.938 0.625 CB 1.555 33 residues pruned to eliminate duplicates Z: 32 41.929 2.218 1.089 0.613 0.903 0.581 CB 1.618 32 residues pruned to eliminate duplicates Z: 44 35.371 2.112 1.020 0.506 0.860 0.535 CB 1.461 44 residues pruned to eliminate duplicates Z: 76 75.672 2.342 1.022 0.586 0.947 0.667 CB 1.794 76 residues pruned to eliminate duplicates Z: 17 30.542 2.244 0.972 0.559 1.000 0.812 CA 1.630 17 residues pruned to eliminate duplicates Z: 43 36.786 2.127 1.001 0.552 0.857 0.500 CB 1.479 43 residues pruned to eliminate duplicates Z: 22 28.426 2.102 0.972 0.552 0.905 0.619 CB 1.571 22 residues pruned to eliminate duplicates Z: 31 42.161 2.268 0.946 0.618 0.967 0.567 CB 1.614 31 residues pruned to eliminate duplicates Z: 82 77.118 2.322 1.090 0.625 0.938 0.691 CB 1.672 82 residues pruned to eliminate duplicates Z: 22 21.476 2.116 0.964 0.421 0.762 0.667 CB 1.607 22 residues pruned to eliminate duplicates Z: 21 28.911 2.246 1.016 0.519 0.850 0.650 CB 1.648 21 residues pruned to eliminate duplicates Z: 31 45.105 2.275 1.161 0.648 0.933 0.567 CB 1.564 31 residues pruned to eliminate duplicates Z: 19 37.540 2.335 1.252 0.647 0.889 0.278 CB 1.650 19 residues pruned to eliminate duplicates Z: 21 35.044 2.194 0.993 0.547 0.950 0.500 CB 1.800 21 residues pruned to eliminate duplicates Z: 70 67.660 2.307 0.976 0.621 0.942 0.725 CA 1.692 70 residues pruned to eliminate duplicates Z: 76 70.394 2.298 0.962 0.642 0.933 0.720 CB 1.691 76 residues pruned to eliminate duplicates Z: 60 63.385 2.306 0.905 0.625 0.966 0.729 CA 1.728 60 residues pruned to eliminate duplicates Z: 63 68.811 2.326 1.040 0.611 0.984 0.710 CA 1.685 63 residues pruned to eliminate duplicates Z: 52 60.466 2.358 1.013 0.601 0.961 0.667 CA 1.687 52 residues pruned to eliminate duplicates Z: 56 72.097 2.380 0.969 0.656 1.000 0.691 CA 1.795 56 residues pruned to eliminate duplicates Z: 61 70.720 2.371 1.035 0.604 0.967 0.767 CB 1.773 61 residues pruned to eliminate duplicates Z: 56 68.764 2.402 0.892 0.654 0.982 0.782 CA 1.801 56 residues pruned to eliminate duplicates Z: 69 69.718 2.356 0.971 0.614 0.941 0.691 CA 1.737 69 residues pruned to eliminate duplicates Z: 58 65.868 2.353 0.897 0.638 0.982 0.754 CB 1.748 58 residues pruned to eliminate duplicates Z: 62 63.165 2.341 0.957 0.597 0.934 0.689 CB 1.723 62 residues pruned to eliminate duplicates Z: 57 64.568 2.378 0.903 0.637 0.964 0.661 CA 1.739 57 residues pruned to eliminate duplicates Z: 56 67.293 2.384 0.976 0.653 0.964 0.727 CA 1.734 56 residues pruned to eliminate duplicates Z: 56 68.686 2.385 0.949 0.661 0.964 0.727 CA 1.781 56 residues pruned to eliminate duplicates Z: 77 72.788 2.273 1.088 0.614 0.934 0.711 CB 1.691 58 residues pruned to eliminate duplicates Z: 17 23.923 2.109 0.690 0.884 1.000 0.812 CA 1.212 17 residues pruned to eliminate duplicates Z: 64 71.351 2.359 1.094 0.601 0.952 0.730 CA 1.736 66 residues pruned to eliminate duplicates Z: 17 30.063 2.206 1.067 0.855 0.875 0.750 CA 1.390 17 residues pruned to eliminate duplicates Z: 61 74.094 2.387 1.052 0.638 0.983 0.683 CA 1.745 61 residues pruned to eliminate duplicates Z: 44 63.260 2.405 1.093 0.679 0.977 0.744 CA 1.664 44 residues pruned to eliminate duplicates Z: 56 69.171 2.375 0.987 0.648 0.982 0.745 CA 1.754 56 residues pruned to eliminate duplicates Z: 57 71.633 2.361 1.042 0.641 0.982 0.679 CA 1.772 57 residues pruned to eliminate duplicates Z: 57 62.890 2.373 0.887 0.635 0.946 0.750 CA 1.746 57 residues pruned to eliminate duplicates Z: 55 66.764 2.402 0.952 0.636 0.963 0.722 CA 1.772 55 residues pruned to eliminate duplicates Z: 55 72.241 2.392 0.978 0.661 1.000 0.685 CA 1.790 55 residues pruned to eliminate duplicates Z: 116 92.424 2.326 0.989 0.600 0.948 0.652 CB 1.787 116 residues pruned to eliminate duplicates Z: 56 72.522 2.403 0.996 0.658 0.982 0.709 CA 1.793 56 residues pruned to eliminate duplicates Z: 51 73.082 2.430 1.035 0.695 0.980 0.680 CA 1.785 51 residues pruned to eliminate duplicates Z: 67 65.380 2.342 0.974 0.584 0.955 0.576 CB 1.681 67 residues pruned to eliminate duplicates Z: 65 63.068 2.326 0.952 0.573 0.969 0.734 CA 1.671 65 residues pruned to eliminate duplicates Z: 56 73.509 2.389 1.046 0.657 0.982 0.764 CB 1.785 56 residues pruned to eliminate duplicates Z: 56 73.692 2.365 1.047 0.669 1.000 0.782 CA 1.755 56 residues pruned to eliminate duplicates Z: 64 72.846 2.367 1.018 0.614 0.984 0.698 CA 1.752 64 residues pruned to eliminate duplicates Z: 58 64.637 2.350 0.910 0.646 0.947 0.649 CB 1.757 58 residues pruned to eliminate duplicates Z: 68 61.365 2.326 0.894 0.568 0.940 0.687 CA 1.694 68 residues pruned to eliminate duplicates Z: 66 71.276 2.360 0.993 0.595 0.985 0.692 CA 1.743 66 residues pruned to eliminate duplicates Z: 66 70.200 2.354 1.001 0.592 0.985 0.677 CB 1.719 66 residues pruned to eliminate duplicates Z: 56 68.744 2.339 0.944 0.659 0.982 0.709 CA 1.792 56 residues pruned to eliminate duplicates Z: 79 64.423 2.264 0.946 0.594 0.910 0.628 CB 1.662 79 residues pruned to eliminate duplicates Z: 57 67.501 2.381 0.924 0.642 0.982 0.714 CB 1.756 57 residues pruned to eliminate duplicates Z: 67 69.154 2.332 1.029 0.585 0.955 0.742 CB 1.737 67 residues pruned to eliminate duplicates Z: 57 68.989 2.383 0.946 0.646 0.964 0.714 CB 1.799 57 residues pruned to eliminate duplicates Z: 75 70.093 2.305 0.909 0.637 0.959 0.703 CB 1.697 75 residues pruned to eliminate duplicates Z: 56 66.614 2.353 1.029 0.620 0.964 0.709 CB 1.743 56 residues pruned to eliminate duplicates Z: 56 70.018 2.370 1.012 0.651 0.982 0.745 CB 1.753 56 residues pruned to eliminate duplicates Z: 55 67.902 2.398 0.913 0.654 0.981 0.796 CB 1.778 55 residues pruned to eliminate duplicates Z: 66 68.877 2.351 1.002 0.591 0.954 0.600 CB 1.744 66 residues pruned to eliminate duplicates Z: 64 70.902 2.374 1.022 0.616 0.952 0.714 CB 1.750 64 residues pruned to eliminate duplicates Z: 65 71.000 2.357 1.021 0.596 0.969 0.734 CA 1.754 65 residues pruned to eliminate duplicates Z: 55 68.349 2.421 0.924 0.657 0.963 0.685 CB 1.792 55 residues pruned to eliminate duplicates Z: 56 61.264 2.338 0.865 0.638 0.964 0.745 CA 1.728 56 residues pruned to eliminate duplicates Z: 124 89.691 2.318 0.935 0.596 0.927 0.667 CA 1.774 124 residues pruned to eliminate duplicates Z: 67 58.774 2.288 0.881 0.567 0.924 0.667 CA 1.705 67 residues pruned to eliminate duplicates Z: 71 55.555 2.253 0.822 0.549 0.886 0.671 CA 1.742 71 residues pruned to eliminate duplicates Z: 50 33.596 2.009 0.625 0.527 0.898 0.571 CB 1.594 50 residues pruned to eliminate duplicates Z: 66 56.622 2.279 0.818 0.575 0.908 0.692 CB 1.739 66 residues pruned to eliminate duplicates Z: 14 15.174 2.167 1.085 0.305 0.769 0.462 CB 1.503 14 residues pruned to eliminate duplicates Z: 9 6.883 1.876 0.737 0.257 0.750 0.250 CB 1.316 9 residues pruned to eliminate duplicates Z: 12 8.680 2.075 0.946 0.303 0.818 0.364 CB 0.986 12 residues pruned to eliminate duplicates Z: 68 61.252 2.242 0.820 0.585 0.970 0.746 CA 1.742 68 residues pruned to eliminate duplicates Z: 65 60.163 2.295 0.772 0.594 0.938 0.766 CA 1.802 65 residues pruned to eliminate duplicates Z: 65 58.704 2.299 0.773 0.563 0.969 0.703 CB 1.749 65 residues pruned to eliminate duplicates Z: 64 56.385 2.277 0.728 0.583 0.952 0.714 CB 1.751 64 residues pruned to eliminate duplicates Z: 66 62.225 2.291 0.851 0.569 0.954 0.708 CA 1.785 66 residues pruned to eliminate duplicates Z: 65 59.757 2.294 0.804 0.580 0.953 0.750 CB 1.753 65 residues pruned to eliminate duplicates Z: 60 62.297 2.271 0.885 0.611 0.966 0.712 CA 1.765 60 residues pruned to eliminate duplicates Z: 67 56.786 2.270 0.849 0.559 0.909 0.682 CB 1.729 67 residues pruned to eliminate duplicates Z: 66 58.729 2.278 0.795 0.584 0.923 0.723 CB 1.779 66 residues pruned to eliminate duplicates Z: 60 58.960 2.252 0.896 0.597 0.932 0.780 CA 1.758 60 residues pruned to eliminate duplicates Z: 120 92.813 2.332 0.920 0.615 0.966 0.723 CA 1.764 107 residues pruned to eliminate duplicates Z: 7 8.352 1.609 1.315 0.429 1.000 0.667 C 0.985 7 residues pruned to eliminate duplicates Z: 69 54.220 2.253 0.797 0.546 0.926 0.691 CB 1.675 69 residues pruned to eliminate duplicates Z: 79 56.234 2.212 0.780 0.576 0.923 0.641 CB 1.629 79 residues pruned to eliminate duplicates Z: 66 59.912 2.269 0.812 0.575 0.954 0.677 CB 1.763 66 residues pruned to eliminate duplicates Z: 62 60.836 2.278 0.917 0.591 0.951 0.689 CB 1.719 62 residues pruned to eliminate duplicates Z: 66 62.874 2.299 0.871 0.586 0.954 0.600 CB 1.751 66 residues pruned to eliminate duplicates Z: 65 65.569 2.291 0.908 0.594 0.953 0.719 CB 1.798 65 residues pruned to eliminate duplicates Z: 63 59.504 2.267 0.876 0.571 0.968 0.645 CB 1.715 63 residues pruned to eliminate duplicates Z: 66 61.639 2.297 0.894 0.570 0.923 0.646 CB 1.779 66 residues pruned to eliminate duplicates Z: 67 59.342 2.259 0.919 0.559 0.909 0.591 CB 1.751 67 residues pruned to eliminate duplicates Z: 60 65.449 2.263 0.928 0.617 0.983 0.644 CA 1.778 60 residues pruned to eliminate duplicates Z: 62 60.567 2.275 0.921 0.598 0.934 0.689 CB 1.729 62 residues pruned to eliminate duplicates Z: 68 61.535 2.242 0.929 0.570 0.940 0.716 CB 1.727 68 residues pruned to eliminate duplicates Z: 60 62.888 2.263 0.944 0.606 0.966 0.610 CA 1.742 60 residues pruned to eliminate duplicates Z: 66 64.939 2.284 0.930 0.595 0.954 0.662 CA 1.750 66 residues pruned to eliminate duplicates Z: 66 62.848 2.294 0.923 0.565 0.938 0.646 CB 1.769 66 residues pruned to eliminate duplicates Z: 60 63.056 2.270 0.902 0.627 0.932 0.695 CB 1.809 60 residues pruned to eliminate duplicates Z: 78 53.591 2.188 0.780 0.544 0.909 0.649 CB 1.652 78 residues pruned to eliminate duplicates Z: 64 58.060 2.237 0.932 0.566 0.921 0.667 CB 1.725 64 residues pruned to eliminate duplicates Z: 66 61.084 2.276 0.909 0.574 0.954 0.631 CB 1.702 66 residues pruned to eliminate duplicates Z: 119 86.877 2.307 0.916 0.604 0.932 0.644 CB 1.758 119 residues pruned to eliminate duplicates Z: 60 66.306 2.275 1.012 0.596 0.966 0.610 CA 1.781 60 residues pruned to eliminate duplicates Z: 66 68.012 2.297 0.987 0.600 0.938 0.754 CB 1.791 66 residues pruned to eliminate duplicates Z: 64 67.664 2.309 0.922 0.595 0.984 0.746 CA 1.783 64 residues pruned to eliminate duplicates Z: 64 64.222 2.254 0.949 0.581 0.952 0.619 CB 1.788 64 residues pruned to eliminate duplicates Z: 58 65.304 2.319 1.006 0.606 0.947 0.684 CB 1.774 58 residues pruned to eliminate duplicates Z: 67 61.558 2.252 0.892 0.575 0.970 0.682 CA 1.706 67 residues pruned to eliminate duplicates Z: 59 62.283 2.264 0.932 0.623 0.948 0.741 CA 1.756 59 residues pruned to eliminate duplicates Z: 65 68.514 2.294 0.940 0.599 0.984 0.688 CB 1.780 65 residues pruned to eliminate duplicates Z: 50 50.906 2.187 0.790 0.622 0.980 0.653 CA 1.691 50 residues pruned to eliminate duplicates Z: 66 64.792 2.278 0.952 0.570 0.954 0.677 CB 1.771 66 residues pruned to eliminate duplicates Z: 66 65.485 2.293 0.938 0.583 0.954 0.738 CA 1.770 66 residues pruned to eliminate duplicates Z: 57 55.608 2.255 0.794 0.623 0.911 0.661 CB 1.795 57 residues pruned to eliminate duplicates Z: 65 62.818 2.291 0.887 0.572 0.953 0.594 CB 1.777 65 residues pruned to eliminate duplicates Z: 65 67.418 2.291 0.989 0.597 0.953 0.641 CB 1.770 65 residues pruned to eliminate duplicates Z: 65 62.915 2.280 0.897 0.580 0.953 0.625 CB 1.767 65 residues pruned to eliminate duplicates Z: 67 66.051 2.257 0.941 0.589 0.985 0.758 CA 1.731 67 residues pruned to eliminate duplicates Z: 66 64.597 2.281 0.940 0.586 0.938 0.646 CB 1.776 66 residues pruned to eliminate duplicates Z: 69 60.589 2.263 0.870 0.564 0.941 0.691 CB 1.733 69 residues pruned to eliminate duplicates Z: 78 70.741 2.244 1.024 0.606 0.935 0.636 CB 1.716 78 residues pruned to eliminate duplicates Z: 65 65.736 2.289 0.913 0.590 0.969 0.734 CB 1.778 65 residues pruned to eliminate duplicates Z: 79 66.686 2.263 0.909 0.563 0.936 0.641 CB 1.757 79 residues pruned to eliminate duplicates Z: 66 65.833 2.299 0.946 0.577 0.954 0.662 CB 1.776 66 residues pruned to eliminate duplicates Z: 65 64.571 2.286 0.916 0.590 0.969 0.719 CB 1.744 65 residues pruned to eliminate duplicates Z: 64 60.057 2.238 0.972 0.610 0.921 0.651 CA 1.678 64 residues pruned to eliminate duplicates Z: 128 91.926 2.328 0.955 0.603 0.937 0.764 CA 1.735 128 residues pruned to eliminate duplicates Z: 10 8.007 1.827 0.671 0.297 0.889 0.556 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 8.657 1.929 0.845 0.314 0.778 0.444 CB 1.280 10 residues pruned to eliminate duplicates Z: 10 5.191 1.575 0.696 0.366 0.889 0.778 CA 0.842 10 residues pruned to eliminate duplicates Z: 15 10.550 1.975 0.567 0.251 0.857 0.214 CA 1.415 15 residues pruned to eliminate duplicates Z: 9 6.774 2.038 0.775 0.306 0.750 0.375 CB 1.095 9 residues pruned to eliminate duplicates Z: 64 67.786 2.361 0.959 0.606 0.952 0.778 CB 1.753 64 residues pruned to eliminate duplicates Z: 65 70.635 2.361 0.987 0.611 0.969 0.766 CA 1.748 55 residues pruned to eliminate duplicates Z: 6 6.134 1.551 0.812 0.382 1.000 0.600 C 1.106 6 residues pruned to eliminate duplicates Z: 37 44.404 2.118 1.195 0.685 0.889 0.639 CB 1.511 36 residues pruned to eliminate duplicates Z: 6 4.310 1.963 1.198 0.282 0.400 0.200 CA 1.429 6 residues pruned to eliminate duplicates Z: 77 48.419 2.170 0.797 0.527 0.908 0.658 CB 1.527 77 residues pruned to eliminate duplicates Z: 63 52.674 2.263 0.872 0.588 0.935 0.758 CB 1.553 63 residues pruned to eliminate duplicates Z: 62 54.064 2.237 0.863 0.601 0.967 0.738 CB 1.560 62 residues pruned to eliminate duplicates Z: 60 53.825 2.247 0.790 0.628 0.983 0.814 CB 1.571 60 residues pruned to eliminate duplicates Z: 70 57.245 2.249 0.904 0.581 0.942 0.768 CB 1.581 70 residues pruned to eliminate duplicates Z: 60 56.804 2.263 0.928 0.620 0.949 0.746 CB 1.595 60 residues pruned to eliminate duplicates Z: 69 53.206 2.228 0.869 0.574 0.941 0.691 CB 1.533 69 residues pruned to eliminate duplicates Z: 56 53.983 2.241 0.866 0.668 0.964 0.782 CB 1.547 56 residues pruned to eliminate duplicates Z: 64 58.831 2.266 0.906 0.596 0.968 0.730 CB 1.617 64 residues pruned to eliminate duplicates Z: 75 49.070 2.141 0.825 0.532 0.946 0.689 CB 1.495 75 residues pruned to eliminate duplicates Z: 41 40.155 2.135 0.969 0.580 0.900 0.675 CB 1.554 41 residues pruned to eliminate duplicates Z: 57 55.204 2.268 0.867 0.661 0.964 0.732 CB 1.556 57 residues pruned to eliminate duplicates Z: 59 59.829 2.252 0.944 0.644 0.983 0.793 CB 1.597 59 residues pruned to eliminate duplicates Z: 63 60.801 2.271 0.991 0.615 0.984 0.774 CB 1.557 63 residues pruned to eliminate duplicates Z: 56 54.494 2.232 0.951 0.654 0.964 0.800 CB 1.518 56 residues pruned to eliminate duplicates Z: 58 55.817 2.248 0.920 0.651 0.965 0.754 CB 1.543 58 residues pruned to eliminate duplicates Z: 63 56.385 2.217 1.011 0.590 0.935 0.629 CB 1.575 63 residues pruned to eliminate duplicates Z: 39 43.467 2.202 1.056 0.629 0.895 0.737 CB 1.542 39 residues pruned to eliminate duplicates Z: 66 59.164 2.220 0.954 0.622 0.985 0.723 CB 1.532 66 residues pruned to eliminate duplicates Z: 56 56.271 2.249 0.895 0.659 1.000 0.745 CB 1.535 55 residues pruned to eliminate duplicates Z: 17 25.922 1.996 0.889 0.880 0.938 0.812 CB 1.328 17 residues pruned to eliminate duplicates Z: 72 56.126 2.208 0.949 0.559 0.944 0.746 CB 1.549 72 residues pruned to eliminate duplicates Z: 65 54.056 2.259 0.889 0.591 0.938 0.797 CB 1.548 65 residues pruned to eliminate duplicates Z: 57 56.035 2.269 0.909 0.646 0.982 0.661 CB 1.536 57 residues pruned to eliminate duplicates Z: 70 57.391 2.239 0.972 0.588 0.928 0.710 CB 1.552 70 residues pruned to eliminate duplicates Z: 69 53.721 2.202 0.915 0.591 0.956 0.750 CB 1.482 69 residues pruned to eliminate duplicates Z: 63 55.759 2.237 0.958 0.590 0.935 0.677 CB 1.586 63 residues pruned to eliminate duplicates Z: 55 58.798 2.279 0.916 0.669 1.000 0.778 CB 1.567 55 residues pruned to eliminate duplicates Z: 57 51.520 2.207 0.901 0.637 0.964 0.732 CB 1.496 57 residues pruned to eliminate duplicates Z: 64 63.031 2.289 1.036 0.603 0.968 0.762 CB 1.596 64 residues pruned to eliminate duplicates Z: 55 57.314 2.255 0.932 0.671 0.981 0.778 CB 1.557 55 residues pruned to eliminate duplicates Z: 55 57.136 2.248 1.013 0.657 0.981 0.722 CB 1.513 55 residues pruned to eliminate duplicates Z: 66 57.892 2.228 0.954 0.596 0.985 0.677 CB 1.528 66 residues pruned to eliminate duplicates Z: 61 57.990 2.232 0.957 0.620 0.983 0.750 CB 1.557 61 residues pruned to eliminate duplicates Z: 64 57.731 2.237 0.893 0.610 0.968 0.730 CB 1.598 64 residues pruned to eliminate duplicates Z: 69 58.367 2.258 0.917 0.593 0.956 0.779 CB 1.566 69 residues pruned to eliminate duplicates Z: 53 46.242 2.158 0.955 0.604 0.923 0.692 CB 1.491 53 residues pruned to eliminate duplicates Z: 43 55.472 2.258 1.080 0.698 0.976 0.762 CB 1.559 43 residues pruned to eliminate duplicates Z: 55 55.062 2.187 1.055 0.645 0.944 0.722 CB 1.542 16 residues pruned to eliminate duplicates Z: 6 5.745 1.594 1.040 0.476 0.800 0.400 N 1.012 6 residues pruned to eliminate duplicates Z: 27 42.045 2.143 1.143 0.710 1.000 0.538 CB 1.484 27 residues pruned to eliminate duplicates Z: 19 32.969 2.184 1.189 0.667 0.889 0.556 CA 1.567 19 residues pruned to eliminate duplicates Z: 96 65.293 2.226 0.875 0.587 0.937 0.642 CB 1.576 83 residues pruned to eliminate duplicates Z: 14 35.390 2.187 0.984 0.819 1.000 0.308 CA 1.715 14 residues pruned to eliminate duplicates Z: 26 31.389 2.154 0.725 0.670 0.880 0.400 CB 1.641 26 residues pruned to eliminate duplicates Z: 27 33.266 2.093 0.909 0.663 0.923 0.385 CB 1.521 27 residues pruned to eliminate duplicates Z: 103 63.213 2.201 0.877 0.584 0.912 0.608 CB 1.533 103 residues pruned to eliminate duplicates Z: 15 39.282 2.105 1.097 0.902 1.000 0.786 CA 1.697 15 residues pruned to eliminate duplicates Z: 40 45.894 2.103 1.006 0.668 0.949 0.615 CB 1.572 40 residues pruned to eliminate duplicates Z: 15 36.084 2.109 1.120 0.835 0.929 0.571 CB 1.740 15 residues pruned to eliminate duplicates Z: 45 41.678 2.189 0.924 0.625 0.886 0.545 CB 1.496 45 residues pruned to eliminate duplicates Z: 53 33.165 2.034 0.876 0.498 0.808 0.404 CB 1.495 53 residues pruned to eliminate duplicates Z: 34 32.226 2.103 0.799 0.610 0.879 0.606 CB 1.520 34 residues pruned to eliminate duplicates Z: 38 29.901 2.068 0.724 0.573 0.865 0.541 CB 1.486 38 residues pruned to eliminate duplicates Z: 38 41.298 2.174 0.990 0.666 0.892 0.622 CB 1.508 38 residues pruned to eliminate duplicates Z: 39 40.050 2.145 0.953 0.651 0.868 0.579 CB 1.552 39 residues pruned to eliminate duplicates Z: 13 11.616 1.981 0.274 0.607 0.833 0.583 CB 1.440 13 residues pruned to eliminate duplicates Z: 36 39.245 2.152 0.921 0.692 0.886 0.600 CB 1.520 36 residues pruned to eliminate duplicates Z: 17 12.254 1.923 0.419 0.538 0.812 0.438 CA 1.332 17 residues pruned to eliminate duplicates Z: 13 11.933 1.981 0.523 0.635 0.750 0.417 CA 1.342 13 residues pruned to eliminate duplicates Z: 11 14.108 1.986 0.584 0.712 0.800 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 40 39.647 2.119 0.955 0.633 0.872 0.538 CB 1.551 39 residues pruned to eliminate duplicates Z: 7 7.376 1.622 0.883 0.486 0.833 0.667 CA 1.200 7 residues pruned to eliminate duplicates Z: 67 56.553 2.190 1.003 0.612 0.939 0.742 CB 1.519 67 residues pruned to eliminate duplicates Z: 64 51.953 2.177 0.938 0.593 0.921 0.683 CB 1.542 64 residues pruned to eliminate duplicates Z: 70 60.761 2.247 0.959 0.592 0.971 0.681 CB 1.567 70 residues pruned to eliminate duplicates Z: 65 55.304 2.222 0.953 0.600 0.953 0.719 CB 1.519 65 residues pruned to eliminate duplicates Z: 65 55.009 2.241 0.884 0.602 0.969 0.719 CB 1.525 65 residues pruned to eliminate duplicates Z: 66 55.050 2.240 0.883 0.587 0.954 0.677 CB 1.561 66 residues pruned to eliminate duplicates Z: 55 60.377 2.253 1.043 0.661 1.000 0.704 CB 1.538 55 residues pruned to eliminate duplicates Z: 62 56.083 2.238 0.902 0.610 0.967 0.738 CB 1.572 62 residues pruned to eliminate duplicates Z: 78 56.944 2.203 0.812 0.605 0.948 0.727 CB 1.552 78 residues pruned to eliminate duplicates Z: 60 60.489 2.263 1.001 0.634 0.983 0.729 CB 1.560 60 residues pruned to eliminate duplicates Z: 8 9.879 2.035 0.888 0.197 1.000 0.429 CB 1.394 8 residues pruned to eliminate duplicates Z: 10 13.160 2.035 0.778 0.305 1.000 0.333 CB 1.506 10 residues pruned to eliminate duplicates Z: 11 13.987 2.068 0.959 0.302 0.900 0.500 CB 1.514 11 residues pruned to eliminate duplicates Z: 13 9.495 1.894 0.824 0.310 0.667 0.250 CB 1.470 13 residues pruned to eliminate duplicates Z: 14 8.621 1.953 0.743 0.305 0.692 0.308 CB 1.260 14 residues pruned to eliminate duplicates Z: 70 58.594 2.262 0.845 0.566 0.971 0.638 CB 1.633 70 residues pruned to eliminate duplicates Z: 67 57.961 2.284 0.828 0.585 0.955 0.742 CB 1.650 67 residues pruned to eliminate duplicates Z: 11 12.641 1.930 1.087 0.315 0.900 0.400 CB 1.353 11 residues pruned to eliminate duplicates Z: 11 8.286 2.072 0.597 0.275 0.700 0.200 CB 1.459 11 residues pruned to eliminate duplicates Z: 67 60.824 2.277 0.844 0.590 0.955 0.727 CB 1.714 67 residues pruned to eliminate duplicates Z: 67 60.653 2.269 0.851 0.586 0.955 0.742 CB 1.714 67 residues pruned to eliminate duplicates Z: 60 58.072 2.282 0.800 0.613 0.966 0.729 CB 1.712 60 residues pruned to eliminate duplicates Z: 66 59.085 2.289 0.853 0.587 0.938 0.754 CB 1.693 66 residues pruned to eliminate duplicates Z: 103 61.005 2.173 0.865 0.577 0.892 0.627 CB 1.551 103 residues pruned to eliminate duplicates Z: 59 61.254 2.314 0.830 0.631 0.983 0.724 CB 1.709 59 residues pruned to eliminate duplicates Z: 59 58.715 2.279 0.796 0.645 0.966 0.776 CB 1.703 59 residues pruned to eliminate duplicates Z: 59 60.495 2.300 0.904 0.625 0.948 0.759 CB 1.701 59 residues pruned to eliminate duplicates Z: 59 58.735 2.292 0.854 0.603 0.983 0.776 CB 1.675 59 residues pruned to eliminate duplicates Z: 61 59.866 2.289 0.842 0.610 0.983 0.767 CB 1.679 61 residues pruned to eliminate duplicates Z: 70 56.238 2.213 0.881 0.601 0.928 0.696 CB 1.592 70 residues pruned to eliminate duplicates Z: 66 57.701 2.295 0.769 0.604 0.954 0.723 CB 1.675 66 residues pruned to eliminate duplicates Z: 61 58.727 2.286 0.793 0.610 0.983 0.700 CB 1.695 61 residues pruned to eliminate duplicates Z: 62 56.726 2.280 0.830 0.605 0.951 0.639 CB 1.656 62 residues pruned to eliminate duplicates Z: 64 58.225 2.278 0.824 0.575 0.968 0.651 CB 1.696 64 residues pruned to eliminate duplicates Z: 62 58.075 2.295 0.848 0.604 0.951 0.689 CB 1.670 62 residues pruned to eliminate duplicates Z: 59 62.077 2.288 0.930 0.641 0.966 0.724 CB 1.675 59 residues pruned to eliminate duplicates Z: 68 60.555 2.267 0.895 0.587 0.970 0.642 CB 1.633 68 residues pruned to eliminate duplicates Z: 60 55.251 2.268 0.865 0.591 0.949 0.661 CB 1.642 60 residues pruned to eliminate duplicates Z: 60 58.456 2.273 0.891 0.622 0.949 0.695 CB 1.663 60 residues pruned to eliminate duplicates Z: 60 58.569 2.273 0.894 0.622 0.949 0.661 CB 1.663 60 residues pruned to eliminate duplicates Z: 116 89.545 2.322 1.005 0.605 0.965 0.687 CB 1.682 64 residues pruned to eliminate duplicates Z: 17 26.605 1.991 0.980 0.851 1.000 0.625 CB 1.249 17 residues pruned to eliminate duplicates Z: 62 56.599 2.280 0.873 0.586 0.967 0.672 CB 1.616 62 residues pruned to eliminate duplicates Z: 65 62.449 2.316 0.917 0.599 0.953 0.688 CB 1.679 67 residues pruned to eliminate duplicates Z: 14 30.171 2.128 1.002 0.932 1.000 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 66 60.408 2.302 0.819 0.583 0.985 0.754 CB 1.679 66 residues pruned to eliminate duplicates Z: 59 62.683 2.310 0.962 0.632 0.948 0.724 CB 1.691 59 residues pruned to eliminate duplicates Z: 63 55.330 2.248 0.777 0.596 0.984 0.710 CB 1.631 63 residues pruned to eliminate duplicates Z: 104 64.685 2.180 0.920 0.604 0.932 0.650 CB 1.479 104 residues pruned to eliminate duplicates Z: 33 42.234 2.219 0.941 0.740 0.938 0.812 CB 1.491 33 residues pruned to eliminate duplicates Z: 63 55.405 2.249 0.829 0.596 0.935 0.645 CB 1.667 63 residues pruned to eliminate duplicates Z: 61 57.977 2.255 0.838 0.598 0.983 0.667 CB 1.673 61 residues pruned to eliminate duplicates Z: 62 60.161 2.284 0.881 0.602 0.967 0.672 CB 1.682 62 residues pruned to eliminate duplicates Z: 62 59.563 2.299 0.875 0.594 0.967 0.754 CB 1.672 62 residues pruned to eliminate duplicates Z: 114 83.637 2.304 0.934 0.597 0.938 0.619 CB 1.716 114 residues pruned to eliminate duplicates Z: 64 61.957 2.311 0.888 0.608 0.968 0.667 CB 1.667 64 residues pruned to eliminate duplicates Z: 60 59.507 2.256 0.841 0.633 0.983 0.678 CB 1.674 60 residues pruned to eliminate duplicates Z: 66 57.915 2.290 0.823 0.583 0.969 0.662 CB 1.640 66 residues pruned to eliminate duplicates Z: 61 57.724 2.252 0.788 0.614 0.967 0.667 CB 1.719 61 residues pruned to eliminate duplicates Z: 65 57.752 2.307 0.805 0.586 0.953 0.688 CB 1.675 65 residues pruned to eliminate duplicates Z: 60 59.183 2.271 0.860 0.614 0.983 0.712 CB 1.665 60 residues pruned to eliminate duplicates Z: 64 63.318 2.318 0.909 0.604 0.952 0.698 CB 1.716 64 residues pruned to eliminate duplicates Z: 68 59.683 2.256 0.830 0.589 0.955 0.701 CB 1.697 68 residues pruned to eliminate duplicates Z: 69 52.010 2.224 0.768 0.579 0.926 0.632 CB 1.605 69 residues pruned to eliminate duplicates Z: 62 56.586 2.245 0.809 0.606 0.967 0.672 CB 1.668 62 residues pruned to eliminate duplicates Z: 61 60.680 2.281 0.847 0.637 0.983 0.650 CB 1.663 61 residues pruned to eliminate duplicates Z: 63 58.513 2.240 0.861 0.607 0.984 0.661 CB 1.637 63 residues pruned to eliminate duplicates Z: 50 47.430 2.164 0.735 0.638 1.000 0.673 CB 1.585 50 residues pruned to eliminate duplicates Z: 81 59.361 2.229 0.827 0.581 0.938 0.637 CB 1.609 81 residues pruned to eliminate duplicates Z: 122 83.860 2.293 0.879 0.593 0.959 0.702 CB 1.688 122 residues pruned to eliminate duplicates Z: 66 61.689 2.299 0.838 0.604 0.969 0.738 CB 1.693 66 residues pruned to eliminate duplicates Z: 61 54.071 2.273 0.695 0.617 0.967 0.750 CB 1.678 61 residues pruned to eliminate duplicates Z: 60 60.252 2.273 0.834 0.655 0.966 0.780 CB 1.685 60 residues pruned to eliminate duplicates Z: 66 65.278 2.284 0.976 0.625 0.954 0.723 CB 1.672 66 residues pruned to eliminate duplicates Z: 56 65.824 2.360 0.865 0.632 0.982 0.691 CB 1.815 56 residues pruned to eliminate duplicates Z: 66 68.330 2.342 0.961 0.583 0.969 0.662 CB 1.759 66 residues pruned to eliminate duplicates Z: 78 70.965 2.328 1.031 0.569 0.935 0.649 CB 1.711 78 residues pruned to eliminate duplicates Z: 66 65.559 2.345 0.969 0.574 0.954 0.677 CB 1.718 66 residues pruned to eliminate duplicates Z: 51 46.734 2.232 0.707 0.552 0.960 0.720 CB 1.719 51 residues pruned to eliminate duplicates Z: 66 66.863 2.348 0.982 0.562 0.969 0.677 CB 1.732 66 residues pruned to eliminate duplicates Z: 113 85.800 2.315 0.951 0.608 0.946 0.696 CB 1.712 60 residues pruned to eliminate duplicates Z: 14 30.041 2.253 0.730 0.913 1.000 0.923 CB 1.512 14 residues pruned to eliminate duplicates Z: 65 70.359 2.377 1.024 0.584 0.953 0.719 CB 1.769 65 residues pruned to eliminate duplicates Z: 15 25.731 2.124 0.701 0.906 0.929 0.714 CB 1.457 15 residues pruned to eliminate duplicates Z: 65 70.591 2.374 0.997 0.583 0.969 0.656 CB 1.774 65 residues pruned to eliminate duplicates Z: 69 69.432 2.347 1.019 0.556 0.956 0.647 CB 1.760 69 residues pruned to eliminate duplicates Z: 70 65.451 2.362 0.960 0.552 0.942 0.681 CB 1.718 70 residues pruned to eliminate duplicates Z: 65 67.729 2.397 0.959 0.585 0.938 0.672 CB 1.772 65 residues pruned to eliminate duplicates Z: 14 20.298 2.100 0.835 0.670 0.769 0.308 CA 1.623 14 residues pruned to eliminate duplicates Z: 63 65.583 2.322 0.979 0.587 0.968 0.694 CB 1.723 63 residues pruned to eliminate duplicates Z: 61 69.095 2.378 0.994 0.590 0.950 0.633 CB 1.816 61 residues pruned to eliminate duplicates Z: 102 74.944 2.276 1.013 0.573 0.921 0.574 CB 1.647 102 residues pruned to eliminate duplicates Z: 64 67.091 2.385 0.998 0.582 0.937 0.651 CB 1.751 64 residues pruned to eliminate duplicates Z: 58 68.113 2.323 1.001 0.622 0.982 0.684 CB 1.761 58 residues pruned to eliminate duplicates Z: 80 62.321 2.236 1.050 0.541 0.873 0.582 CB 1.682 80 residues pruned to eliminate duplicates Z: 65 64.316 2.380 0.932 0.579 0.938 0.641 CB 1.728 65 residues pruned to eliminate duplicates Z: 113 84.162 2.325 0.891 0.601 0.955 0.670 CB 1.721 113 residues pruned to eliminate duplicates Z: 82 68.938 2.291 1.034 0.575 0.926 0.667 CB 1.651 82 residues pruned to eliminate duplicates Z: 89 77.194 2.314 1.049 0.593 0.920 0.659 CB 1.725 88 residues pruned to eliminate duplicates Z: 20 29.143 2.073 0.951 0.628 0.947 0.579 CA 1.546 20 residues pruned to eliminate duplicates Z: 63 70.273 2.395 0.983 0.600 0.952 0.726 CB 1.796 63 residues pruned to eliminate duplicates Z: 63 64.831 2.368 0.973 0.593 0.935 0.661 CB 1.724 63 residues pruned to eliminate duplicates Z: 73 63.394 2.297 1.032 0.520 0.917 0.639 CB 1.712 73 residues pruned to eliminate duplicates Z: 123 91.940 2.332 0.984 0.615 0.943 0.721 CB 1.712 123 residues pruned to eliminate duplicates Z: 80 70.113 2.337 1.068 0.552 0.924 0.620 CB 1.679 80 residues pruned to eliminate duplicates Z: 70 65.261 2.337 0.972 0.564 0.942 0.725 CB 1.701 70 residues pruned to eliminate duplicates Z: 71 70.269 2.337 1.052 0.546 0.943 0.671 CB 1.777 71 residues pruned to eliminate duplicates Z: 60 70.344 2.354 0.981 0.627 1.000 0.712 CB 1.743 60 residues pruned to eliminate duplicates Z: 61 64.359 2.346 0.913 0.595 0.950 0.633 CB 1.779 61 residues pruned to eliminate duplicates Z: 64 67.077 2.311 0.987 0.585 0.952 0.698 CB 1.780 64 residues pruned to eliminate duplicates Z: 65 68.736 2.376 1.034 0.584 0.922 0.688 CB 1.779 65 residues pruned to eliminate duplicates Z: 62 64.611 2.325 0.949 0.593 0.934 0.656 CB 1.788 62 residues pruned to eliminate duplicates Z: 54 49.695 2.210 0.857 0.591 0.943 0.698 CB 1.615 54 residues pruned to eliminate duplicates Z: 100 77.225 2.311 1.041 0.584 0.919 0.667 CB 1.652 100 residues pruned to eliminate duplicates Z: 61 72.785 2.390 1.037 0.602 0.967 0.650 CB 1.812 61 residues pruned to eliminate duplicates Z: 125 86.497 2.308 0.886 0.608 0.944 0.669 CB 1.708 125 residues pruned to eliminate duplicates Z: 81 75.040 2.313 1.138 0.578 0.925 0.688 CB 1.702 81 residues pruned to eliminate duplicates Z: 98 75.993 2.276 1.014 0.604 0.918 0.629 CB 1.662 98 residues pruned to eliminate duplicates Z: 104 75.481 2.266 0.981 0.616 0.922 0.660 CB 1.610 104 residues pruned to eliminate duplicates Z: 99 71.639 2.258 1.062 0.569 0.898 0.653 CB 1.618 99 residues pruned to eliminate duplicates Z: 36 39.804 2.182 1.035 0.660 0.829 0.514 CB 1.577 36 residues pruned to eliminate duplicates Z: 38 41.904 2.170 1.028 0.628 0.892 0.541 CB 1.557 38 residues pruned to eliminate duplicates Z: 26 43.169 2.288 1.128 0.700 0.920 0.560 CB 1.605 26 residues pruned to eliminate duplicates Z: 30 34.402 2.189 1.177 0.621 0.862 0.517 CB 1.386 30 residues pruned to eliminate duplicates Z: 43 43.801 2.226 0.985 0.585 0.905 0.500 CB 1.558 43 residues pruned to eliminate duplicates Z: 11 28.297 2.217 1.325 0.696 0.900 0.800 CB 1.614 11 residues pruned to eliminate duplicates Z: 36 36.414 2.132 0.915 0.605 0.886 0.629 CB 1.541 36 residues pruned to eliminate duplicates Z: 36 41.015 2.224 0.854 0.689 0.914 0.429 CB 1.547 36 residues pruned to eliminate duplicates Z: 24 19.381 2.099 0.803 0.467 0.870 0.522 CB 1.270 24 residues pruned to eliminate duplicates Z: 76 67.535 2.324 1.007 0.596 0.893 0.587 CB 1.708 76 residues pruned to eliminate duplicates Z: 22 27.701 2.181 1.017 0.631 0.810 0.429 CB 1.500 22 residues pruned to eliminate duplicates Z: 37 39.588 2.146 0.996 0.660 0.889 0.694 CB 1.494 37 residues pruned to eliminate duplicates Z: 35 33.297 2.147 0.893 0.551 0.882 0.353 CB 1.515 22 residues pruned to eliminate duplicates Z: 14 34.351 2.104 1.054 0.883 1.000 0.615 CB 1.594 14 residues pruned to eliminate duplicates Z: 37 26.364 2.100 0.866 0.498 0.806 0.417 CB 1.394 37 residues pruned to eliminate duplicates Z: 28 31.064 2.132 1.001 0.626 0.926 0.593 CB 1.344 28 residues pruned to eliminate duplicates Z: 41 34.548 2.210 0.866 0.518 0.850 0.475 CB 1.532 41 residues pruned to eliminate duplicates Z: 101 74.487 2.308 0.943 0.598 0.920 0.610 CB 1.644 46 residues pruned to eliminate duplicates Z: 14 31.547 2.178 1.018 0.866 1.000 0.538 CB 1.457 14 residues pruned to eliminate duplicates Z: 27 39.908 2.243 1.107 0.705 0.923 0.769 CB 1.489 27 residues pruned to eliminate duplicates Z: 31 26.844 2.101 0.809 0.578 0.833 0.500 CB 1.436 31 residues pruned to eliminate duplicates Z: 39 35.606 2.107 0.918 0.613 0.895 0.579 CB 1.435 39 residues pruned to eliminate duplicates Z: 24 28.982 2.139 0.766 0.638 0.913 0.435 CA 1.540 24 residues pruned to eliminate duplicates Z: 35 33.093 2.129 0.926 0.662 0.882 0.588 CB 1.350 35 residues pruned to eliminate duplicates Z: 38 27.245 2.140 0.722 0.505 0.811 0.405 CB 1.492 38 residues pruned to eliminate duplicates Z: 32 26.303 2.081 0.747 0.531 0.839 0.484 CB 1.503 32 residues pruned to eliminate duplicates Z: 23 16.270 2.028 0.592 0.456 0.909 0.273 CB 1.236 23 residues pruned to eliminate duplicates Z: 43 35.827 2.105 1.020 0.595 0.881 0.429 CB 1.348 43 residues pruned to eliminate duplicates Z: 15 15.943 1.860 0.682 0.537 0.857 0.500 CA 1.533 15 residues pruned to eliminate duplicates Z: 19 17.550 1.815 0.758 0.671 0.778 0.444 CB 1.423 19 residues pruned to eliminate duplicates Z: 83 62.444 2.280 0.965 0.553 0.890 0.512 CB 1.642 83 residues pruned to eliminate duplicates Z: 18 19.107 2.105 0.797 0.487 0.882 0.647 CB 1.407 18 residues pruned to eliminate duplicates Z: 44 45.688 2.197 1.116 0.643 0.907 0.558 CB 1.445 44 residues pruned to eliminate duplicates Z: 10 11.095 2.131 0.532 0.361 0.889 0.333 CA 1.480 10 residues pruned to eliminate duplicates Z: 10 9.519 2.140 0.843 0.351 0.778 0.444 CB 1.215 10 residues pruned to eliminate duplicates Z: 21 15.553 2.095 0.746 0.435 0.800 0.400 CB 1.271 21 residues pruned to eliminate duplicates Z: 16 13.539 1.987 0.772 0.414 0.800 0.467 CB 1.358 16 residues pruned to eliminate duplicates Z: 43 42.890 2.219 1.012 0.630 0.929 0.595 CB 1.413 43 residues pruned to eliminate duplicates Z: 63 61.871 2.360 0.880 0.577 0.919 0.677 CB 1.789 63 residues pruned to eliminate duplicates Z: 65 62.085 2.329 0.854 0.573 0.969 0.672 CB 1.729 65 residues pruned to eliminate duplicates Z: 65 67.652 2.370 0.882 0.589 0.984 0.703 CB 1.768 65 residues pruned to eliminate duplicates Z: 66 67.342 2.353 0.906 0.603 0.954 0.708 CB 1.770 64 residues pruned to eliminate duplicates Z: 8 4.380 1.581 0.712 0.437 1.000 0.429 CB 0.653 Z: 6 3.152 1.649 1.126 0.183 0.800 0.200 CA 0.737 6 residues pruned to eliminate duplicates Z: 70 67.327 2.347 0.893 0.566 0.971 0.623 CB 1.762 78 residues pruned to eliminate duplicates Z: 76 58.426 2.265 0.875 0.518 0.920 0.680 CB 1.696 76 residues pruned to eliminate duplicates Z: 68 65.363 2.325 0.933 0.571 0.970 0.642 CB 1.710 68 residues pruned to eliminate duplicates Z: 7 7.233 1.599 0.784 0.442 1.000 0.667 N 1.099 Z: 63 69.138 2.403 0.944 0.600 0.968 0.742 CB 1.766 72 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 6 B: 143 C: 40 D: 52 E: 8 F: 44 G: 10 H: 102 I: 48 CC for partial structure against native data = 36.59 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.446, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.610, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.626, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.629, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.633, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.634, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.636, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.636, Connect. = 0.794 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.95 - 3.12 - 2.72 - 2.46 - 2.28 - 2.15 - 2.04 - 1.95 - 1.87 - 1.81 0.714 0.729 0.724 0.727 0.744 0.738 0.744 0.743 0.728 0.695 0.885 0.891 0.900 0.893 0.900 0.895 0.902 0.915 0.900 0.872 N 6476 6450 6400 6652 6502 6187 6481 6453 6806 5969 Estimated mean FOM = 0.729 Pseudo-free CC = 75.31 % Best trace (cycle 2 with CC 39.32%) was saved as ./1vqs-1.8-parrot-noncs/1vqs-1.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 3.9 - Setup, data input and phasing 57.4 - FFTs and peak-searches 40.8 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 2009.9 - Tripeptide search 21648.8 - Chain tracing 0.0 - NCS analysis 74.3 - B-value refinement for trace 0.9 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:27:28 Total time: 23837.06 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 399.4 Used memory is bytes: 34555368