++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:02:00 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: ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.ins Phases from ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.phi Native data from ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.hkl Listing output to ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.lst Phases output to ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.phs Poly-Ala trace output to ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: I 21 21 21 Allowed origin shift code: 15 62686 Reflections read from file ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.phi 62686 Reflections read from file ./1vpm-1.7-parrot-hancs/1vpm-1.7-parrot-hancs.hkl 62686 Unique data, highest resolution = 1.660 Angstroms Anisotropic scaling: intensities multiplied by 0.000041h^2 +0.000113k^2 -0.000082l^2 +0.000000kl +0.000000hl +0.000000hk 181 Reflections with d > 1.860 and 0 in range 1.860 > d > 1.660 added Density sharpening factor set to 1.26 Fourier grid = 256 x 256 x 55 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|> = 0.689 = 0.300, Contrast = 0.385, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.501, Connect. = 0.764 for dens.mod. cycle 2 = 0.300, Contrast = 0.685, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.816 for dens.mod. cycle 4 = 0.300, Contrast = 0.771, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.826 for dens.mod. cycle 6 = 0.300, Contrast = 0.796, Connect. = 0.829 for dens.mod. cycle 7 = 0.300, Contrast = 0.803, Connect. = 0.831 for dens.mod. cycle 8 = 0.300, Contrast = 0.807, Connect. = 0.832 for dens.mod. cycle 9 = 0.300, Contrast = 0.809, Connect. = 0.833 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2190 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 529 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 57.708 2.580 1.046 0.958 1.000 0.905 CB 1.636 B: 22 58.129 2.598 1.037 0.931 1.000 0.905 CB 1.674 22 residues pruned to eliminate duplicates C: 23 34.759 1.996 0.810 0.921 1.000 0.909 CB 1.444 D: 21 56.877 2.622 0.982 0.950 1.000 0.850 CB 1.688 21 residues pruned to eliminate duplicates E: 22 46.967 2.510 0.782 0.914 1.000 0.905 CB 1.621 22 residues pruned to eliminate duplicates F: 22 52.151 2.566 0.962 0.917 1.000 0.905 CB 1.596 22 residues pruned to eliminate duplicates G: 22 58.796 2.553 1.129 0.956 1.000 0.905 CB 1.621 22 residues pruned to eliminate duplicates H: 22 62.093 2.576 1.178 0.946 1.000 0.952 CB 1.671 22 residues pruned to eliminate duplicates I: 21 54.929 2.489 1.140 0.943 1.000 0.950 CB 1.599 J: 22 41.564 2.316 0.710 0.949 1.000 1.000 CB 1.581 K: 22 51.528 2.580 0.821 0.946 1.000 0.952 CB 1.654 22 residues pruned to eliminate duplicates L: 22 61.422 2.558 1.219 0.937 1.000 0.905 CB 1.643 22 residues pruned to eliminate duplicates M: 22 46.539 2.320 0.920 0.949 1.000 0.952 CB 1.573 22 residues pruned to eliminate duplicates N: 32 38.167 2.220 1.158 0.568 0.935 0.677 CB 1.433 O: 22 50.481 2.588 0.883 0.933 0.952 0.857 CB 1.656 22 residues pruned to eliminate duplicates P: 22 56.278 2.578 1.247 0.930 0.905 0.810 CB 1.639 22 residues pruned to eliminate duplicates Q: 21 43.712 2.347 0.731 0.950 1.000 0.900 CB 1.659 22 residues pruned to eliminate duplicates R: 22 59.531 2.567 1.246 0.942 0.952 0.667 CB 1.641 22 residues pruned to eliminate duplicates S: 22 45.491 2.333 0.880 0.949 1.000 0.952 CB 1.562 21 residues pruned to eliminate duplicates T: 21 40.059 2.355 0.594 0.938 1.000 0.950 CB 1.659 21 residues pruned to eliminate duplicates U: 21 51.417 2.487 0.941 0.940 1.000 1.000 CB 1.654 21 residues pruned to eliminate duplicates V: 151 108.932 2.368 1.204 0.618 0.927 0.727 CB 1.645 45 residues pruned to eliminate duplicates W: 21 47.512 2.482 0.830 0.944 1.000 0.950 CB 1.620 21 residues pruned to eliminate duplicates X: 22 61.074 2.588 1.144 0.947 1.000 0.905 CB 1.661 22 residues pruned to eliminate duplicates Y: 21 65.129 2.495 1.473 0.957 1.000 0.900 CB 1.619 21 residues pruned to eliminate duplicates Z: 22 62.739 2.584 1.221 0.941 1.000 0.905 CB 1.655 22 residues pruned to eliminate duplicates Z: 21 37.878 2.076 0.858 0.911 1.000 0.850 CB 1.557 21 residues pruned to eliminate duplicates Z: 22 48.977 2.337 1.020 0.957 1.000 0.905 CB 1.554 22 residues pruned to eliminate duplicates Z: 33 40.749 2.197 1.258 0.579 0.938 0.781 CB 1.435 32 residues pruned to eliminate duplicates Z: 84 74.603 2.293 1.047 0.639 0.940 0.783 CB 1.629 83 residues pruned to eliminate duplicates Z: 22 41.408 2.330 0.715 0.952 1.000 1.000 CB 1.557 22 residues pruned to eliminate duplicates Z: 85 71.964 2.305 1.160 0.603 0.929 0.702 CB 1.540 26 residues pruned to eliminate duplicates Z: 22 45.801 2.333 0.887 0.942 1.000 0.905 CB 1.575 22 residues pruned to eliminate duplicates Z: 69 38.230 2.028 0.927 0.525 0.897 0.662 CB 1.291 33 residues pruned to eliminate duplicates Z: 19 62.792 2.489 1.380 0.957 1.000 0.944 CB 1.716 19 residues pruned to eliminate duplicates Z: 22 51.543 2.502 1.077 0.905 1.000 0.714 CB 1.540 22 residues pruned to eliminate duplicates Z: 65 74.376 2.316 1.132 0.644 0.969 0.781 CB 1.699 65 residues pruned to eliminate duplicates Z: 22 65.258 2.566 1.366 0.944 1.000 0.571 CB 1.624 22 residues pruned to eliminate duplicates Z: 53 56.878 2.217 0.907 0.647 0.962 0.769 CB 1.691 53 residues pruned to eliminate duplicates Z: 21 61.912 2.493 1.323 0.955 1.000 1.000 CB 1.643 21 residues pruned to eliminate duplicates Z: 21 53.791 2.457 1.196 0.936 1.000 0.900 CB 1.553 21 residues pruned to eliminate duplicates Z: 83 75.597 2.402 1.056 0.596 0.939 0.707 CB 1.642 83 residues pruned to eliminate duplicates Z: 22 61.212 2.573 1.304 0.941 0.952 0.857 CB 1.642 22 residues pruned to eliminate duplicates Z: 120 82.164 2.266 1.189 0.577 0.924 0.672 CB 1.525 80 residues pruned to eliminate duplicates Z: 23 28.924 1.967 0.553 0.919 0.955 0.909 CB 1.491 23 residues pruned to eliminate duplicates Z: 21 56.360 2.482 1.194 0.956 1.000 1.000 CB 1.589 21 residues pruned to eliminate duplicates Z: 25 36.596 2.200 0.997 0.545 0.958 0.625 CB 1.698 25 residues pruned to eliminate duplicates Z: 85 70.555 2.362 1.129 0.544 0.929 0.619 CB 1.579 85 residues pruned to eliminate duplicates Z: 41 42.849 2.237 1.053 0.527 0.925 0.675 CB 1.552 41 residues pruned to eliminate duplicates Z: 23 40.029 2.477 0.592 0.893 1.000 0.818 CB 1.554 23 residues pruned to eliminate duplicates Z: 79 45.964 2.002 0.926 0.591 0.910 0.718 CB 1.360 69 residues pruned to eliminate duplicates Z: 51 45.167 2.122 1.244 0.559 0.880 0.700 CB 1.439 51 residues pruned to eliminate duplicates Z: 27 32.021 2.110 1.100 0.507 0.923 0.462 CB 1.525 27 residues pruned to eliminate duplicates Z: 21 47.650 2.480 0.852 0.932 1.000 0.850 CB 1.620 21 residues pruned to eliminate duplicates Z: 50 49.257 2.368 0.850 0.597 0.898 0.714 CB 1.631 50 residues pruned to eliminate duplicates Z: 22 53.730 2.306 1.230 0.958 1.000 0.667 CB 1.563 22 residues pruned to eliminate duplicates Z: 21 64.760 2.482 1.486 0.958 1.000 1.000 CB 1.609 21 residues pruned to eliminate duplicates Z: 22 52.425 2.333 1.136 0.957 1.000 0.857 CB 1.575 22 residues pruned to eliminate duplicates Z: 20 42.277 2.349 0.589 0.931 1.000 1.000 CB 1.816 20 residues pruned to eliminate duplicates Z: 85 63.511 2.233 1.108 0.563 0.917 0.643 CB 1.510 85 residues pruned to eliminate duplicates Z: 40 38.211 2.119 1.099 0.577 0.923 0.692 CB 1.384 40 residues pruned to eliminate duplicates Z: 28 31.495 2.092 0.799 0.579 0.963 0.704 CB 1.550 Z: 26 35.024 2.217 0.754 0.701 0.920 0.720 CB 1.630 28 residues pruned to eliminate duplicates Z: 41 37.442 2.138 1.157 0.533 0.900 0.700 CB 1.380 41 residues pruned to eliminate duplicates Z: 83 78.932 2.324 1.184 0.618 0.939 0.732 CB 1.636 83 residues pruned to eliminate duplicates Z: 66 44.276 2.073 0.991 0.534 0.938 0.600 CB 1.371 66 residues pruned to eliminate duplicates Z: 12 29.941 2.104 1.312 0.611 1.000 0.727 CB 1.671 11 residues pruned to eliminate duplicates Z: 63 45.713 2.099 1.070 0.577 0.887 0.710 CB 1.399 62 residues pruned to eliminate duplicates Z: 47 45.397 2.166 0.811 0.673 0.913 0.804 CB 1.594 47 residues pruned to eliminate duplicates Z: 23 50.851 2.474 1.081 0.872 1.000 0.864 CB 1.535 23 residues pruned to eliminate duplicates Z: 26 32.348 2.146 0.964 0.517 0.920 0.600 CB 1.639 26 residues pruned to eliminate duplicates Z: 29 33.273 2.071 0.765 0.677 0.964 0.750 CB 1.516 27 residues pruned to eliminate duplicates Z: 95 72.899 2.283 1.165 0.582 0.915 0.681 CB 1.537 95 residues pruned to eliminate duplicates Z: 23 36.549 1.982 0.919 0.935 1.000 0.864 CB 1.428 23 residues pruned to eliminate duplicates Z: 42 51.873 2.353 1.206 0.517 0.927 0.585 CB 1.655 42 residues pruned to eliminate duplicates Z: 23 37.436 2.015 0.925 0.913 1.000 0.955 CB 1.456 23 residues pruned to eliminate duplicates Z: 69 74.223 2.424 1.078 0.612 0.956 0.750 CB 1.681 69 residues pruned to eliminate duplicates Z: 81 79.679 2.402 1.195 0.591 0.950 0.700 CB 1.631 81 residues pruned to eliminate duplicates Z: 32 37.449 2.113 1.125 0.566 0.935 0.613 CB 1.503 32 residues pruned to eliminate duplicates Z: 150 91.255 2.236 1.110 0.587 0.946 0.678 CB 1.541 149 residues pruned to eliminate duplicates Z: 21 59.739 2.479 1.287 0.948 1.000 0.850 CB 1.627 21 residues pruned to eliminate duplicates Z: 21 57.263 2.477 1.234 0.954 1.000 0.900 CB 1.592 21 residues pruned to eliminate duplicates Z: 22 44.615 2.319 0.879 0.955 1.000 0.952 CB 1.536 22 residues pruned to eliminate duplicates Z: 21 61.853 2.480 1.352 0.946 1.000 0.850 CB 1.640 21 residues pruned to eliminate duplicates Z: 43 38.895 2.045 0.916 0.616 0.905 0.690 CB 1.517 43 residues pruned to eliminate duplicates Z: 85 73.123 2.274 1.144 0.606 0.940 0.738 CB 1.573 85 residues pruned to eliminate duplicates Z: 58 52.374 2.302 1.185 0.486 0.912 0.632 CB 1.534 58 residues pruned to eliminate duplicates Z: 114 78.164 2.245 1.133 0.573 0.947 0.699 CB 1.511 114 residues pruned to eliminate duplicates Z: 22 41.155 2.311 0.816 0.951 1.000 0.905 CB 1.474 22 residues pruned to eliminate duplicates Z: 122 83.828 2.254 1.153 0.568 0.942 0.678 CB 1.561 122 residues pruned to eliminate duplicates Z: 139 79.785 2.194 1.099 0.578 0.920 0.688 CB 1.487 139 residues pruned to eliminate duplicates Z: 61 46.920 2.106 1.007 0.554 0.933 0.750 CB 1.456 61 residues pruned to eliminate duplicates Z: 44 59.470 2.427 1.307 0.543 0.930 0.628 CB 1.669 44 residues pruned to eliminate duplicates Z: 19 28.118 2.051 1.143 0.535 0.944 0.611 CB 1.543 19 residues pruned to eliminate duplicates Z: 22 50.145 2.314 1.169 0.942 1.000 0.952 CB 1.513 22 residues pruned to eliminate duplicates Z: 20 52.833 2.506 0.913 0.935 1.000 0.895 CB 1.762 20 residues pruned to eliminate duplicates Z: 111 75.062 2.234 1.175 0.571 0.909 0.618 CB 1.512 111 residues pruned to eliminate duplicates Z: 23 43.115 2.458 0.865 0.899 0.955 0.773 CB 1.502 23 residues pruned to eliminate duplicates Z: 20 25.357 2.156 0.983 0.534 0.895 0.632 CB 1.471 20 residues pruned to eliminate duplicates Z: 30 31.726 2.180 0.968 0.510 0.931 0.586 CB 1.460 31 residues pruned to eliminate duplicates Z: 21 34.925 2.064 0.846 0.918 0.900 0.850 CB 1.606 21 residues pruned to eliminate duplicates Z: 153 106.127 2.340 1.149 0.608 0.947 0.711 CB 1.630 153 residues pruned to eliminate duplicates Z: 76 57.994 2.167 0.978 0.600 0.973 0.720 CB 1.458 55 residues pruned to eliminate duplicates Z: 7 12.546 2.154 0.419 0.774 1.000 0.667 CA 1.316 7 residues pruned to eliminate duplicates Z: 19 60.925 2.512 1.197 0.960 1.000 0.889 CB 1.782 19 residues pruned to eliminate duplicates Z: 15 19.156 1.919 0.911 0.532 0.929 0.500 CA 1.457 15 residues pruned to eliminate duplicates Z: 89 82.954 2.360 1.111 0.652 0.932 0.716 CB 1.654 89 residues pruned to eliminate duplicates Z: 113 79.492 2.260 1.145 0.559 0.946 0.652 CB 1.546 113 residues pruned to eliminate duplicates Z: 23 36.407 2.225 0.938 0.557 1.000 0.591 CB 1.703 23 residues pruned to eliminate duplicates Z: 86 53.500 2.196 0.878 0.545 0.894 0.565 CB 1.506 86 residues pruned to eliminate duplicates Z: 16 20.866 1.969 0.575 0.881 0.933 0.800 CB 1.348 16 residues pruned to eliminate duplicates Z: 23 56.372 2.455 1.487 0.872 0.955 0.591 CB 1.504 23 residues pruned to eliminate duplicates Z: 65 44.719 2.091 1.057 0.539 0.891 0.688 CB 1.404 65 residues pruned to eliminate duplicates Z: 7 12.491 2.088 0.529 0.721 0.833 0.667 CA 1.570 7 residues pruned to eliminate duplicates Z: 49 31.963 2.076 0.882 0.468 0.896 0.583 CB 1.362 49 residues pruned to eliminate duplicates Z: 68 69.947 2.415 1.003 0.605 0.955 0.687 CB 1.673 68 residues pruned to eliminate duplicates Z: 16 19.891 2.077 0.885 0.406 0.933 0.467 CB 1.552 16 residues pruned to eliminate duplicates Z: 22 43.610 2.290 1.005 0.943 1.000 0.905 CB 1.437 22 residues pruned to eliminate duplicates Z: 64 44.005 2.060 0.998 0.559 0.905 0.714 CB 1.406 64 residues pruned to eliminate duplicates Z: 7 10.470 2.266 0.508 0.370 0.833 0.333 CB 1.724 7 residues pruned to eliminate duplicates Z: 41 39.558 2.157 1.098 0.534 0.925 0.650 CB 1.445 41 residues pruned to eliminate duplicates Z: 8 15.275 1.937 0.945 0.681 0.857 0.571 CA 1.513 8 residues pruned to eliminate duplicates Z: 110 62.330 2.125 0.947 0.565 0.936 0.651 CB 1.448 110 residues pruned to eliminate duplicates Z: 151 103.144 2.363 1.133 0.589 0.927 0.720 CB 1.657 151 residues pruned to eliminate duplicates Z: 57 47.176 2.197 0.926 0.605 0.875 0.696 CB 1.541 57 residues pruned to eliminate duplicates Z: 75 55.869 2.186 1.067 0.558 0.919 0.595 CB 1.479 75 residues pruned to eliminate duplicates Z: 86 77.148 2.387 1.263 0.555 0.906 0.682 CB 1.620 86 residues pruned to eliminate duplicates Z: 128 94.922 2.360 1.086 0.612 0.921 0.740 CB 1.671 128 residues pruned to eliminate duplicates Z: 67 53.116 2.271 1.075 0.493 0.894 0.621 CB 1.563 67 residues pruned to eliminate duplicates Z: 46 52.351 2.210 0.833 0.701 0.956 0.778 CB 1.679 46 residues pruned to eliminate duplicates Z: 65 46.586 2.076 1.033 0.560 0.922 0.672 CB 1.413 65 residues pruned to eliminate duplicates Z: 8 22.549 2.130 0.941 0.863 1.000 0.714 CA 1.511 8 residues pruned to eliminate duplicates Z: 32 18.698 1.809 0.743 0.547 0.806 0.581 CB 1.261 32 residues pruned to eliminate duplicates Z: 152 100.045 2.336 1.055 0.597 0.954 0.715 CB 1.621 152 residues pruned to eliminate duplicates Z: 60 47.246 2.268 1.058 0.456 0.915 0.576 CB 1.507 60 residues pruned to eliminate duplicates Z: 82 67.528 2.257 1.102 0.602 0.901 0.741 CB 1.592 82 residues pruned to eliminate duplicates Z: 151 100.398 2.352 1.094 0.598 0.920 0.707 CB 1.648 151 residues pruned to eliminate duplicates Z: 83 78.300 2.276 1.147 0.638 0.951 0.768 CB 1.634 83 residues pruned to eliminate duplicates Z: 12 44.344 2.210 1.417 0.916 1.000 0.818 CB 1.768 12 residues pruned to eliminate duplicates Z: 101 81.039 2.300 1.160 0.582 0.930 0.760 CB 1.622 101 residues pruned to eliminate duplicates Z: 22 54.645 2.340 1.265 0.939 1.000 0.857 CB 1.564 22 residues pruned to eliminate duplicates Z: 67 72.747 2.442 1.035 0.609 0.955 0.712 CB 1.702 67 residues pruned to eliminate duplicates Z: 84 73.958 2.282 1.146 0.619 0.928 0.711 CB 1.596 84 residues pruned to eliminate duplicates Z: 25 21.570 1.967 0.825 0.599 0.917 0.750 CB 1.217 25 residues pruned to eliminate duplicates Z: 25 32.749 2.197 0.939 0.502 0.958 0.583 CB 1.635 25 residues pruned to eliminate duplicates Z: 16 28.357 2.001 0.858 0.903 1.000 0.933 CB 1.404 16 residues pruned to eliminate duplicates Z: 16 28.450 1.989 0.845 0.898 1.000 0.867 CB 1.431 16 residues pruned to eliminate duplicates Z: 22 35.146 2.051 0.739 0.922 1.000 1.000 CB 1.512 22 residues pruned to eliminate duplicates Z: 26 31.875 2.166 1.013 0.495 0.880 0.600 CB 1.671 26 residues pruned to eliminate duplicates Z: 19 22.026 1.885 0.717 0.575 1.000 0.667 CB 1.492 Z: 72 70.666 2.278 1.118 0.644 0.930 0.761 CB 1.634 72 residues pruned to eliminate duplicates Z: 84 60.295 2.172 1.022 0.586 0.952 0.723 CB 1.457 84 residues pruned to eliminate duplicates Z: 26 40.773 2.182 0.841 0.736 1.000 0.840 CB 1.642 26 residues pruned to eliminate duplicates Z: 85 72.438 2.259 1.116 0.607 0.940 0.702 CB 1.587 85 residues pruned to eliminate duplicates Z: 51 50.959 2.298 1.207 0.519 0.920 0.680 CB 1.516 51 residues pruned to eliminate duplicates Z: 17 21.614 1.973 0.908 0.854 0.812 0.750 CB 1.304 17 residues pruned to eliminate duplicates Z: 26 32.694 2.166 0.983 0.520 0.920 0.480 CB 1.623 26 residues pruned to eliminate duplicates Z: 62 63.257 2.401 1.005 0.598 0.934 0.639 CB 1.640 62 residues pruned to eliminate duplicates Z: 6 15.939 2.358 0.869 0.519 0.800 0.600 CA 1.985 6 residues pruned to eliminate duplicates Z: 113 71.070 2.242 1.115 0.550 0.893 0.643 CB 1.510 113 residues pruned to eliminate duplicates Z: 83 78.442 2.316 1.128 0.623 0.951 0.744 CB 1.646 83 residues pruned to eliminate duplicates Z: 17 27.716 1.927 0.905 0.925 0.938 0.688 CB 1.413 17 residues pruned to eliminate duplicates Z: 6 2.579 1.913 0.144 0.493 0.800 0.800 CB 0.664 6 residues pruned to eliminate duplicates Z: 30 41.825 2.141 0.780 0.758 0.966 0.862 CB 1.678 30 residues pruned to eliminate duplicates Z: 86 72.637 2.363 1.013 0.578 0.953 0.682 CB 1.612 86 residues pruned to eliminate duplicates Z: 6 9.984 1.815 0.292 0.811 1.000 0.800 CB 1.451 6 residues pruned to eliminate duplicates Z: 7 12.818 2.086 0.781 0.768 0.833 0.500 CA 1.333 7 residues pruned to eliminate duplicates Z: 9 3.900 1.841 0.251 0.181 0.625 0.250 N 1.406 9 residues pruned to eliminate duplicates Z: 65 44.397 2.085 0.974 0.549 0.922 0.734 CB 1.394 65 residues pruned to eliminate duplicates Z: 46 55.527 2.204 0.951 0.718 0.956 0.756 CB 1.654 46 residues pruned to eliminate duplicates Z: 152 104.409 2.347 1.088 0.611 0.947 0.742 CB 1.648 152 residues pruned to eliminate duplicates Z: 22 48.346 2.296 1.152 0.952 1.000 0.857 CB 1.471 22 residues pruned to eliminate duplicates Z: 70 62.794 2.379 0.922 0.577 0.942 0.652 CB 1.630 70 residues pruned to eliminate duplicates Z: 19 16.301 2.152 1.145 0.291 0.778 0.556 CB 1.352 19 residues pruned to eliminate duplicates Z: 48 41.696 2.154 1.004 0.551 0.894 0.745 CB 1.501 48 residues pruned to eliminate duplicates Z: 21 34.928 2.056 0.684 0.934 1.000 1.000 CB 1.573 21 residues pruned to eliminate duplicates Z: 151 101.524 2.358 1.029 0.611 0.940 0.700 CB 1.658 151 residues pruned to eliminate duplicates Z: 77 62.161 2.216 1.021 0.583 0.947 0.724 CB 1.551 77 residues pruned to eliminate duplicates Z: 7 21.216 2.372 1.122 0.563 1.000 0.667 CB 1.619 7 residues pruned to eliminate duplicates Z: 84 76.229 2.373 1.096 0.589 0.940 0.687 CB 1.644 84 residues pruned to eliminate duplicates Z: 6 15.604 2.149 0.596 0.869 1.000 0.800 CA 1.486 6 residues pruned to eliminate duplicates Z: 57 48.744 2.209 0.900 0.611 0.929 0.732 CB 1.504 57 residues pruned to eliminate duplicates Z: 8 16.017 1.779 1.257 0.836 0.857 0.571 CA 1.317 8 residues pruned to eliminate duplicates Z: 100 89.327 2.412 1.128 0.596 0.949 0.657 CB 1.681 100 residues pruned to eliminate duplicates Z: 109 91.127 2.427 1.161 0.598 0.935 0.676 CB 1.628 109 residues pruned to eliminate duplicates Z: 151 101.551 2.354 1.045 0.607 0.940 0.747 CB 1.656 151 residues pruned to eliminate duplicates Z: 66 44.501 2.062 0.986 0.533 0.938 0.662 CB 1.391 66 residues pruned to eliminate duplicates Z: 6 7.088 1.845 0.136 0.724 1.000 1.000 CB 1.236 6 residues pruned to eliminate duplicates Z: 20 72.278 2.515 1.632 0.959 1.000 0.895 CB 1.718 20 residues pruned to eliminate duplicates Z: 21 57.580 2.353 1.388 0.961 1.000 0.850 CB 1.568 21 residues pruned to eliminate duplicates Z: 17 23.888 1.951 0.643 0.882 1.000 0.812 CB 1.348 17 residues pruned to eliminate duplicates Z: 21 37.296 2.101 0.735 0.912 1.000 0.950 CB 1.620 21 residues pruned to eliminate duplicates Z: 8 17.501 1.850 1.191 0.827 0.857 0.714 N 1.434 8 residues pruned to eliminate duplicates Z: 18 13.894 1.858 0.663 0.439 0.882 0.588 CB 1.317 18 residues pruned to eliminate duplicates Z: 64 43.507 2.078 0.969 0.524 0.937 0.667 CB 1.397 64 residues pruned to eliminate duplicates Z: 108 87.116 2.417 1.123 0.589 0.916 0.692 CB 1.644 108 residues pruned to eliminate duplicates Z: 86 72.184 2.300 1.243 0.581 0.929 0.694 CB 1.511 86 residues pruned to eliminate duplicates Z: 13 36.922 2.057 1.240 0.862 1.000 0.750 C 1.698 13 residues pruned to eliminate duplicates Z: 25 30.718 2.186 0.881 0.512 0.958 0.583 CB 1.573 25 residues pruned to eliminate duplicates Z: 66 41.324 2.074 0.973 0.501 0.923 0.677 CB 1.355 66 residues pruned to eliminate duplicates Z: 32 35.262 2.201 1.123 0.527 0.935 0.710 CB 1.410 32 residues pruned to eliminate duplicates Z: 12 14.937 2.186 0.770 0.383 0.818 0.545 CB 1.611 12 residues pruned to eliminate duplicates Z: 83 65.675 2.305 1.150 0.576 0.927 0.732 CB 1.468 83 residues pruned to eliminate duplicates Z: 9 5.631 1.718 0.947 0.298 0.625 0.500 CB 1.193 9 residues pruned to eliminate duplicates Z: 22 48.324 2.292 1.097 0.956 1.000 0.857 CB 1.507 22 residues pruned to eliminate duplicates Z: 22 52.889 2.309 1.303 0.963 1.000 1.000 CB 1.483 22 residues pruned to eliminate duplicates Z: 109 56.281 2.109 0.864 0.545 0.917 0.657 CB 1.438 109 residues pruned to eliminate duplicates Z: 69 67.613 2.376 1.306 0.545 0.897 0.676 CB 1.597 69 residues pruned to eliminate duplicates Z: 25 21.197 2.024 0.821 0.463 0.833 0.625 CB 1.463 25 residues pruned to eliminate duplicates Z: 16 7.525 1.692 0.008 0.388 0.867 0.400 C 1.480 16 residues pruned to eliminate duplicates Z: 21 40.518 2.097 0.911 0.907 1.000 0.800 CB 1.606 21 residues pruned to eliminate duplicates Z: 81 75.267 2.404 0.992 0.599 0.963 0.688 CB 1.661 81 residues pruned to eliminate duplicates Z: 25 26.453 2.197 0.721 0.489 0.958 0.750 CB 1.506 25 residues pruned to eliminate duplicates Z: 57 71.353 2.458 1.205 0.634 0.964 0.750 CB 1.609 57 residues pruned to eliminate duplicates Z: 53 46.712 2.322 1.069 0.450 0.923 0.635 CB 1.537 53 residues pruned to eliminate duplicates Z: 9 22.390 2.127 1.032 0.689 0.875 0.750 CB 1.761 9 residues pruned to eliminate duplicates Z: 59 46.364 2.154 1.087 0.518 0.897 0.707 CB 1.483 59 residues pruned to eliminate duplicates Z: 13 11.512 1.595 0.717 0.586 0.917 0.750 CB 1.219 13 residues pruned to eliminate duplicates Z: 21 32.864 2.077 0.628 0.927 1.000 0.850 CB 1.522 21 residues pruned to eliminate duplicates Z: 113 75.662 2.242 1.098 0.554 0.938 0.679 CB 1.538 112 residues pruned to eliminate duplicates Z: 41 40.963 2.166 1.250 0.523 0.925 0.725 CB 1.405 41 residues pruned to eliminate duplicates Z: 27 28.930 2.115 0.949 0.530 0.885 0.731 CB 1.510 27 residues pruned to eliminate duplicates Z: 17 19.110 1.929 0.674 0.531 0.938 0.688 CB 1.531 17 residues pruned to eliminate duplicates Z: 16 27.650 2.222 1.096 0.518 0.867 0.800 CB 1.738 16 residues pruned to eliminate duplicates Z: 73 62.187 2.226 1.037 0.612 0.958 0.639 CB 1.516 74 residues pruned to eliminate duplicates Z: 12 14.301 1.890 0.148 0.883 1.000 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 11 32.817 2.165 1.213 0.933 1.000 0.900 CB 1.512 11 residues pruned to eliminate duplicates Z: 64 43.470 2.102 0.959 0.515 0.937 0.698 CB 1.400 64 residues pruned to eliminate duplicates Z: 84 59.959 2.146 1.068 0.615 0.928 0.687 CB 1.434 84 residues pruned to eliminate duplicates Z: 19 55.899 2.497 1.179 0.936 1.000 1.000 CB 1.686 19 residues pruned to eliminate duplicates Z: 42 37.323 2.124 1.080 0.542 0.902 0.732 CB 1.402 42 residues pruned to eliminate duplicates Z: 93 82.488 2.395 1.093 0.613 0.924 0.707 CB 1.668 93 residues pruned to eliminate duplicates Z: 6 17.637 2.266 0.558 0.830 1.000 0.800 CA 1.679 6 residues pruned to eliminate duplicates Z: 26 31.953 2.145 0.909 0.524 0.920 0.640 CB 1.656 26 residues pruned to eliminate duplicates Z: 85 71.872 2.297 1.096 0.595 0.940 0.750 CB 1.582 85 residues pruned to eliminate duplicates Z: 33 39.839 2.208 1.173 0.503 0.906 0.781 CB 1.615 33 residues pruned to eliminate duplicates Z: 17 19.349 1.914 1.097 0.532 0.812 0.500 CB 1.437 17 residues pruned to eliminate duplicates Z: 17 14.893 1.589 0.468 0.912 1.000 0.938 CB 1.131 17 residues pruned to eliminate duplicates Z: 11 31.442 2.137 1.170 0.930 1.000 0.800 CB 1.498 11 residues pruned to eliminate duplicates Z: 28 21.208 1.919 0.862 0.570 0.926 0.630 CB 1.154 28 residues pruned to eliminate duplicates Z: 21 40.614 2.100 0.860 0.919 1.000 0.900 CB 1.639 21 residues pruned to eliminate duplicates Z: 76 64.345 2.200 1.108 0.629 0.947 0.680 CB 1.499 76 residues pruned to eliminate duplicates Z: 25 31.904 2.154 0.913 0.513 0.958 0.583 CB 1.628 25 residues pruned to eliminate duplicates Z: 41 24.913 1.820 0.758 0.624 0.900 0.650 CB 1.217 41 residues pruned to eliminate duplicates Z: 26 30.548 2.123 0.890 0.543 0.960 0.680 CB 1.522 26 residues pruned to eliminate duplicates Z: 109 86.827 2.397 1.218 0.574 0.917 0.694 CB 1.596 109 residues pruned to eliminate duplicates Z: 12 9.437 1.746 0.709 0.347 0.909 0.455 CB 1.238 12 residues pruned to eliminate duplicates Z: 82 66.290 2.251 1.026 0.591 0.938 0.691 CB 1.578 82 residues pruned to eliminate duplicates Z: 105 81.203 2.398 1.037 0.582 0.923 0.683 CB 1.632 105 residues pruned to eliminate duplicates Z: 21 25.994 2.210 1.208 0.493 0.900 0.700 CB 1.332 21 residues pruned to eliminate duplicates Z: 16 24.910 1.957 0.817 0.890 1.000 0.867 CB 1.302 16 residues pruned to eliminate duplicates Z: 7 3.208 1.650 0.030 0.514 0.667 0.667 N 1.140 Z: 13 30.843 2.074 1.142 0.859 0.917 0.750 CB 1.608 13 residues pruned to eliminate duplicates Z: 27 15.255 1.867 0.945 0.322 0.808 0.423 CB 1.242 27 residues pruned to eliminate duplicates Z: 7 2.882 1.558 0.525 0.621 0.667 0.500 CB 0.662 Z: 66 69.972 2.435 1.014 0.620 0.938 0.646 CB 1.684 66 residues pruned to eliminate duplicates Z: 8 7.325 2.084 0.306 0.302 1.000 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 16 26.103 1.992 0.647 0.858 1.000 0.800 CA 1.513 16 residues pruned to eliminate duplicates Z: 6 6.458 1.682 0.063 0.775 1.000 0.800 CA 1.268 6 residues pruned to eliminate duplicates Z: 17 15.234 1.566 0.680 0.884 1.000 0.688 CB 1.045 17 residues pruned to eliminate duplicates Z: 27 31.184 2.090 0.722 0.680 0.923 0.692 CB 1.561 27 residues pruned to eliminate duplicates Z: 16 24.805 1.969 0.632 0.882 1.000 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 114 72.233 2.237 1.078 0.548 0.912 0.673 CB 1.530 114 residues pruned to eliminate duplicates Z: 8 12.334 1.621 0.854 0.870 1.000 1.000 CB 1.133 8 residues pruned to eliminate duplicates Z: 9 5.916 1.944 0.360 0.552 0.750 0.625 CB 1.002 Z: 6 8.955 1.662 0.418 0.817 1.000 0.800 CA 1.290 6 residues pruned to eliminate duplicates Z: 28 35.943 2.091 0.827 0.710 0.963 0.741 CB 1.554 28 residues pruned to eliminate duplicates Z: 42 37.481 2.096 1.200 0.517 0.878 0.780 CB 1.421 42 residues pruned to eliminate duplicates Z: 81 77.460 2.377 1.172 0.622 0.938 0.762 CB 1.594 81 residues pruned to eliminate duplicates Z: 18 20.388 2.105 1.039 0.356 0.824 0.588 CB 1.635 18 residues pruned to eliminate duplicates Z: 41 40.157 2.221 1.084 0.534 0.925 0.725 CB 1.434 41 residues pruned to eliminate duplicates Z: 6 7.416 1.546 0.392 0.801 1.000 0.800 C 1.184 6 residues pruned to eliminate duplicates Z: 10 12.933 1.676 0.647 0.892 0.889 0.667 CB 1.262 10 residues pruned to eliminate duplicates Z: 83 73.090 2.271 1.071 0.627 0.951 0.768 CB 1.601 83 residues pruned to eliminate duplicates Z: 69 71.168 2.403 0.986 0.620 0.956 0.735 CB 1.690 69 residues pruned to eliminate duplicates Z: 58 49.879 2.182 0.956 0.603 0.947 0.754 CB 1.481 57 residues pruned to eliminate duplicates Z: 12 10.670 1.986 0.418 0.441 0.818 0.545 CB 1.484 Z: 22 15.653 1.814 0.859 0.490 0.905 0.667 CB 1.131 22 residues pruned to eliminate duplicates Z: 12 35.320 2.162 1.234 0.877 0.909 0.818 CB 1.761 12 residues pruned to eliminate duplicates Z: 40 22.422 1.885 0.725 0.470 0.897 0.615 CB 1.269 40 residues pruned to eliminate duplicates Z: 17 15.237 1.838 0.797 0.521 0.812 0.562 CB 1.390 17 residues pruned to eliminate duplicates Z: 19 19.329 1.861 0.770 0.568 0.889 0.667 CB 1.457 19 residues pruned to eliminate duplicates Z: 33 43.415 2.236 1.280 0.571 0.906 0.719 CB 1.551 33 residues pruned to eliminate duplicates Z: 34 45.141 2.242 1.348 0.567 0.879 0.788 CB 1.593 34 residues pruned to eliminate duplicates Z: 56 50.038 2.262 1.072 0.506 0.909 0.655 CB 1.574 56 residues pruned to eliminate duplicates Z: 46 48.305 2.251 1.367 0.514 0.911 0.644 CB 1.462 46 residues pruned to eliminate duplicates Z: 34 24.402 1.989 0.830 0.601 0.939 0.667 CB 1.129 34 residues pruned to eliminate duplicates Z: 22 14.350 1.730 0.607 0.469 0.857 0.571 CB 1.355 22 residues pruned to eliminate duplicates Z: 31 34.423 2.111 0.976 0.530 0.967 0.633 CB 1.514 31 residues pruned to eliminate duplicates Z: 16 13.732 1.620 0.374 0.895 1.000 1.000 CB 1.142 16 residues pruned to eliminate duplicates Z: 6 6.044 1.866 -0.307 0.810 1.000 0.800 CB 1.595 Z: 101 79.626 2.328 1.126 0.576 0.910 0.710 CB 1.643 101 residues pruned to eliminate duplicates Z: 84 78.795 2.271 1.200 0.630 0.952 0.711 CB 1.609 84 residues pruned to eliminate duplicates Z: 16 16.012 2.138 0.927 0.379 0.800 0.467 CB 1.427 16 residues pruned to eliminate duplicates Z: 34 27.329 1.946 0.990 0.508 0.939 0.667 CB 1.298 34 residues pruned to eliminate duplicates Z: 18 18.913 1.913 0.635 0.599 0.941 0.706 CB 1.417 18 residues pruned to eliminate duplicates Z: 13 10.465 1.843 0.304 0.585 0.917 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 7 3.054 1.364 0.114 0.820 0.667 0.667 CB 0.932 7 residues pruned to eliminate duplicates Z: 40 41.489 2.120 0.904 0.642 0.923 0.769 CB 1.562 40 residues pruned to eliminate duplicates Z: 6 4.317 1.771 0.100 0.395 1.000 0.800 CB 1.107 6 residues pruned to eliminate duplicates Z: 88 78.490 2.288 1.071 0.656 0.943 0.736 CB 1.630 88 residues pruned to eliminate duplicates Z: 6 5.346 1.358 0.910 0.654 0.800 0.600 N 0.998 Z: 20 62.268 2.457 1.427 0.950 1.000 0.842 CB 1.652 20 residues pruned to eliminate duplicates Z: 22 33.634 2.296 0.939 0.593 0.905 0.524 CB 1.667 22 residues pruned to eliminate duplicates Z: 8 9.695 1.806 0.117 0.815 1.000 0.714 CB 1.382 8 residues pruned to eliminate duplicates Z: 84 78.351 2.287 1.160 0.635 0.952 0.735 CB 1.612 84 residues pruned to eliminate duplicates Z: 42 39.015 2.227 1.022 0.487 0.902 0.732 CB 1.519 42 residues pruned to eliminate duplicates Z: 7 11.042 2.084 0.718 0.397 1.000 0.667 CB 1.404 7 residues pruned to eliminate duplicates Z: 121 82.075 2.261 1.152 0.572 0.942 0.692 CB 1.525 121 residues pruned to eliminate duplicates Z: 9 7.712 1.629 0.891 0.623 0.750 0.375 CA 1.051 9 residues pruned to eliminate duplicates Z: 9 5.605 1.593 0.567 0.526 0.875 0.875 CB 0.885 9 residues pruned to eliminate duplicates Z: 19 17.849 1.861 0.604 0.512 0.944 0.611 CB 1.474 19 residues pruned to eliminate duplicates Z: 11 6.914 1.706 0.373 0.489 0.800 0.600 C 1.180 11 residues pruned to eliminate duplicates Z: 11 9.969 1.804 0.640 0.422 0.800 0.500 CB 1.445 11 residues pruned to eliminate duplicates Z: 16 22.132 1.960 0.529 0.898 1.000 1.000 CB 1.364 16 residues pruned to eliminate duplicates Z: 36 29.223 2.060 0.924 0.441 0.914 0.543 CB 1.448 36 residues pruned to eliminate duplicates Z: 14 17.111 2.065 1.183 0.637 0.846 0.692 CB 1.094 14 residues pruned to eliminate duplicates Z: 7 4.592 1.495 0.154 0.511 1.000 0.833 CB 1.075 Z: 6 3.268 1.438 0.274 0.496 1.000 0.600 N 0.801 Z: 12 15.763 2.130 0.687 0.559 0.818 0.727 CB 1.526 12 residues pruned to eliminate duplicates Z: 70 62.610 2.352 0.847 0.593 0.942 0.652 CB 1.686 70 residues pruned to eliminate duplicates Z: 37 41.699 2.157 1.060 0.569 0.972 0.806 CB 1.506 37 residues pruned to eliminate duplicates Z: 47 49.812 2.145 0.865 0.702 0.957 0.783 CB 1.597 47 residues pruned to eliminate duplicates Z: 17 12.823 1.579 0.296 0.926 1.000 1.000 CB 1.098 17 residues pruned to eliminate duplicates Z: 24 27.830 2.204 0.821 0.500 0.870 0.565 CB 1.663 24 residues pruned to eliminate duplicates Z: 39 52.178 2.272 1.048 0.691 0.974 0.789 CB 1.569 39 residues pruned to eliminate duplicates Z: 27 36.200 2.153 0.727 0.705 0.962 0.846 CB 1.648 27 residues pruned to eliminate duplicates Z: 108 61.447 2.125 0.919 0.583 0.916 0.692 CB 1.469 108 residues pruned to eliminate duplicates Z: 17 19.144 1.920 0.668 0.551 0.938 0.562 CB 1.517 17 residues pruned to eliminate duplicates Z: 133 89.624 2.375 1.135 0.561 0.902 0.674 CB 1.608 133 residues pruned to eliminate duplicates Z: 10 16.551 2.014 0.982 0.475 0.889 0.667 CB 1.594 10 residues pruned to eliminate duplicates Z: 6 8.449 1.874 0.571 0.761 0.800 0.600 CA 1.272 6 residues pruned to eliminate duplicates Z: 27 39.724 2.108 0.909 0.746 0.962 0.769 CB 1.616 27 residues pruned to eliminate duplicates Z: 24 35.017 1.976 0.805 0.832 0.957 0.870 CA 1.607 24 residues pruned to eliminate duplicates Z: 25 30.322 2.128 0.913 0.558 0.917 0.625 CB 1.568 25 residues pruned to eliminate duplicates Z: 36 41.298 2.265 1.023 0.571 0.971 0.657 CB 1.465 36 residues pruned to eliminate duplicates Z: 98 64.486 2.223 1.060 0.530 0.928 0.608 CB 1.496 98 residues pruned to eliminate duplicates Z: 17 28.000 1.994 0.871 0.834 0.938 0.812 CB 1.501 17 residues pruned to eliminate duplicates Z: 6 6.748 1.697 0.143 0.777 1.000 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 16 15.785 1.626 0.589 0.873 1.000 0.867 CB 1.150 16 residues pruned to eliminate duplicates Z: 29 35.990 2.037 0.803 0.703 1.000 0.679 CB 1.539 29 residues pruned to eliminate duplicates Z: 12 18.406 2.004 0.976 0.598 0.909 0.636 CA 1.404 12 residues pruned to eliminate duplicates Z: 9 11.951 1.771 1.145 0.723 1.000 0.875 CB 0.910 Z: 58 64.543 2.285 1.122 0.650 0.982 0.737 CB 1.560 58 residues pruned to eliminate duplicates Z: 11 8.174 1.805 0.551 0.469 0.900 0.800 CB 1.058 Z: 60 52.115 2.231 1.108 0.492 0.932 0.661 CB 1.560 60 residues pruned to eliminate duplicates Z: 29 24.526 2.143 0.765 0.411 0.893 0.571 CB 1.507 29 residues pruned to eliminate duplicates Z: 25 34.534 2.186 0.904 0.521 1.000 0.667 CB 1.658 25 residues pruned to eliminate duplicates Z: 26 34.570 2.219 1.054 0.542 0.920 0.600 CB 1.582 26 residues pruned to eliminate duplicates Z: 16 15.987 1.625 0.596 0.932 1.000 0.933 CB 1.111 17 residues pruned to eliminate duplicates Z: 21 38.704 2.092 0.927 0.929 0.950 0.800 CB 1.582 21 residues pruned to eliminate duplicates Z: 22 29.718 2.084 0.868 0.554 1.000 0.810 CB 1.581 22 residues pruned to eliminate duplicates Z: 12 5.620 1.832 0.041 0.496 0.818 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 51 50.591 2.284 1.111 0.515 0.920 0.680 CB 1.590 51 residues pruned to eliminate duplicates Z: 33 46.768 2.141 0.855 0.753 1.000 0.812 CB 1.661 33 residues pruned to eliminate duplicates Z: 6 4.362 2.018 1.290 0.813 1.000 1.000 CB 0.322 Z: 43 60.583 2.428 1.202 0.641 0.952 0.762 CB 1.609 43 residues pruned to eliminate duplicates Z: 28 19.331 1.950 0.757 0.494 0.852 0.704 CB 1.282 28 residues pruned to eliminate duplicates Z: 7 5.349 1.780 0.010 0.518 1.000 0.667 CB 1.193 Z: 22 70.639 2.601 1.352 0.937 1.000 0.857 CB 1.754 22 residues pruned to eliminate duplicates Z: 19 26.945 2.206 1.027 0.430 0.889 0.611 CB 1.719 19 residues pruned to eliminate duplicates Z: 26 35.286 2.214 0.736 0.676 0.960 0.880 CB 1.627 26 residues pruned to eliminate duplicates Z: 7 2.869 1.353 0.256 0.240 0.833 0.333 CB 1.118 Z: 47 52.587 2.175 0.957 0.703 0.935 0.804 CB 1.620 47 residues pruned to eliminate duplicates Z: 15 12.965 2.018 0.500 0.469 0.857 0.357 CB 1.378 15 residues pruned to eliminate duplicates Z: 33 36.406 1.970 0.694 0.729 0.969 0.781 CB 1.620 33 residues pruned to eliminate duplicates Z: 45 65.310 2.425 1.205 0.659 0.977 0.773 CB 1.626 57 residues pruned to eliminate duplicates Z: 32 28.982 2.189 0.924 0.460 0.839 0.581 CB 1.536 32 residues pruned to eliminate duplicates Z: 36 35.200 2.133 0.925 0.516 0.886 0.714 CB 1.610 36 residues pruned to eliminate duplicates Z: 120 80.426 2.261 1.162 0.572 0.924 0.639 CB 1.523 120 residues pruned to eliminate duplicates Z: 21 20.617 2.136 0.904 0.426 0.900 0.550 CB 1.361 21 residues pruned to eliminate duplicates Z: 114 77.808 2.225 1.157 0.568 0.929 0.655 CB 1.537 114 residues pruned to eliminate duplicates Z: 21 38.715 2.076 0.875 0.924 1.000 0.850 CB 1.562 21 residues pruned to eliminate duplicates Z: 16 25.459 1.964 0.676 0.848 1.000 0.867 CB 1.481 16 residues pruned to eliminate duplicates Z: 6 2.443 1.286 0.279 0.758 1.000 1.000 N 0.528 6 residues pruned to eliminate duplicates Z: 17 16.621 1.839 0.637 0.560 0.875 0.500 CB 1.489 17 residues pruned to eliminate duplicates Z: 13 8.556 1.800 0.077 0.622 0.833 0.750 N 1.362 15 residues pruned to eliminate duplicates Z: 30 43.088 2.240 1.258 0.592 0.931 0.759 CB 1.556 30 residues pruned to eliminate duplicates Z: 6 4.866 1.743 0.056 0.590 1.000 1.000 CB 1.085 6 residues pruned to eliminate duplicates Z: 22 36.967 2.001 0.954 0.924 1.000 0.810 CB 1.449 22 residues pruned to eliminate duplicates Z: 114 66.548 2.216 0.989 0.532 0.912 0.637 CB 1.510 114 residues pruned to eliminate duplicates Z: 19 20.331 1.830 0.774 0.604 0.944 0.778 CB 1.416 19 residues pruned to eliminate duplicates Z: 6 7.754 1.662 0.269 0.810 1.000 1.000 CA 1.255 6 residues pruned to eliminate duplicates Z: 6 6.321 1.464 0.437 0.817 1.000 1.000 CB 1.020 6 residues pruned to eliminate duplicates Z: 32 34.796 2.226 1.251 0.510 0.871 0.710 CB 1.418 32 residues pruned to eliminate duplicates Z: 17 26.226 2.203 1.010 0.475 0.875 0.500 CB 1.736 17 residues pruned to eliminate duplicates Z: 14 38.958 2.402 1.267 0.796 1.000 0.769 CB 1.532 14 residues pruned to eliminate duplicates Z: 41 47.076 2.245 1.141 0.581 0.950 0.725 CB 1.508 41 residues pruned to eliminate duplicates Z: 105 85.510 2.358 1.164 0.588 0.952 0.692 CB 1.587 105 residues pruned to eliminate duplicates Z: 6 8.648 1.616 0.464 0.842 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 28 25.963 1.963 0.694 0.665 0.889 0.778 CB 1.452 28 residues pruned to eliminate duplicates Z: 26 28.977 2.211 0.905 0.439 0.960 0.480 CB 1.526 26 residues pruned to eliminate duplicates Z: 110 92.358 2.396 1.243 0.590 0.927 0.706 CB 1.630 110 residues pruned to eliminate duplicates Z: 152 103.448 2.356 1.097 0.610 0.940 0.702 CB 1.633 152 residues pruned to eliminate duplicates Z: 119 75.270 2.238 1.142 0.553 0.915 0.669 CB 1.501 119 residues pruned to eliminate duplicates Z: 28 41.162 2.206 0.827 0.801 0.963 0.889 CB 1.568 28 residues pruned to eliminate duplicates Z: 16 15.401 1.629 0.627 0.887 1.000 0.667 CB 1.082 16 residues pruned to eliminate duplicates Z: 9 3.250 1.521 0.576 0.095 0.875 0.250 CB 0.921 Z: 90 63.854 2.222 1.111 0.546 0.899 0.663 CB 1.534 90 residues pruned to eliminate duplicates Z: 17 16.011 1.589 0.597 0.886 1.000 0.750 CB 1.138 17 residues pruned to eliminate duplicates 6 1.775 1.339 0.558 0.754 0.800 0.600 N 0.379 ? Z: 15 17.299 1.931 1.072 0.579 0.857 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 6 5.100 1.816 0.041 0.459 1.000 0.800 O 1.258 6 residues pruned to eliminate duplicates Z: 33 39.044 2.239 0.930 0.548 0.938 0.812 CB 1.625 33 residues pruned to eliminate duplicates Z: 24 30.050 2.173 1.066 0.526 0.870 0.522 CB 1.563 24 residues pruned to eliminate duplicates Z: 12 24.900 2.168 0.962 0.756 1.000 1.000 CB 1.405 12 residues pruned to eliminate duplicates Z: 21 19.183 1.955 0.910 0.466 0.850 0.700 CB 1.399 21 residues pruned to eliminate duplicates Z: 57 57.107 2.200 1.017 0.624 0.946 0.768 CB 1.617 57 residues pruned to eliminate duplicates Z: 38 48.972 2.265 0.956 0.666 0.973 0.784 CB 1.602 38 residues pruned to eliminate duplicates Z: 21 44.076 2.423 0.901 0.915 1.000 0.850 CB 1.512 21 residues pruned to eliminate duplicates Z: 9 5.825 1.747 0.223 0.694 0.875 0.750 CB 0.923 9 residues pruned to eliminate duplicates Z: 9 10.469 1.718 0.792 0.770 0.875 0.625 CB 1.082 9 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 150 B: 122 C: 19 D: 152 CC for partial structure against native data = 46.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.554, Connect. = 0.790 for dens.mod. cycle 1 = 0.300, Contrast = 0.631, Connect. = 0.812 for dens.mod. cycle 2 = 0.300, Contrast = 0.756, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.770, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.785, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.791, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.797, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.800, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.803, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.803, Connect. = 0.837 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2285 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 509 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 47.940 2.631 0.679 0.910 0.952 0.905 CB 1.762 B: 21 69.016 2.719 1.094 0.946 1.000 0.950 CB 1.874 22 residues pruned to eliminate duplicates C: 22 46.945 2.610 0.606 0.915 1.000 0.905 CB 1.727 22 residues pruned to eliminate duplicates D: 22 50.461 2.595 0.927 0.904 0.905 0.810 CB 1.733 22 residues pruned to eliminate duplicates E: 22 48.776 2.606 0.786 0.907 0.952 0.857 CB 1.706 22 residues pruned to eliminate duplicates F: 22 55.310 2.637 0.931 0.903 0.952 0.857 CB 1.773 22 residues pruned to eliminate duplicates G: 23 39.328 2.082 0.887 0.899 1.000 0.818 CB 1.526 H: 22 38.098 2.126 0.808 0.898 1.000 0.714 CB 1.548 21 residues pruned to eliminate duplicates I: 21 70.165 2.729 1.101 0.945 1.000 0.900 CB 1.894 21 residues pruned to eliminate duplicates J: 21 70.232 2.695 1.175 0.943 1.000 0.800 CB 1.857 21 residues pruned to eliminate duplicates K: 21 59.373 2.516 1.194 0.948 1.000 0.950 CB 1.661 L: 22 49.097 2.627 0.612 0.915 1.000 0.905 CB 1.788 22 residues pruned to eliminate duplicates M: 22 47.253 2.357 0.860 0.958 1.000 0.905 CB 1.613 N: 22 57.514 2.638 0.861 0.940 1.000 1.000 CB 1.776 22 residues pruned to eliminate duplicates O: 22 63.266 2.637 1.191 0.896 0.952 0.810 CB 1.796 22 residues pruned to eliminate duplicates P: 22 57.596 2.609 0.979 0.947 0.952 0.905 CB 1.766 22 residues pruned to eliminate duplicates Q: 22 44.786 2.339 0.824 0.915 1.000 0.857 CB 1.619 22 residues pruned to eliminate duplicates R: 22 54.694 2.646 0.764 0.935 1.000 0.905 CB 1.782 22 residues pruned to eliminate duplicates S: 22 39.103 2.342 0.586 0.939 1.000 0.952 CB 1.596 22 residues pruned to eliminate duplicates T: 22 66.370 2.633 1.185 0.936 1.000 0.810 CB 1.752 22 residues pruned to eliminate duplicates U: 22 62.567 2.654 1.082 0.928 0.952 0.857 CB 1.816 22 residues pruned to eliminate duplicates V: 22 51.869 2.337 1.069 0.950 1.000 0.762 CB 1.615 22 residues pruned to eliminate duplicates W: 63 52.195 2.311 1.027 0.490 0.919 0.629 CB 1.554 X: 22 68.280 2.639 1.286 0.928 1.000 0.762 CB 1.730 22 residues pruned to eliminate duplicates Y: 48 49.812 2.254 0.740 0.665 0.936 0.745 CB 1.699 23 residues pruned to eliminate duplicates Z: 22 68.731 2.652 1.367 0.907 0.952 0.905 CB 1.783 22 residues pruned to eliminate duplicates Z: 21 63.364 2.532 1.275 0.940 1.000 0.900 CB 1.708 21 residues pruned to eliminate duplicates Z: 22 46.043 2.345 0.847 0.940 1.000 0.905 CB 1.610 22 residues pruned to eliminate duplicates Z: 32 41.147 2.236 1.149 0.586 0.968 0.742 CB 1.464 Z: 46 51.456 2.432 1.057 0.521 0.911 0.711 CB 1.648 10 residues pruned to eliminate duplicates Z: 22 43.571 2.345 0.710 0.945 1.000 0.952 CB 1.641 22 residues pruned to eliminate duplicates Z: 50 45.347 2.354 0.968 0.513 0.898 0.673 CB 1.537 42 residues pruned to eliminate duplicates Z: 114 76.103 2.290 0.970 0.578 0.938 0.664 CB 1.569 79 residues pruned to eliminate duplicates Z: 112 94.032 2.474 0.985 0.600 0.955 0.748 CB 1.730 72 residues pruned to eliminate duplicates Z: 22 38.053 2.316 0.565 0.938 1.000 0.952 CB 1.593 22 residues pruned to eliminate duplicates Z: 22 47.093 2.342 0.911 0.928 1.000 0.810 CB 1.608 22 residues pruned to eliminate duplicates Z: 21 53.744 2.538 0.951 0.889 0.950 0.850 CB 1.840 21 residues pruned to eliminate duplicates Z: 18 23.552 2.250 1.261 0.501 0.824 0.471 CB 1.362 18 residues pruned to eliminate duplicates Z: 29 34.704 2.138 0.605 0.671 1.000 0.714 CB 1.631 Z: 21 52.629 2.505 0.959 0.955 1.000 0.900 CB 1.649 21 residues pruned to eliminate duplicates Z: 21 61.013 2.537 1.176 0.942 1.000 0.900 CB 1.714 21 residues pruned to eliminate duplicates Z: 46 52.884 2.312 0.766 0.684 0.933 0.822 CB 1.746 46 residues pruned to eliminate duplicates Z: 20 70.079 2.576 1.347 0.960 1.000 0.895 CB 1.821 20 residues pruned to eliminate duplicates Z: 21 61.784 2.529 1.230 0.939 1.000 0.900 CB 1.702 21 residues pruned to eliminate duplicates Z: 73 66.717 2.407 0.866 0.594 0.931 0.708 CB 1.721 73 residues pruned to eliminate duplicates Z: 22 51.947 2.595 0.802 0.933 0.952 0.905 CB 1.777 22 residues pruned to eliminate duplicates Z: 83 78.990 2.384 0.985 0.622 0.939 0.732 CB 1.750 83 residues pruned to eliminate duplicates Z: 129 98.001 2.436 0.883 0.633 0.953 0.695 CB 1.749 129 residues pruned to eliminate duplicates Z: 20 52.621 2.577 0.762 0.956 1.000 0.947 CB 1.827 20 residues pruned to eliminate duplicates Z: 21 49.512 2.515 0.812 0.936 1.000 1.000 CB 1.692 21 residues pruned to eliminate duplicates Z: 122 74.751 2.288 0.949 0.538 0.926 0.645 CB 1.586 122 residues pruned to eliminate duplicates Z: 22 56.849 2.625 0.863 0.942 1.000 0.905 CB 1.759 22 residues pruned to eliminate duplicates Z: 64 52.098 2.254 0.965 0.503 0.905 0.667 CB 1.634 61 residues pruned to eliminate duplicates Z: 29 32.534 2.118 0.672 0.687 0.929 0.750 CB 1.576 29 residues pruned to eliminate duplicates Z: 44 44.681 2.282 1.075 0.491 0.930 0.698 CB 1.561 44 residues pruned to eliminate duplicates Z: 20 50.647 2.571 0.740 0.942 1.000 0.947 CB 1.801 20 residues pruned to eliminate duplicates Z: 62 45.079 2.148 0.978 0.541 0.902 0.656 CB 1.448 32 residues pruned to eliminate duplicates Z: 152 105.199 2.410 0.991 0.609 0.934 0.748 CB 1.724 153 residues pruned to eliminate duplicates Z: 61 51.271 2.277 1.010 0.493 0.917 0.633 CB 1.589 61 residues pruned to eliminate duplicates Z: 46 53.850 2.293 0.739 0.723 0.956 0.844 CB 1.723 46 residues pruned to eliminate duplicates Z: 17 22.907 2.075 1.062 0.570 0.812 0.562 CA 1.540 17 residues pruned to eliminate duplicates Z: 23 29.744 2.036 0.513 0.901 0.955 0.909 CB 1.539 23 residues pruned to eliminate duplicates Z: 112 78.375 2.323 0.972 0.574 0.946 0.676 CB 1.597 113 residues pruned to eliminate duplicates Z: 20 68.970 2.568 1.330 0.945 1.000 0.842 CB 1.830 20 residues pruned to eliminate duplicates Z: 24 33.922 2.231 0.836 0.580 0.957 0.565 CB 1.672 24 residues pruned to eliminate duplicates Z: 30 32.693 2.230 1.061 0.527 0.897 0.586 CB 1.435 30 residues pruned to eliminate duplicates Z: 62 45.905 2.137 0.936 0.558 0.951 0.672 CB 1.411 62 residues pruned to eliminate duplicates Z: 31 37.807 2.228 1.009 0.554 0.967 0.667 CB 1.514 31 residues pruned to eliminate duplicates Z: 31 39.535 2.185 1.104 0.604 0.967 0.767 CB 1.471 31 residues pruned to eliminate duplicates Z: 54 43.584 2.153 1.046 0.552 0.906 0.679 CB 1.427 52 residues pruned to eliminate duplicates Z: 108 94.680 2.488 1.061 0.591 0.953 0.710 CB 1.716 108 residues pruned to eliminate duplicates Z: 21 40.811 2.365 0.522 0.944 1.000 1.000 CB 1.756 21 residues pruned to eliminate duplicates Z: 20 67.502 2.574 1.291 0.938 1.000 0.842 CB 1.826 20 residues pruned to eliminate duplicates Z: 14 18.615 1.913 1.052 0.592 0.923 0.769 CA 1.305 12 residues pruned to eliminate duplicates Z: 22 53.976 2.343 1.168 0.941 1.000 0.905 CB 1.609 22 residues pruned to eliminate duplicates Z: 22 35.853 2.137 0.636 0.912 1.000 0.857 CB 1.585 22 residues pruned to eliminate duplicates Z: 21 35.960 2.207 0.540 0.912 1.000 0.900 CB 1.677 21 residues pruned to eliminate duplicates Z: 12 11.174 2.023 0.652 0.424 0.818 0.636 CB 1.333 12 residues pruned to eliminate duplicates Z: 103 80.674 2.399 0.944 0.566 0.941 0.725 CB 1.707 103 residues pruned to eliminate duplicates Z: 27 34.119 2.220 0.569 0.689 0.962 0.808 CB 1.679 27 residues pruned to eliminate duplicates Z: 152 110.928 2.441 1.020 0.615 0.947 0.722 CB 1.733 153 residues pruned to eliminate duplicates Z: 84 80.088 2.377 1.021 0.644 0.952 0.807 CB 1.680 83 residues pruned to eliminate duplicates Z: 120 78.231 2.306 0.980 0.566 0.933 0.689 CB 1.580 120 residues pruned to eliminate duplicates Z: 16 16.290 1.959 0.424 0.537 1.000 0.533 CB 1.454 16 residues pruned to eliminate duplicates Z: 22 41.831 2.332 0.856 0.943 0.905 0.714 CB 1.615 22 residues pruned to eliminate duplicates Z: 20 48.965 2.542 0.651 0.941 1.000 0.947 CB 1.857 20 residues pruned to eliminate duplicates Z: 152 107.484 2.430 0.969 0.621 0.940 0.742 CB 1.734 152 residues pruned to eliminate duplicates Z: 109 60.987 2.149 0.859 0.569 0.926 0.648 CB 1.484 88 residues pruned to eliminate duplicates Z: 20 65.676 2.564 1.232 0.954 1.000 0.947 CB 1.811 20 residues pruned to eliminate duplicates Z: 65 41.594 2.108 0.958 0.504 0.906 0.703 CB 1.385 65 residues pruned to eliminate duplicates Z: 21 32.172 2.187 0.433 0.891 1.000 0.850 CB 1.650 22 residues pruned to eliminate duplicates Z: 24 37.055 2.248 0.875 0.577 0.957 0.609 CB 1.779 24 residues pruned to eliminate duplicates Z: 31 56.786 2.474 1.302 0.617 0.933 0.767 CB 1.745 31 residues pruned to eliminate duplicates Z: 22 48.774 2.329 0.952 0.948 1.000 0.762 CB 1.616 22 residues pruned to eliminate duplicates Z: 28 34.858 2.145 0.734 0.731 0.926 0.852 CB 1.582 29 residues pruned to eliminate duplicates Z: 112 79.153 2.278 0.954 0.602 0.955 0.676 CB 1.603 112 residues pruned to eliminate duplicates Z: 26 22.070 2.069 0.713 0.608 0.880 0.680 CB 1.277 27 residues pruned to eliminate duplicates Z: 22 22.970 2.058 0.959 0.441 0.905 0.571 CB 1.459 22 residues pruned to eliminate duplicates Z: 85 86.403 2.499 1.184 0.620 0.893 0.726 CB 1.728 85 residues pruned to eliminate duplicates Z: 114 78.047 2.293 1.046 0.573 0.929 0.681 CB 1.570 114 residues pruned to eliminate duplicates Z: 73 64.768 2.265 1.014 0.620 0.958 0.708 CB 1.559 75 residues pruned to eliminate duplicates Z: 60 45.633 2.279 0.952 0.461 0.915 0.644 CB 1.519 60 residues pruned to eliminate duplicates Z: 26 27.713 2.163 0.810 0.531 0.880 0.600 CB 1.561 26 residues pruned to eliminate duplicates Z: 51 44.134 2.198 0.698 0.647 0.920 0.780 CB 1.584 51 residues pruned to eliminate duplicates Z: 21 32.383 2.154 0.616 0.916 0.900 0.800 CB 1.631 21 residues pruned to eliminate duplicates Z: 122 85.591 2.298 1.046 0.580 0.950 0.661 CB 1.613 124 residues pruned to eliminate duplicates Z: 84 81.767 2.389 1.036 0.645 0.952 0.699 CB 1.693 84 residues pruned to eliminate duplicates Z: 22 39.091 2.313 0.643 0.927 1.000 0.905 CB 1.573 22 residues pruned to eliminate duplicates Z: 84 76.425 2.382 1.002 0.621 0.940 0.735 CB 1.671 84 residues pruned to eliminate duplicates Z: 17 24.580 2.268 1.243 0.431 0.875 0.562 CB 1.483 17 residues pruned to eliminate duplicates Z: 17 27.681 2.005 0.642 0.910 1.000 0.812 CB 1.491 17 residues pruned to eliminate duplicates Z: 152 107.185 2.440 0.954 0.612 0.947 0.669 CB 1.737 152 residues pruned to eliminate duplicates Z: 16 24.052 2.048 0.449 0.912 1.000 0.867 CB 1.482 16 residues pruned to eliminate duplicates Z: 56 71.905 2.507 1.064 0.652 0.927 0.745 CB 1.753 56 residues pruned to eliminate duplicates Z: 22 29.813 2.132 0.370 0.897 1.000 0.857 CB 1.594 22 residues pruned to eliminate duplicates Z: 35 22.540 1.966 0.742 0.488 0.912 0.647 CB 1.253 35 residues pruned to eliminate duplicates Z: 87 70.577 2.334 0.932 0.598 0.930 0.733 CB 1.652 87 residues pruned to eliminate duplicates Z: 22 46.401 2.334 0.842 0.947 1.000 0.762 CB 1.628 22 residues pruned to eliminate duplicates Z: 16 23.875 2.065 0.415 0.911 1.000 0.933 CB 1.495 16 residues pruned to eliminate duplicates Z: 121 81.346 2.305 1.013 0.564 0.942 0.692 CB 1.597 121 residues pruned to eliminate duplicates Z: 90 60.500 2.270 0.896 0.542 0.899 0.596 CB 1.592 90 residues pruned to eliminate duplicates Z: 66 39.096 2.055 0.874 0.507 0.892 0.631 CB 1.401 64 residues pruned to eliminate duplicates Z: 30 28.283 2.315 0.915 0.465 0.897 0.586 CB 1.369 30 residues pruned to eliminate duplicates Z: 108 55.625 2.142 0.781 0.562 0.925 0.682 CB 1.434 108 residues pruned to eliminate duplicates Z: 14 17.403 2.131 0.699 0.530 0.846 0.538 CB 1.529 14 residues pruned to eliminate duplicates Z: 146 90.898 2.302 0.980 0.579 0.938 0.641 CB 1.636 149 residues pruned to eliminate duplicates Z: 8 12.887 1.898 0.474 0.770 1.000 0.714 CA 1.370 8 residues pruned to eliminate duplicates Z: 118 72.565 2.290 0.884 0.565 0.923 0.667 CB 1.582 118 residues pruned to eliminate duplicates Z: 25 23.481 2.073 0.842 0.570 0.875 0.667 CB 1.341 25 residues pruned to eliminate duplicates Z: 22 70.634 2.618 1.285 0.929 1.000 0.857 CB 1.804 22 residues pruned to eliminate duplicates Z: 50 35.001 2.121 0.816 0.532 0.898 0.755 CB 1.401 52 residues pruned to eliminate duplicates Z: 17 24.646 1.990 0.446 0.885 1.000 0.750 CB 1.546 17 residues pruned to eliminate duplicates Z: 11 21.871 2.131 0.964 0.703 1.000 0.800 CA 1.374 11 residues pruned to eliminate duplicates Z: 53 46.283 2.307 1.029 0.492 0.904 0.596 CB 1.530 53 residues pruned to eliminate duplicates Z: 23 34.783 2.056 0.659 0.896 1.000 0.955 CB 1.558 23 residues pruned to eliminate duplicates Z: 74 52.397 2.247 0.788 0.567 0.932 0.671 CB 1.536 74 residues pruned to eliminate duplicates Z: 101 87.437 2.478 1.021 0.571 0.940 0.680 CB 1.735 101 residues pruned to eliminate duplicates Z: 19 18.413 1.883 0.621 0.536 1.000 0.667 CB 1.373 Z: 97 78.126 2.344 0.874 0.643 0.927 0.750 CB 1.713 97 residues pruned to eliminate duplicates Z: 84 70.309 2.349 0.891 0.596 0.952 0.771 CB 1.665 84 residues pruned to eliminate duplicates Z: 7 11.536 2.009 0.544 0.769 0.833 0.667 CA 1.437 7 residues pruned to eliminate duplicates Z: 22 49.462 2.321 1.061 0.934 1.000 0.857 CB 1.573 22 residues pruned to eliminate duplicates Z: 152 106.447 2.427 0.967 0.618 0.947 0.702 CB 1.713 152 residues pruned to eliminate duplicates Z: 85 70.756 2.312 0.921 0.647 0.929 0.738 CB 1.632 85 residues pruned to eliminate duplicates Z: 82 65.595 2.298 1.111 0.576 0.926 0.704 CB 1.508 82 residues pruned to eliminate duplicates Z: 57 58.498 2.441 0.916 0.553 0.911 0.589 CB 1.742 57 residues pruned to eliminate duplicates Z: 120 79.987 2.316 0.955 0.569 0.933 0.613 CB 1.625 120 residues pruned to eliminate duplicates Z: 112 78.439 2.317 1.008 0.565 0.946 0.685 CB 1.588 112 residues pruned to eliminate duplicates Z: 25 33.519 2.226 0.861 0.525 0.958 0.583 CB 1.681 25 residues pruned to eliminate duplicates Z: 17 31.550 2.028 0.781 0.894 1.000 0.875 CB 1.567 17 residues pruned to eliminate duplicates Z: 50 38.541 2.148 0.864 0.528 0.918 0.633 CB 1.456 50 residues pruned to eliminate duplicates Z: 83 72.262 2.354 0.876 0.605 0.951 0.756 CB 1.718 83 residues pruned to eliminate duplicates Z: 16 27.939 2.028 0.820 0.926 0.933 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 154 103.541 2.407 0.990 0.602 0.941 0.739 CB 1.686 154 residues pruned to eliminate duplicates Z: 79 65.063 2.381 0.886 0.591 0.885 0.628 CB 1.700 79 residues pruned to eliminate duplicates Z: 23 34.663 2.099 0.649 0.905 0.955 0.909 CB 1.592 23 residues pruned to eliminate duplicates Z: 105 64.601 2.242 0.974 0.526 0.933 0.673 CB 1.495 105 residues pruned to eliminate duplicates Z: 15 17.648 2.155 0.913 0.518 0.929 0.786 CB 1.210 15 residues pruned to eliminate duplicates Z: 58 53.249 2.272 0.889 0.632 0.877 0.754 CB 1.655 58 residues pruned to eliminate duplicates Z: 106 66.932 2.259 0.958 0.536 0.943 0.657 CB 1.512 106 residues pruned to eliminate duplicates Z: 29 25.813 2.243 0.823 0.429 0.821 0.536 CB 1.563 29 residues pruned to eliminate duplicates Z: 22 63.845 2.585 1.334 0.912 0.952 0.810 CB 1.718 22 residues pruned to eliminate duplicates Z: 153 103.057 2.422 0.902 0.613 0.941 0.697 CB 1.733 153 residues pruned to eliminate duplicates Z: 30 27.816 2.073 0.823 0.606 0.897 0.828 CB 1.378 30 residues pruned to eliminate duplicates Z: 100 91.001 2.483 1.010 0.611 0.939 0.657 CB 1.756 100 residues pruned to eliminate duplicates Z: 45 51.545 2.316 0.646 0.699 0.977 0.773 CB 1.740 45 residues pruned to eliminate duplicates Z: 63 44.225 2.157 0.851 0.555 0.935 0.694 CB 1.425 63 residues pruned to eliminate duplicates Z: 40 34.045 2.177 0.761 0.504 0.974 0.641 CB 1.454 40 residues pruned to eliminate duplicates Z: 20 74.469 2.543 1.567 0.964 1.000 0.842 CB 1.788 20 residues pruned to eliminate duplicates Z: 17 25.273 2.005 0.700 0.906 0.938 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 26 32.430 2.205 0.721 0.564 0.960 0.600 CB 1.674 26 residues pruned to eliminate duplicates Z: 6 8.866 1.805 0.300 0.739 1.000 0.800 CB 1.364 6 residues pruned to eliminate duplicates Z: 6 9.759 2.228 -0.015 0.836 1.000 0.800 CA 1.488 6 residues pruned to eliminate duplicates Z: 58 62.092 2.452 0.986 0.622 0.895 0.719 CB 1.682 58 residues pruned to eliminate duplicates Z: 28 36.860 2.161 0.669 0.721 0.963 0.852 CB 1.673 28 residues pruned to eliminate duplicates Z: 85 71.319 2.347 0.899 0.610 0.952 0.821 CB 1.652 85 residues pruned to eliminate duplicates Z: 22 55.196 2.350 1.132 0.948 1.000 0.810 CB 1.660 22 residues pruned to eliminate duplicates Z: 123 95.096 2.442 1.024 0.580 0.943 0.697 CB 1.711 123 residues pruned to eliminate duplicates Z: 101 84.292 2.477 0.971 0.580 0.920 0.640 CB 1.738 101 residues pruned to eliminate duplicates Z: 94 74.036 2.322 1.030 0.582 0.935 0.645 CB 1.610 94 residues pruned to eliminate duplicates Z: 7 6.074 1.667 0.208 0.749 0.833 0.833 CA 1.183 7 residues pruned to eliminate duplicates Z: 100 92.381 2.487 1.035 0.597 0.960 0.697 CB 1.743 100 residues pruned to eliminate duplicates Z: 55 58.350 2.485 0.787 0.577 0.926 0.667 CB 1.793 55 residues pruned to eliminate duplicates Z: 106 57.596 2.159 0.792 0.585 0.933 0.667 CB 1.434 106 residues pruned to eliminate duplicates Z: 23 33.994 2.096 0.521 0.931 1.000 0.955 CB 1.589 23 residues pruned to eliminate duplicates Z: 59 52.472 2.229 0.867 0.641 0.966 0.707 CB 1.503 59 residues pruned to eliminate duplicates Z: 74 56.425 2.242 0.937 0.573 0.918 0.699 CB 1.544 74 residues pruned to eliminate duplicates Z: 13 36.457 2.166 1.234 0.869 0.917 0.917 CB 1.733 13 residues pruned to eliminate duplicates Z: 62 41.236 2.128 0.785 0.552 0.951 0.754 CB 1.390 62 residues pruned to eliminate duplicates Z: 8 15.721 1.891 1.031 0.740 0.857 0.714 CA 1.456 8 residues pruned to eliminate duplicates Z: 46 61.221 2.507 0.915 0.644 0.911 0.778 CB 1.823 46 residues pruned to eliminate duplicates Z: 67 60.202 2.316 1.048 0.532 0.939 0.682 CB 1.611 67 residues pruned to eliminate duplicates Z: 17 25.673 2.017 0.507 0.890 1.000 0.938 CB 1.520 17 residues pruned to eliminate duplicates Z: 21 34.878 2.209 0.527 0.923 1.000 0.850 CB 1.625 21 residues pruned to eliminate duplicates Z: 83 65.420 2.344 0.860 0.584 0.927 0.720 CB 1.649 83 residues pruned to eliminate duplicates Z: 61 48.415 2.319 0.856 0.509 0.917 0.717 CB 1.571 61 residues pruned to eliminate duplicates Z: 49 41.849 2.221 0.845 0.527 0.917 0.625 CB 1.565 49 residues pruned to eliminate duplicates Z: 62 54.051 2.336 0.880 0.579 0.918 0.672 CB 1.591 62 residues pruned to eliminate duplicates Z: 21 53.635 2.517 0.943 0.951 1.000 0.950 CB 1.690 21 residues pruned to eliminate duplicates Z: 21 31.472 2.185 0.427 0.923 0.950 0.850 CB 1.669 21 residues pruned to eliminate duplicates Z: 17 15.212 1.826 0.499 0.538 0.938 0.500 CB 1.428 17 residues pruned to eliminate duplicates Z: 17 13.309 2.060 0.628 0.457 0.812 0.688 CB 1.276 17 residues pruned to eliminate duplicates Z: 25 30.271 2.181 0.727 0.553 0.958 0.833 CB 1.626 25 residues pruned to eliminate duplicates Z: 120 81.501 2.322 0.993 0.559 0.941 0.647 CB 1.619 120 residues pruned to eliminate duplicates Z: 28 35.825 2.141 0.743 0.705 0.963 0.704 CB 1.591 28 residues pruned to eliminate duplicates Z: 28 33.004 2.138 0.645 0.695 0.963 0.778 CB 1.570 28 residues pruned to eliminate duplicates Z: 21 31.833 2.199 0.468 0.900 1.000 0.800 CB 1.575 21 residues pruned to eliminate duplicates Z: 27 19.069 1.938 0.712 0.518 0.885 0.654 CB 1.252 27 residues pruned to eliminate duplicates Z: 18 18.590 1.921 0.657 0.569 0.941 0.706 CB 1.408 18 residues pruned to eliminate duplicates Z: 90 67.390 2.289 1.012 0.560 0.955 0.652 CB 1.532 90 residues pruned to eliminate duplicates Z: 13 21.645 2.100 0.897 0.584 0.917 0.583 CB 1.578 13 residues pruned to eliminate duplicates Z: 8 18.559 2.284 0.464 0.835 1.000 0.714 CB 1.571 8 residues pruned to eliminate duplicates Z: 26 29.079 2.071 0.933 0.546 0.960 0.680 CB 1.446 26 residues pruned to eliminate duplicates Z: 7 8.246 1.630 0.578 0.721 1.000 0.667 CB 1.072 7 residues pruned to eliminate duplicates Z: 16 9.443 1.699 0.454 0.440 0.867 0.533 CA 1.212 16 residues pruned to eliminate duplicates Z: 63 43.617 2.110 0.939 0.548 0.919 0.694 CB 1.405 63 residues pruned to eliminate duplicates Z: 55 46.244 2.165 0.884 0.602 0.926 0.611 CB 1.512 55 residues pruned to eliminate duplicates Z: 112 73.232 2.310 0.911 0.560 0.928 0.649 CB 1.600 112 residues pruned to eliminate duplicates Z: 15 13.633 1.554 0.766 0.879 0.929 0.357 CB 1.037 Z: 16 13.165 1.920 0.568 0.499 0.867 0.533 CB 1.305 16 residues pruned to eliminate duplicates Z: 112 78.471 2.317 0.993 0.577 0.937 0.667 CB 1.598 112 residues pruned to eliminate duplicates Z: 83 82.061 2.528 1.064 0.574 0.939 0.720 CB 1.722 83 residues pruned to eliminate duplicates Z: 21 31.549 2.200 0.341 0.935 1.000 0.950 CB 1.666 21 residues pruned to eliminate duplicates Z: 6 7.721 1.958 0.448 0.750 1.000 1.000 CB 0.975 Z: 21 34.334 2.154 0.568 0.913 1.000 0.800 CB 1.610 21 residues pruned to eliminate duplicates Z: 85 74.705 2.463 0.906 0.587 0.917 0.643 CB 1.743 85 residues pruned to eliminate duplicates Z: 102 71.682 2.344 0.890 0.540 0.911 0.713 CB 1.699 102 residues pruned to eliminate duplicates Z: 30 36.219 2.246 1.085 0.547 0.931 0.759 CB 1.474 30 residues pruned to eliminate duplicates Z: 6 6.539 1.989 0.098 0.790 0.800 0.800 CA 1.298 6 residues pruned to eliminate duplicates Z: 6 5.472 1.788 0.091 0.758 1.000 1.000 CB 0.997 Z: 85 72.241 2.362 0.918 0.610 0.940 0.679 CB 1.667 85 residues pruned to eliminate duplicates Z: 25 24.314 2.122 0.821 0.625 0.875 0.708 CB 1.305 25 residues pruned to eliminate duplicates Z: 67 77.860 2.513 1.031 0.597 0.955 0.697 CB 1.794 67 residues pruned to eliminate duplicates Z: 75 45.898 2.120 0.866 0.526 0.919 0.662 CB 1.430 75 residues pruned to eliminate duplicates Z: 33 40.250 2.175 0.810 0.734 0.969 0.750 CB 1.512 31 residues pruned to eliminate duplicates Z: 16 13.521 1.540 0.503 0.896 0.933 0.400 CB 1.157 15 residues pruned to eliminate duplicates Z: 9 11.730 1.543 0.575 0.922 1.000 0.750 CB 1.200 9 residues pruned to eliminate duplicates Z: 7 6.538 1.468 0.625 0.770 1.000 0.833 C 0.881 7 residues pruned to eliminate duplicates Z: 10 10.168 1.670 0.719 0.851 0.778 0.556 CB 1.124 10 residues pruned to eliminate duplicates Z: 80 50.705 2.161 0.864 0.530 0.924 0.608 CB 1.488 80 residues pruned to eliminate duplicates Z: 52 47.492 2.234 0.867 0.591 0.922 0.706 CB 1.586 52 residues pruned to eliminate duplicates Z: 17 10.469 1.778 0.368 0.502 0.812 0.500 CB 1.323 17 residues pruned to eliminate duplicates Z: 68 66.960 2.450 0.910 0.604 0.910 0.642 CB 1.740 68 residues pruned to eliminate duplicates Z: 94 64.847 2.221 0.960 0.596 0.935 0.667 CB 1.507 94 residues pruned to eliminate duplicates Z: 15 29.355 2.209 1.005 0.573 0.929 0.857 CB 1.778 15 residues pruned to eliminate duplicates Z: 21 61.053 2.480 1.350 0.946 1.000 0.650 CB 1.619 21 residues pruned to eliminate duplicates Z: 60 59.713 2.284 1.025 0.648 0.932 0.695 CB 1.571 60 residues pruned to eliminate duplicates Z: 43 48.711 2.254 0.839 0.648 0.976 0.667 CB 1.618 43 residues pruned to eliminate duplicates Z: 55 67.382 2.457 0.945 0.641 0.963 0.759 CB 1.746 55 residues pruned to eliminate duplicates Z: 11 31.152 2.178 0.953 0.937 1.000 0.800 CB 1.611 11 residues pruned to eliminate duplicates Z: 6 7.025 1.648 0.188 0.833 1.000 1.000 O 1.204 6 residues pruned to eliminate duplicates Z: 112 79.541 2.322 1.001 0.583 0.937 0.685 CB 1.602 112 residues pruned to eliminate duplicates Z: 32 27.659 2.102 0.725 0.535 0.903 0.677 CB 1.465 32 residues pruned to eliminate duplicates Z: 8 6.648 2.112 0.256 0.596 0.857 0.571 CB 1.008 8 residues pruned to eliminate duplicates Z: 71 74.694 2.318 1.011 0.669 0.957 0.800 CB 1.713 71 residues pruned to eliminate duplicates Z: 11 10.527 1.965 0.804 0.401 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 12 10.785 1.852 0.978 0.338 0.818 0.545 CA 1.295 12 residues pruned to eliminate duplicates Z: 23 22.825 2.121 0.535 0.510 0.955 0.773 CB 1.550 23 residues pruned to eliminate duplicates Z: 40 24.908 1.980 0.709 0.531 0.923 0.692 CB 1.238 40 residues pruned to eliminate duplicates Z: 6 7.351 1.962 0.044 0.674 1.000 0.400 CA 1.366 6 residues pruned to eliminate duplicates Z: 13 10.167 1.818 0.323 0.503 0.917 0.583 CB 1.328 13 residues pruned to eliminate duplicates 6 1.479 1.419 0.053 0.442 0.800 0.600 CB 0.588 ? Z: 25 22.133 2.060 0.673 0.579 0.917 0.708 CB 1.326 25 residues pruned to eliminate duplicates Z: 7 10.291 1.946 0.962 0.378 0.833 0.333 CB 1.503 7 residues pruned to eliminate duplicates Z: 33 23.340 1.987 0.700 0.528 0.938 0.594 CB 1.268 33 residues pruned to eliminate duplicates Z: 50 52.050 2.269 0.701 0.687 0.939 0.755 CB 1.730 50 residues pruned to eliminate duplicates Z: 16 12.794 1.508 0.687 0.890 0.867 0.400 CB 1.078 16 residues pruned to eliminate duplicates Z: 50 34.432 2.097 0.740 0.475 0.939 0.633 CB 1.473 50 residues pruned to eliminate duplicates Z: 6 7.507 1.897 -0.074 0.726 1.000 0.800 O 1.558 Z: 151 98.947 2.413 0.841 0.615 0.953 0.727 CB 1.710 151 residues pruned to eliminate duplicates Z: 19 25.672 2.018 0.897 0.534 0.944 0.667 CB 1.619 19 residues pruned to eliminate duplicates Z: 29 33.517 2.112 0.738 0.674 0.929 0.750 CB 1.583 29 residues pruned to eliminate duplicates Z: 9 7.690 1.859 0.551 0.542 1.000 0.875 CB 0.906 9 residues pruned to eliminate duplicates Z: 13 17.297 2.050 0.893 0.658 0.833 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 12 26.969 2.113 0.702 0.935 1.000 0.818 CB 1.575 12 residues pruned to eliminate duplicates Z: 6 8.043 1.976 1.013 0.815 1.000 1.000 CB 0.688 Z: 63 54.205 2.228 0.844 0.573 0.935 0.726 CB 1.669 63 residues pruned to eliminate duplicates Z: 65 72.439 2.492 1.026 0.618 0.906 0.719 CB 1.771 65 residues pruned to eliminate duplicates Z: 17 23.909 1.999 0.425 0.869 1.000 0.812 CB 1.532 17 residues pruned to eliminate duplicates Z: 75 56.078 2.220 0.888 0.597 0.946 0.635 CB 1.499 75 residues pruned to eliminate duplicates Z: 110 95.797 2.485 1.087 0.603 0.936 0.688 CB 1.714 110 residues pruned to eliminate duplicates Z: 8 13.553 1.953 1.086 0.705 0.714 0.286 CB 1.461 8 residues pruned to eliminate duplicates Z: 16 26.320 2.050 0.505 0.900 1.000 0.867 CB 1.573 16 residues pruned to eliminate duplicates Z: 78 66.405 2.322 0.888 0.608 0.948 0.727 CB 1.644 78 residues pruned to eliminate duplicates Z: 6 9.822 2.360 0.537 0.521 0.800 0.400 CA 1.481 6 residues pruned to eliminate duplicates Z: 146 92.299 2.289 1.004 0.598 0.945 0.731 CB 1.610 146 residues pruned to eliminate duplicates Z: 46 46.511 2.177 0.843 0.620 0.978 0.689 CB 1.578 46 residues pruned to eliminate duplicates Z: 62 36.965 2.119 0.758 0.544 0.869 0.721 CB 1.401 62 residues pruned to eliminate duplicates Z: 28 38.748 2.173 0.651 0.756 1.000 0.778 CB 1.655 28 residues pruned to eliminate duplicates Z: 12 10.073 1.888 0.273 0.614 0.909 0.818 CB 1.247 12 residues pruned to eliminate duplicates Z: 21 48.390 2.480 0.854 0.929 1.000 0.850 CB 1.647 21 residues pruned to eliminate duplicates Z: 8 7.680 1.835 0.459 0.427 0.857 0.571 CB 1.363 8 residues pruned to eliminate duplicates Z: 52 63.624 2.482 1.027 0.611 0.902 0.686 CB 1.768 52 residues pruned to eliminate duplicates Z: 37 40.169 2.310 0.925 0.577 0.917 0.750 CB 1.525 37 residues pruned to eliminate duplicates Z: 12 11.544 1.981 0.198 0.622 1.000 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 7 13.586 2.079 0.452 0.795 1.000 0.667 CA 1.419 7 residues pruned to eliminate duplicates Z: 9 3.858 1.673 0.477 0.333 0.750 0.500 CB 0.883 9 residues pruned to eliminate duplicates Z: 33 47.725 2.472 0.807 0.562 0.938 0.594 CB 1.898 33 residues pruned to eliminate duplicates Z: 111 73.784 2.301 0.958 0.569 0.945 0.673 CB 1.545 111 residues pruned to eliminate duplicates Z: 63 44.275 2.113 0.856 0.576 0.935 0.694 CB 1.425 63 residues pruned to eliminate duplicates Z: 62 45.802 2.137 0.945 0.555 0.951 0.770 CB 1.406 62 residues pruned to eliminate duplicates Z: 18 28.912 1.992 0.705 0.835 0.941 0.765 CA 1.644 18 residues pruned to eliminate duplicates Z: 21 35.814 2.183 0.666 0.885 1.000 0.900 CB 1.590 21 residues pruned to eliminate duplicates Z: 15 14.633 1.633 0.497 0.888 1.000 0.786 CB 1.153 16 residues pruned to eliminate duplicates Z: 26 31.918 2.252 0.847 0.561 0.840 0.680 CA 1.722 26 residues pruned to eliminate duplicates Z: 63 44.060 2.120 0.926 0.551 0.952 0.694 CB 1.371 63 residues pruned to eliminate duplicates Z: 22 35.063 2.147 0.642 0.906 0.952 0.762 CB 1.621 22 residues pruned to eliminate duplicates Z: 58 51.144 2.335 1.026 0.515 0.912 0.684 CB 1.547 58 residues pruned to eliminate duplicates Z: 84 70.138 2.372 0.851 0.618 0.940 0.747 CB 1.670 84 residues pruned to eliminate duplicates Z: 14 34.438 2.510 1.171 0.703 0.923 0.846 CB 1.579 14 residues pruned to eliminate duplicates Z: 12 35.575 2.226 0.884 0.923 1.000 0.636 CB 1.797 12 residues pruned to eliminate duplicates Z: 6 6.251 1.947 -0.057 0.702 1.000 0.600 CA 1.267 6 residues pruned to eliminate duplicates Z: 8 10.587 2.014 1.080 0.599 0.857 0.857 CA 1.014 8 residues pruned to eliminate duplicates Z: 28 23.920 2.055 0.470 0.612 0.889 0.741 CB 1.542 28 residues pruned to eliminate duplicates Z: 40 38.470 2.272 0.916 0.508 0.897 0.744 CB 1.564 40 residues pruned to eliminate duplicates Z: 6 10.235 1.793 0.537 0.823 1.000 0.600 CB 1.255 6 residues pruned to eliminate duplicates Z: 21 29.199 2.283 0.929 0.468 0.900 0.650 CB 1.701 21 residues pruned to eliminate duplicates Z: 120 92.954 2.457 1.041 0.562 0.941 0.714 CB 1.700 120 residues pruned to eliminate duplicates Z: 15 14.249 1.600 0.490 0.905 1.000 0.929 CB 1.137 15 residues pruned to eliminate duplicates Z: 70 75.678 2.447 1.093 0.608 0.928 0.681 CB 1.731 70 residues pruned to eliminate duplicates Z: 12 22.506 2.037 0.999 0.751 1.000 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 18 18.249 1.912 0.557 0.554 1.000 0.471 CB 1.410 19 residues pruned to eliminate duplicates Z: 8 6.525 1.894 0.871 0.839 1.000 0.857 CB 0.520 Z: 64 42.568 2.097 0.921 0.553 0.921 0.651 CB 1.373 64 residues pruned to eliminate duplicates Z: 67 72.703 2.357 1.044 0.647 0.939 0.773 CB 1.725 67 residues pruned to eliminate duplicates Z: 69 62.122 2.354 0.924 0.568 0.941 0.691 CB 1.655 69 residues pruned to eliminate duplicates Z: 84 66.086 2.298 1.028 0.580 0.916 0.663 CB 1.574 84 residues pruned to eliminate duplicates Z: 127 98.191 2.442 0.963 0.615 0.929 0.762 CB 1.763 127 residues pruned to eliminate duplicates Z: 36 43.291 2.377 1.014 0.532 0.943 0.714 CB 1.571 36 residues pruned to eliminate duplicates Z: 27 32.972 2.203 0.824 0.541 0.923 0.615 CB 1.675 27 residues pruned to eliminate duplicates Z: 83 55.293 2.265 0.765 0.557 0.915 0.585 CB 1.580 83 residues pruned to eliminate duplicates Z: 8 5.470 1.523 0.681 0.596 0.857 0.857 CB 0.860 8 residues pruned to eliminate duplicates Z: 6 4.054 1.902 -0.269 0.722 1.000 0.600 CB 1.068 Z: 25 34.349 2.023 0.593 0.864 1.000 0.875 CA 1.595 25 residues pruned to eliminate duplicates Z: 6 9.160 1.664 0.460 0.787 1.000 1.000 CA 1.310 6 residues pruned to eliminate duplicates Z: 9 9.250 1.435 0.584 0.853 1.000 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 10 9.406 1.839 0.446 0.558 0.889 0.667 N 1.254 Z: 12 16.731 2.170 0.632 0.551 0.818 0.727 CB 1.656 12 residues pruned to eliminate duplicates Z: 9 5.771 1.687 0.499 0.479 0.875 0.750 CB 0.941 9 residues pruned to eliminate duplicates Z: 18 20.343 1.933 0.617 0.585 1.000 0.647 CB 1.455 18 residues pruned to eliminate duplicates Z: 6 8.448 2.157 0.301 0.699 0.800 0.800 CB 1.404 6 residues pruned to eliminate duplicates Z: 7 5.397 1.722 -0.199 0.725 1.000 0.500 CB 1.304 7 residues pruned to eliminate duplicates Z: 49 42.934 2.186 0.620 0.637 0.958 0.771 CB 1.606 49 residues pruned to eliminate duplicates Z: 110 80.221 2.327 1.048 0.586 0.927 0.697 CB 1.602 110 residues pruned to eliminate duplicates Z: 47 54.365 2.295 1.063 0.642 0.935 0.739 CB 1.585 47 residues pruned to eliminate duplicates Z: 113 78.520 2.298 1.028 0.570 0.929 0.634 CB 1.602 113 residues pruned to eliminate duplicates Z: 9 11.593 1.938 0.464 0.545 0.875 0.625 CA 1.579 9 residues pruned to eliminate duplicates Z: 91 78.422 2.438 1.025 0.589 0.900 0.622 CB 1.708 91 residues pruned to eliminate duplicates Z: 9 3.118 1.539 0.088 0.578 0.875 0.625 CB 0.698 6 residues pruned to eliminate duplicates Z: 16 13.458 1.513 0.710 0.886 0.933 0.600 CB 1.038 16 residues pruned to eliminate duplicates Z: 35 58.145 2.448 1.151 0.720 0.882 0.794 CB 1.759 35 residues pruned to eliminate duplicates Z: 15 14.460 1.600 0.634 0.911 1.000 0.714 CB 1.047 15 residues pruned to eliminate duplicates Z: 17 25.416 2.002 0.553 0.897 1.000 0.812 CB 1.463 17 residues pruned to eliminate duplicates Z: 9 12.616 1.991 0.527 0.642 0.875 0.750 CA 1.468 9 residues pruned to eliminate duplicates Z: 75 60.974 2.213 0.959 0.631 0.946 0.649 CB 1.527 75 residues pruned to eliminate duplicates Z: 13 9.746 1.849 0.209 0.618 1.000 0.750 CB 1.126 13 residues pruned to eliminate duplicates 6 0.858 1.542 -0.234 0.438 0.800 0.600 CB 0.433 ? Z: 33 44.707 2.218 0.687 0.777 0.969 0.875 CB 1.707 33 residues pruned to eliminate duplicates Z: 11 12.590 1.938 0.320 0.716 1.000 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 10 13.393 1.964 1.074 0.639 1.000 1.000 CB 0.963 Z: 19 30.283 2.079 1.048 0.598 0.944 0.722 CB 1.616 19 residues pruned to eliminate duplicates Z: 22 38.176 2.137 0.826 0.913 0.952 0.762 CB 1.586 22 residues pruned to eliminate duplicates Z: 22 67.886 2.632 1.141 0.942 1.000 0.905 CB 1.822 22 residues pruned to eliminate duplicates Z: 88 64.781 2.284 0.972 0.568 0.931 0.747 CB 1.551 88 residues pruned to eliminate duplicates Z: 10 23.064 2.327 0.847 0.899 1.000 0.778 CB 1.279 10 residues pruned to eliminate duplicates Z: 11 10.189 1.688 0.576 0.615 0.800 0.600 N 1.358 11 residues pruned to eliminate duplicates Z: 121 79.586 2.281 0.990 0.570 0.933 0.650 CB 1.603 121 residues pruned to eliminate duplicates Z: 16 29.484 2.166 0.984 0.756 0.933 0.800 CB 1.511 16 residues pruned to eliminate duplicates Z: 21 22.333 2.106 0.796 0.439 0.900 0.550 CB 1.562 21 residues pruned to eliminate duplicates Z: 47 35.638 2.106 0.759 0.545 0.957 0.696 CB 1.419 47 residues pruned to eliminate duplicates Z: 15 15.264 1.625 0.535 0.882 1.000 0.786 CB 1.184 15 residues pruned to eliminate duplicates Z: 70 47.287 2.217 0.876 0.467 0.913 0.580 CB 1.550 70 residues pruned to eliminate duplicates Z: 10 5.554 1.719 -0.180 0.696 1.000 0.778 CB 1.098 9 residues pruned to eliminate duplicates Z: 19 14.015 1.834 0.428 0.523 0.889 0.722 CB 1.386 19 residues pruned to eliminate duplicates Z: 6 8.522 2.145 0.910 0.421 0.800 0.600 CB 1.263 6 residues pruned to eliminate duplicates Z: 9 6.251 1.751 0.847 0.612 1.000 0.500 CB 0.615 Z: 10 3.990 1.535 0.044 0.464 0.889 0.444 CB 0.969 Z: 63 41.412 2.126 0.899 0.556 0.903 0.694 CB 1.367 63 residues pruned to eliminate duplicates Z: 107 59.129 2.136 0.810 0.554 0.943 0.689 CB 1.493 107 residues pruned to eliminate duplicates Z: 59 51.101 2.281 1.039 0.512 0.931 0.690 CB 1.532 59 residues pruned to eliminate duplicates Z: 80 47.256 2.109 0.799 0.527 0.937 0.633 CB 1.456 80 residues pruned to eliminate duplicates Z: 88 69.985 2.296 1.033 0.580 0.943 0.655 CB 1.580 88 residues pruned to eliminate duplicates Z: 20 28.899 2.114 0.955 0.604 0.947 0.684 CB 1.534 20 residues pruned to eliminate duplicates Z: 6 3.089 1.476 0.134 0.612 1.000 0.400 CB 0.742 Z: 19 15.827 1.863 0.544 0.514 1.000 0.667 CB 1.279 19 residues pruned to eliminate duplicates Z: 44 61.807 2.480 1.056 0.643 0.953 0.744 CB 1.697 44 residues pruned to eliminate duplicates Z: 103 80.456 2.366 0.995 0.590 0.941 0.696 CB 1.645 103 residues pruned to eliminate duplicates Z: 13 7.641 1.647 0.448 0.405 0.917 0.500 N 1.115 13 residues pruned to eliminate duplicates Z: 60 48.664 2.220 0.857 0.542 0.932 0.627 CB 1.583 60 residues pruned to eliminate duplicates Z: 6 5.593 1.612 -0.066 0.800 1.000 1.000 CB 1.277 6 residues pruned to eliminate duplicates Z: 8 6.787 1.678 0.979 0.604 0.857 0.714 CB 0.816 Z: 6 4.093 1.713 -0.330 0.858 1.000 1.000 N 1.174 7 residues pruned to eliminate duplicates Z: 15 12.380 1.568 0.565 0.858 0.929 0.643 CB 1.069 15 residues pruned to eliminate duplicates Z: 21 42.602 2.196 0.896 0.922 1.000 0.900 CB 1.609 21 residues pruned to eliminate duplicates Z: 13 21.325 2.290 0.851 0.424 0.917 0.333 CB 1.713 13 residues pruned to eliminate duplicates Z: 11 26.347 2.270 0.712 0.728 1.000 0.700 CA 1.746 11 residues pruned to eliminate duplicates Z: 29 36.064 2.284 0.887 0.514 0.893 0.714 CB 1.747 29 residues pruned to eliminate duplicates Z: 21 29.377 2.142 0.384 0.905 1.000 0.850 CB 1.578 21 residues pruned to eliminate duplicates Z: 19 35.791 2.309 0.867 0.795 0.944 0.833 CB 1.601 19 residues pruned to eliminate duplicates Z: 20 68.043 2.571 1.291 0.941 1.000 0.842 CB 1.839 20 residues pruned to eliminate duplicates Z: 74 55.545 2.255 0.804 0.596 0.904 0.712 CB 1.613 74 residues pruned to eliminate duplicates Z: 11 19.591 1.865 0.900 0.709 1.000 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 7 4.586 1.553 0.070 0.727 1.000 0.500 CB 0.918 7 residues pruned to eliminate duplicates Z: 21 40.394 2.158 0.851 0.943 1.000 0.700 CB 1.567 21 residues pruned to eliminate duplicates Z: 10 16.281 2.019 0.928 0.496 0.889 0.556 CA 1.574 10 residues pruned to eliminate duplicates Z: 16 13.230 1.541 0.390 0.895 1.000 0.733 CB 1.144 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.265 1.723 0.465 0.483 1.000 0.400 CA 0.949 6 residues pruned to eliminate duplicates Z: 89 63.062 2.290 0.869 0.565 0.932 0.636 CB 1.582 89 residues pruned to eliminate duplicates Z: 25 31.617 2.212 0.934 0.525 0.875 0.583 CB 1.682 25 residues pruned to eliminate duplicates Z: 26 35.972 2.205 0.961 0.579 0.960 0.640 CB 1.607 26 residues pruned to eliminate duplicates Z: 27 30.849 2.123 0.849 0.522 0.923 0.615 CB 1.633 27 residues pruned to eliminate duplicates Z: 27 31.295 2.140 0.852 0.513 0.962 0.577 CB 1.589 27 residues pruned to eliminate duplicates Z: 25 34.779 2.253 0.842 0.538 0.958 0.583 CB 1.719 25 residues pruned to eliminate duplicates Z: 26 29.718 2.166 0.745 0.494 0.960 0.600 CB 1.648 26 residues pruned to eliminate duplicates Z: 24 31.633 2.229 0.823 0.531 0.957 0.652 CB 1.646 24 residues pruned to eliminate duplicates Z: 113 73.793 2.299 0.930 0.561 0.929 0.643 CB 1.594 113 residues pruned to eliminate duplicates Z: 111 74.314 2.323 0.945 0.552 0.927 0.609 CB 1.608 111 residues pruned to eliminate duplicates Z: 122 79.353 2.293 0.977 0.561 0.926 0.678 CB 1.621 122 residues pruned to eliminate duplicates Z: 25 34.466 2.222 0.956 0.539 0.917 0.583 CB 1.700 25 residues pruned to eliminate duplicates Z: 75 61.565 2.228 0.898 0.615 0.932 0.676 CB 1.628 75 residues pruned to eliminate duplicates Z: 24 35.967 2.269 0.859 0.569 0.957 0.652 CB 1.739 24 residues pruned to eliminate duplicates Z: 23 35.501 2.295 0.881 0.535 0.955 0.591 CB 1.775 23 residues pruned to eliminate duplicates Z: 26 33.436 2.200 0.758 0.557 0.960 0.600 CB 1.704 26 residues pruned to eliminate duplicates Z: 24 34.742 2.265 0.857 0.539 0.957 0.652 CB 1.732 24 residues pruned to eliminate duplicates Z: 26 30.114 2.143 0.910 0.520 0.920 0.640 CB 1.568 26 residues pruned to eliminate duplicates Z: 71 55.372 2.303 0.808 0.560 0.929 0.614 CB 1.615 71 residues pruned to eliminate duplicates Z: 110 76.646 2.341 0.919 0.554 0.945 0.661 CB 1.641 110 residues pruned to eliminate duplicates Z: 33 33.358 2.154 0.927 0.552 0.938 0.656 CB 1.441 33 residues pruned to eliminate duplicates Z: 112 73.132 2.325 0.865 0.559 0.937 0.676 CB 1.612 112 residues pruned to eliminate duplicates Z: 88 63.993 2.303 0.874 0.569 0.920 0.632 CB 1.617 88 residues pruned to eliminate duplicates Z: 112 73.326 2.311 0.889 0.565 0.937 0.676 CB 1.599 112 residues pruned to eliminate duplicates Z: 121 75.831 2.311 0.895 0.555 0.917 0.658 CB 1.635 121 residues pruned to eliminate duplicates Z: 111 78.205 2.329 0.936 0.572 0.945 0.682 CB 1.632 111 residues pruned to eliminate duplicates Z: 112 76.386 2.321 0.920 0.560 0.946 0.676 CB 1.622 112 residues pruned to eliminate duplicates Z: 111 79.004 2.343 0.950 0.580 0.936 0.664 CB 1.630 111 residues pruned to eliminate duplicates Z: 85 60.110 2.283 0.859 0.561 0.929 0.631 CB 1.568 85 residues pruned to eliminate duplicates Z: 113 72.219 2.246 0.853 0.587 0.938 0.688 CB 1.609 113 residues pruned to eliminate duplicates Z: 111 76.889 2.326 0.956 0.568 0.927 0.673 CB 1.627 111 residues pruned to eliminate duplicates Z: 102 69.219 2.306 0.888 0.559 0.931 0.614 CB 1.605 102 residues pruned to eliminate duplicates Z: 92 61.009 2.255 0.902 0.543 0.912 0.615 CB 1.568 92 residues pruned to eliminate duplicates Z: 111 76.350 2.340 0.941 0.562 0.927 0.645 CB 1.628 111 residues pruned to eliminate duplicates Z: 103 76.096 2.315 0.997 0.582 0.951 0.647 CB 1.585 103 residues pruned to eliminate duplicates Z: 88 62.344 2.298 0.858 0.564 0.920 0.655 CB 1.600 88 residues pruned to eliminate duplicates Z: 121 84.724 2.323 1.023 0.581 0.933 0.667 CB 1.631 121 residues pruned to eliminate duplicates Z: 87 69.293 2.323 0.974 0.568 0.942 0.663 CB 1.620 87 residues pruned to eliminate duplicates Z: 112 72.722 2.314 0.928 0.548 0.928 0.604 CB 1.592 112 residues pruned to eliminate duplicates Z: 112 76.545 2.300 0.978 0.573 0.937 0.685 CB 1.589 112 residues pruned to eliminate duplicates Z: 116 74.905 2.288 0.992 0.538 0.930 0.678 CB 1.587 116 residues pruned to eliminate duplicates Z: 92 76.970 2.358 1.018 0.590 0.945 0.703 CB 1.646 92 residues pruned to eliminate duplicates Z: 89 64.297 2.289 0.997 0.556 0.909 0.682 CB 1.561 89 residues pruned to eliminate duplicates Z: 121 85.298 2.315 1.067 0.566 0.942 0.633 CB 1.622 121 residues pruned to eliminate duplicates Z: 112 81.067 2.341 1.010 0.584 0.928 0.694 CB 1.625 112 residues pruned to eliminate duplicates Z: 112 75.384 2.314 0.958 0.568 0.937 0.631 CB 1.579 112 residues pruned to eliminate duplicates Z: 120 82.388 2.327 1.004 0.567 0.924 0.672 CB 1.642 120 residues pruned to eliminate duplicates Z: 112 76.503 2.298 0.984 0.562 0.946 0.676 CB 1.586 112 residues pruned to eliminate duplicates Z: 120 87.108 2.328 1.057 0.589 0.933 0.681 CB 1.642 120 residues pruned to eliminate duplicates Z: 114 76.891 2.301 1.011 0.558 0.938 0.655 CB 1.575 114 residues pruned to eliminate duplicates Z: 113 79.968 2.314 1.038 0.569 0.938 0.652 CB 1.599 113 residues pruned to eliminate duplicates Z: 153 97.678 2.364 1.053 0.572 0.921 0.651 CB 1.654 100 residues pruned to eliminate duplicates Z: 7 10.751 1.751 0.825 0.470 1.000 0.667 CB 1.415 7 residues pruned to eliminate duplicates Z: 62 49.951 2.277 1.077 0.474 0.902 0.590 CB 1.540 62 residues pruned to eliminate duplicates Z: 112 75.402 2.316 0.969 0.563 0.919 0.658 CB 1.607 111 residues pruned to eliminate duplicates Z: 6 7.979 1.724 0.797 0.289 1.000 0.400 CA 1.460 6 residues pruned to eliminate duplicates Z: 90 73.981 2.296 1.082 0.594 0.944 0.708 CB 1.589 90 residues pruned to eliminate duplicates Z: 60 47.303 2.197 0.854 0.525 0.915 0.610 CB 1.611 60 residues pruned to eliminate duplicates Z: 70 61.931 2.315 0.984 0.583 0.928 0.696 CB 1.616 71 residues pruned to eliminate duplicates Z: 6 4.345 1.720 0.763 0.389 0.800 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 68 57.379 2.318 1.080 0.511 0.881 0.627 CB 1.632 68 residues pruned to eliminate duplicates Z: 59 50.724 2.340 0.963 0.485 0.914 0.586 CB 1.612 59 residues pruned to eliminate duplicates Z: 36 31.489 2.264 0.892 0.428 0.886 0.600 CB 1.511 36 residues pruned to eliminate duplicates Z: 63 46.166 2.251 0.971 0.492 0.903 0.742 CB 1.475 63 residues pruned to eliminate duplicates Z: 93 74.884 2.351 1.034 0.594 0.935 0.717 CB 1.597 93 residues pruned to eliminate duplicates Z: 67 55.039 2.311 1.057 0.513 0.909 0.697 CB 1.547 67 residues pruned to eliminate duplicates Z: 85 72.936 2.349 1.080 0.589 0.929 0.702 CB 1.611 85 residues pruned to eliminate duplicates Z: 88 68.944 2.300 1.033 0.586 0.920 0.632 CB 1.583 88 residues pruned to eliminate duplicates Z: 6 3.944 1.610 0.556 0.429 1.000 1.000 CB 0.758 6 residues pruned to eliminate duplicates Z: 115 67.267 2.232 1.019 0.500 0.921 0.623 CB 1.517 115 residues pruned to eliminate duplicates Z: 110 78.380 2.353 0.992 0.568 0.927 0.651 CB 1.618 111 residues pruned to eliminate duplicates Z: 6 9.101 2.088 0.691 0.437 1.000 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 98 68.879 2.277 0.999 0.550 0.897 0.680 CB 1.631 98 residues pruned to eliminate duplicates Z: 120 85.722 2.319 1.080 0.578 0.941 0.664 CB 1.605 120 residues pruned to eliminate duplicates Z: 7 8.790 1.761 0.942 0.425 1.000 0.667 CB 1.135 7 residues pruned to eliminate duplicates Z: 21 19.872 2.107 0.646 0.475 0.850 0.600 CB 1.546 21 residues pruned to eliminate duplicates Z: 59 54.094 2.345 1.131 0.498 0.897 0.655 CB 1.589 59 residues pruned to eliminate duplicates Z: 62 44.656 2.245 0.946 0.477 0.902 0.656 CB 1.486 62 residues pruned to eliminate duplicates Z: 21 26.331 2.114 1.031 0.480 0.850 0.650 CB 1.646 21 residues pruned to eliminate duplicates Z: 59 55.346 2.315 1.079 0.519 0.931 0.655 CB 1.592 59 residues pruned to eliminate duplicates Z: 57 45.065 2.302 0.957 0.501 0.893 0.696 CB 1.496 57 residues pruned to eliminate duplicates Z: 67 58.413 2.305 1.057 0.533 0.924 0.652 CB 1.589 67 residues pruned to eliminate duplicates Z: 113 77.938 2.314 1.014 0.571 0.938 0.661 CB 1.573 113 residues pruned to eliminate duplicates Z: 121 81.423 2.306 1.044 0.565 0.925 0.642 CB 1.602 121 residues pruned to eliminate duplicates Z: 60 50.971 2.329 1.015 0.483 0.898 0.678 CB 1.602 60 residues pruned to eliminate duplicates Z: 43 40.595 2.269 0.861 0.477 0.929 0.643 CB 1.635 43 residues pruned to eliminate duplicates Z: 21 20.988 2.163 0.777 0.438 0.850 0.700 CB 1.532 21 residues pruned to eliminate duplicates Z: 148 83.856 2.270 0.920 0.581 0.925 0.714 CB 1.586 148 residues pruned to eliminate duplicates Z: 12 12.654 1.880 0.875 0.353 1.000 0.636 CB 1.270 12 residues pruned to eliminate duplicates Z: 165 92.326 2.309 0.946 0.580 0.933 0.683 CB 1.593 111 residues pruned to eliminate duplicates Z: 6 3.814 1.619 0.838 0.278 0.800 0.000 CA 0.921 6 residues pruned to eliminate duplicates Z: 18 28.559 2.135 1.126 0.537 0.941 0.647 CA 1.564 18 residues pruned to eliminate duplicates Z: 75 60.594 2.269 0.830 0.586 0.946 0.689 CB 1.652 75 residues pruned to eliminate duplicates Z: 67 55.784 2.338 0.995 0.501 0.909 0.636 CB 1.618 67 residues pruned to eliminate duplicates Z: 10 23.479 2.261 0.996 0.618 0.889 0.889 CA 1.745 10 residues pruned to eliminate duplicates Z: 12 23.229 2.166 0.975 0.652 0.909 0.636 CA 1.564 12 residues pruned to eliminate duplicates Z: 17 30.070 2.250 1.129 0.540 0.875 0.812 CA 1.725 17 residues pruned to eliminate duplicates Z: 119 79.067 2.326 0.988 0.562 0.932 0.669 CB 1.590 119 residues pruned to eliminate duplicates Z: 121 80.349 2.309 1.005 0.558 0.925 0.667 CB 1.619 121 residues pruned to eliminate duplicates Z: 42 38.371 2.123 0.699 0.617 0.951 0.732 CB 1.565 42 residues pruned to eliminate duplicates Z: 150 85.992 2.274 0.943 0.575 0.926 0.725 CB 1.602 150 residues pruned to eliminate duplicates Z: 98 67.374 2.259 0.887 0.564 0.948 0.680 CB 1.590 98 residues pruned to eliminate duplicates Z: 32 28.049 2.049 0.640 0.581 0.903 0.645 CB 1.535 32 residues pruned to eliminate duplicates Z: 42 38.324 2.130 0.725 0.607 0.927 0.659 CB 1.588 42 residues pruned to eliminate duplicates Z: 150 86.029 2.281 0.906 0.582 0.940 0.718 CB 1.595 150 residues pruned to eliminate duplicates Z: 28 34.773 2.191 0.638 0.682 0.963 0.815 CB 1.638 28 residues pruned to eliminate duplicates Z: 28 33.875 2.170 0.713 0.643 0.926 0.741 CB 1.656 28 residues pruned to eliminate duplicates Z: 41 37.531 2.108 0.662 0.617 0.950 0.750 CB 1.596 41 residues pruned to eliminate duplicates Z: 32 28.905 2.060 0.578 0.616 0.935 0.806 CB 1.530 32 residues pruned to eliminate duplicates Z: 29 33.041 2.128 0.658 0.647 0.964 0.714 CB 1.600 29 residues pruned to eliminate duplicates Z: 28 37.046 2.187 0.689 0.704 0.963 0.852 CB 1.665 28 residues pruned to eliminate duplicates Z: 29 30.625 2.142 0.566 0.639 0.929 0.714 CB 1.631 29 residues pruned to eliminate duplicates Z: 28 36.039 2.180 0.682 0.687 0.963 0.778 CB 1.655 28 residues pruned to eliminate duplicates Z: 31 31.356 2.087 0.591 0.626 0.967 0.700 CB 1.584 31 residues pruned to eliminate duplicates Z: 48 43.294 2.133 0.770 0.601 0.915 0.745 CB 1.660 48 residues pruned to eliminate duplicates Z: 150 92.233 2.278 0.993 0.585 0.953 0.745 CB 1.610 150 residues pruned to eliminate duplicates Z: 29 31.405 2.139 0.602 0.651 0.929 0.821 CB 1.621 29 residues pruned to eliminate duplicates Z: 29 37.619 2.133 0.725 0.723 1.000 0.821 CB 1.580 29 residues pruned to eliminate duplicates Z: 29 32.995 2.122 0.658 0.666 0.964 0.750 CB 1.576 29 residues pruned to eliminate duplicates Z: 29 30.750 2.120 0.653 0.638 0.929 0.714 CB 1.570 29 residues pruned to eliminate duplicates Z: 17 28.968 2.027 0.682 0.904 1.000 0.812 CB 1.513 17 residues pruned to eliminate duplicates Z: 29 33.069 2.123 0.713 0.659 0.929 0.821 CB 1.597 29 residues pruned to eliminate duplicates Z: 29 34.064 2.127 0.741 0.658 0.929 0.786 CB 1.616 29 residues pruned to eliminate duplicates Z: 30 29.851 2.095 0.557 0.631 0.931 0.759 CB 1.612 30 residues pruned to eliminate duplicates Z: 30 28.821 2.101 0.570 0.616 0.931 0.759 CB 1.562 30 residues pruned to eliminate duplicates Z: 28 33.842 2.183 0.602 0.659 0.963 0.778 CB 1.669 28 residues pruned to eliminate duplicates Z: 29 34.030 2.136 0.673 0.656 0.964 0.786 CB 1.614 29 residues pruned to eliminate duplicates Z: 97 64.304 2.250 0.870 0.546 0.927 0.698 CB 1.608 97 residues pruned to eliminate duplicates Z: 28 38.387 2.184 0.685 0.691 1.000 0.778 CB 1.686 28 residues pruned to eliminate duplicates Z: 28 36.816 2.186 0.684 0.696 0.963 0.815 CB 1.671 28 residues pruned to eliminate duplicates Z: 44 46.866 2.248 0.780 0.646 0.953 0.814 CB 1.634 44 residues pruned to eliminate duplicates Z: 75 62.117 2.236 0.901 0.631 0.959 0.757 CB 1.565 75 residues pruned to eliminate duplicates Z: 25 35.304 2.250 0.484 0.856 1.000 1.000 CB 1.592 25 residues pruned to eliminate duplicates Z: 75 60.559 2.252 0.866 0.609 0.959 0.662 CB 1.575 75 residues pruned to eliminate duplicates Z: 106 63.892 2.185 0.855 0.583 0.943 0.714 CB 1.507 106 residues pruned to eliminate duplicates Z: 32 40.519 2.245 0.684 0.719 0.968 0.839 CB 1.633 33 residues pruned to eliminate duplicates Z: 22 39.904 2.343 0.614 0.942 1.000 0.905 CB 1.597 22 residues pruned to eliminate duplicates Z: 94 63.842 2.222 0.909 0.589 0.935 0.688 CB 1.533 94 residues pruned to eliminate duplicates Z: 107 62.502 2.169 0.860 0.577 0.943 0.679 CB 1.481 106 residues pruned to eliminate duplicates Z: 22 49.195 2.363 0.920 0.939 1.000 0.905 CB 1.644 22 residues pruned to eliminate duplicates Z: 44 53.543 2.264 0.988 0.640 0.977 0.674 CB 1.629 44 residues pruned to eliminate duplicates Z: 25 50.119 2.336 0.931 0.872 0.958 0.833 CB 1.725 25 residues pruned to eliminate duplicates Z: 107 68.005 2.168 0.985 0.592 0.943 0.651 CB 1.489 108 residues pruned to eliminate duplicates Z: 22 51.843 2.346 1.131 0.940 1.000 0.762 CB 1.572 22 residues pruned to eliminate duplicates Z: 107 65.113 2.175 0.951 0.568 0.943 0.670 CB 1.479 107 residues pruned to eliminate duplicates Z: 108 64.744 2.166 0.906 0.591 0.944 0.673 CB 1.472 108 residues pruned to eliminate duplicates Z: 108 64.673 2.165 0.937 0.566 0.935 0.654 CB 1.497 107 residues pruned to eliminate duplicates Z: 20 65.950 2.357 1.418 0.923 1.000 0.789 CB 1.866 20 residues pruned to eliminate duplicates Z: 107 64.802 2.165 0.919 0.589 0.943 0.717 CB 1.475 107 residues pruned to eliminate duplicates Z: 107 65.406 2.179 0.889 0.590 0.953 0.679 CB 1.486 107 residues pruned to eliminate duplicates Z: 85 67.495 2.206 1.024 0.602 0.964 0.702 CB 1.553 85 residues pruned to eliminate duplicates Z: 22 52.375 2.343 1.110 0.942 1.000 0.762 CB 1.603 22 residues pruned to eliminate duplicates Z: 45 50.218 2.224 0.987 0.625 0.955 0.636 CB 1.595 45 residues pruned to eliminate duplicates Z: 106 62.930 2.171 0.911 0.586 0.924 0.667 CB 1.476 106 residues pruned to eliminate duplicates Z: 107 66.750 2.190 0.928 0.570 0.962 0.670 CB 1.491 107 residues pruned to eliminate duplicates Z: 53 43.964 2.179 0.943 0.490 0.962 0.538 CB 1.514 53 residues pruned to eliminate duplicates Z: 47 43.231 2.179 0.898 0.598 0.935 0.609 CB 1.501 47 residues pruned to eliminate duplicates Z: 83 49.421 2.153 0.857 0.525 0.927 0.671 CB 1.437 83 residues pruned to eliminate duplicates Z: 82 60.666 2.203 0.891 0.600 0.975 0.716 CB 1.509 82 residues pruned to eliminate duplicates Z: 105 60.219 2.179 0.865 0.568 0.933 0.702 CB 1.458 107 residues pruned to eliminate duplicates Z: 6 4.271 1.766 0.883 0.189 0.800 0.200 CB 1.041 6 residues pruned to eliminate duplicates Z: 44 49.359 2.257 0.929 0.641 0.953 0.698 CB 1.589 44 residues pruned to eliminate duplicates Z: 44 49.766 2.244 0.921 0.629 0.977 0.628 CB 1.596 44 residues pruned to eliminate duplicates Z: 58 53.379 2.250 0.938 0.603 0.947 0.684 CB 1.553 58 residues pruned to eliminate duplicates Z: 15 23.003 2.316 0.888 0.383 0.929 0.571 CB 1.716 15 residues pruned to eliminate duplicates Z: 106 68.176 2.195 0.987 0.593 0.933 0.695 CB 1.495 106 residues pruned to eliminate duplicates Z: 75 63.108 2.251 0.983 0.595 0.959 0.743 CB 1.565 75 residues pruned to eliminate duplicates Z: 108 63.996 2.168 0.913 0.579 0.935 0.664 CB 1.479 108 residues pruned to eliminate duplicates Z: 106 64.898 2.193 0.876 0.605 0.943 0.752 CB 1.477 106 residues pruned to eliminate duplicates Z: 80 51.750 2.160 0.854 0.537 0.949 0.684 CB 1.477 80 residues pruned to eliminate duplicates Z: 33 37.705 2.227 0.876 0.585 0.938 0.750 CB 1.568 33 residues pruned to eliminate duplicates Z: 107 62.401 2.180 0.862 0.569 0.943 0.698 CB 1.480 107 residues pruned to eliminate duplicates Z: 40 33.644 2.072 0.930 0.537 0.897 0.744 CB 1.448 40 residues pruned to eliminate duplicates Z: 13 25.390 2.280 0.910 0.588 1.000 0.750 CB 1.547 13 residues pruned to eliminate duplicates Z: 63 41.723 2.112 0.841 0.541 0.935 0.645 CB 1.400 63 residues pruned to eliminate duplicates Z: 31 40.866 2.258 1.104 0.592 0.933 0.700 CB 1.541 31 residues pruned to eliminate duplicates Z: 62 42.942 2.153 0.911 0.555 0.918 0.689 CB 1.379 62 residues pruned to eliminate duplicates Z: 31 39.067 2.192 1.091 0.629 0.933 0.733 CB 1.476 31 residues pruned to eliminate duplicates Z: 33 34.842 2.177 1.033 0.562 0.906 0.750 CB 1.446 33 residues pruned to eliminate duplicates Z: 13 27.412 2.287 1.287 0.608 0.917 0.917 CB 1.490 13 residues pruned to eliminate duplicates Z: 16 17.065 2.103 1.168 0.513 0.867 0.600 CB 1.101 16 residues pruned to eliminate duplicates Z: 40 38.374 2.163 1.033 0.557 0.923 0.667 CB 1.433 40 residues pruned to eliminate duplicates Z: 14 24.153 2.250 1.184 0.577 0.923 0.615 CB 1.371 14 residues pruned to eliminate duplicates Z: 63 46.095 2.145 1.003 0.547 0.919 0.694 CB 1.415 63 residues pruned to eliminate duplicates Z: 67 41.197 2.102 0.821 0.523 0.924 0.621 CB 1.401 67 residues pruned to eliminate duplicates Z: 63 42.416 2.145 0.857 0.558 0.903 0.694 CB 1.415 63 residues pruned to eliminate duplicates Z: 64 43.411 2.121 0.923 0.541 0.921 0.683 CB 1.399 64 residues pruned to eliminate duplicates Z: 27 30.302 2.186 0.795 0.557 0.923 0.692 CB 1.552 27 residues pruned to eliminate duplicates Z: 41 35.356 2.169 0.951 0.537 0.900 0.625 CB 1.416 41 residues pruned to eliminate duplicates Z: 26 34.181 2.214 1.110 0.555 0.880 0.680 CB 1.576 26 residues pruned to eliminate duplicates Z: 62 43.220 2.121 0.938 0.593 0.902 0.705 CB 1.366 62 residues pruned to eliminate duplicates Z: 38 32.793 2.116 0.987 0.498 0.865 0.595 CB 1.485 38 residues pruned to eliminate duplicates Z: 33 22.510 2.061 0.745 0.447 0.812 0.625 CB 1.438 33 residues pruned to eliminate duplicates Z: 62 44.828 2.158 0.992 0.565 0.902 0.689 CB 1.392 62 residues pruned to eliminate duplicates Z: 31 38.961 2.265 1.145 0.562 0.900 0.667 CB 1.532 31 residues pruned to eliminate duplicates Z: 30 39.080 2.273 1.069 0.538 0.966 0.690 CB 1.539 30 residues pruned to eliminate duplicates Z: 64 41.256 2.121 0.862 0.494 0.937 0.667 CB 1.414 64 residues pruned to eliminate duplicates Z: 17 36.639 2.274 1.043 0.663 1.000 0.688 CB 1.695 17 residues pruned to eliminate duplicates Z: 61 43.913 2.174 0.841 0.537 0.933 0.667 CB 1.463 61 residues pruned to eliminate duplicates Z: 32 36.660 2.241 1.067 0.532 0.935 0.677 CB 1.472 32 residues pruned to eliminate duplicates Z: 62 44.755 2.157 0.974 0.551 0.918 0.689 CB 1.395 62 residues pruned to eliminate duplicates Z: 7 3.120 1.556 0.057 0.395 0.833 0.500 CB 1.038 7 residues pruned to eliminate duplicates Z: 64 39.258 2.093 0.805 0.542 0.905 0.698 CB 1.389 64 residues pruned to eliminate duplicates Z: 63 41.252 2.114 0.806 0.525 0.935 0.677 CB 1.432 63 residues pruned to eliminate duplicates Z: 51 39.059 2.119 0.920 0.533 0.940 0.680 CB 1.397 51 residues pruned to eliminate duplicates Z: 49 38.303 2.113 0.806 0.561 0.938 0.729 CB 1.457 49 residues pruned to eliminate duplicates Z: 36 22.894 1.928 0.761 0.506 0.914 0.657 CB 1.239 36 residues pruned to eliminate duplicates Z: 62 40.853 2.123 0.904 0.542 0.885 0.721 CB 1.403 62 residues pruned to eliminate duplicates Z: 23 25.793 2.099 0.845 0.641 0.909 0.727 CB 1.369 23 residues pruned to eliminate duplicates Z: 62 41.339 2.157 0.854 0.513 0.918 0.672 CB 1.423 63 residues pruned to eliminate duplicates Z: 7 8.437 1.821 0.811 0.290 0.833 0.333 C 1.588 7 residues pruned to eliminate duplicates Z: 25 23.926 2.093 0.869 0.566 0.917 0.583 CB 1.278 24 residues pruned to eliminate duplicates Z: 6 3.990 1.481 0.867 0.333 0.800 0.600 CA 0.968 6 residues pruned to eliminate duplicates Z: 64 42.244 2.111 0.875 0.532 0.937 0.698 CB 1.391 64 residues pruned to eliminate duplicates Z: 52 47.556 2.184 1.117 0.568 0.941 0.706 CB 1.433 52 residues pruned to eliminate duplicates Z: 24 28.120 2.126 0.898 0.641 0.957 0.696 CB 1.331 24 residues pruned to eliminate duplicates Z: 64 45.906 2.118 1.011 0.556 0.921 0.730 CB 1.396 64 residues pruned to eliminate duplicates Z: 51 38.999 2.125 0.957 0.529 0.900 0.740 CB 1.432 51 residues pruned to eliminate duplicates Z: 13 13.039 1.712 0.482 0.854 0.917 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 14 14.304 1.643 0.595 0.878 1.000 0.846 CB 1.099 14 residues pruned to eliminate duplicates Z: 15 15.659 1.631 0.564 0.907 1.000 0.643 CB 1.166 15 residues pruned to eliminate duplicates Z: 16 15.204 1.555 0.651 0.895 1.000 0.733 CB 1.096 15 residues pruned to eliminate duplicates Z: 16 15.515 1.565 0.621 0.895 1.000 0.733 CB 1.132 16 residues pruned to eliminate duplicates Z: 16 15.709 1.561 0.614 0.913 1.000 0.800 CB 1.139 16 residues pruned to eliminate duplicates Z: 15 14.097 1.599 0.434 0.925 1.000 1.000 CB 1.152 15 residues pruned to eliminate duplicates Z: 16 13.772 1.563 0.611 0.863 0.933 0.800 CB 1.110 16 residues pruned to eliminate duplicates Z: 13 15.453 1.734 0.539 0.858 1.000 0.667 CB 1.231 13 residues pruned to eliminate duplicates Z: 16 14.444 1.569 0.650 0.870 0.933 0.733 CB 1.127 16 residues pruned to eliminate duplicates Z: 16 15.275 1.563 0.621 0.893 1.000 0.933 CB 1.117 16 residues pruned to eliminate duplicates Z: 16 15.564 1.556 0.650 0.900 1.000 0.867 CB 1.119 16 residues pruned to eliminate duplicates Z: 7 6.616 1.560 0.309 0.510 1.000 0.833 C 1.309 7 residues pruned to eliminate duplicates Z: 19 17.478 1.889 0.617 0.537 0.944 0.722 CB 1.378 19 residues pruned to eliminate duplicates Z: 8 8.570 1.563 0.668 0.654 1.000 0.857 CA 1.076 8 residues pruned to eliminate duplicates Z: 18 19.834 1.941 0.624 0.552 1.000 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 19 18.368 1.864 0.649 0.594 0.944 0.611 CB 1.364 19 residues pruned to eliminate duplicates Z: 9 7.951 1.679 0.708 0.454 0.875 0.375 CA 1.175 9 residues pruned to eliminate duplicates Z: 19 16.587 1.868 0.484 0.547 0.944 0.667 CB 1.426 19 residues pruned to eliminate duplicates Z: 20 16.218 1.804 0.583 0.549 0.947 0.474 CB 1.312 20 residues pruned to eliminate duplicates Z: 18 16.963 1.945 0.529 0.579 0.882 0.647 CB 1.453 18 residues pruned to eliminate duplicates Z: 19 17.606 1.890 0.574 0.526 1.000 0.667 CB 1.360 19 residues pruned to eliminate duplicates Z: 18 17.701 1.936 0.527 0.573 0.941 0.706 CB 1.438 18 residues pruned to eliminate duplicates Z: 18 20.036 1.925 0.552 0.630 1.000 0.647 CB 1.440 18 residues pruned to eliminate duplicates Z: 18 17.306 1.912 0.583 0.579 0.882 0.647 CB 1.456 18 residues pruned to eliminate duplicates Z: 7 9.653 1.675 0.626 0.544 1.000 0.833 CA 1.387 7 residues pruned to eliminate duplicates Z: 19 18.008 1.854 0.585 0.588 0.944 0.667 CB 1.406 19 residues pruned to eliminate duplicates Z: 68 70.994 2.491 0.984 0.598 0.896 0.672 CB 1.785 68 residues pruned to eliminate duplicates Z: 152 108.946 2.444 0.938 0.627 0.947 0.728 CB 1.753 152 residues pruned to eliminate duplicates Z: 152 107.933 2.442 0.935 0.617 0.947 0.715 CB 1.758 152 residues pruned to eliminate duplicates Z: 85 77.810 2.454 0.928 0.597 0.929 0.655 CB 1.760 85 residues pruned to eliminate duplicates Z: 100 88.380 2.482 0.986 0.587 0.939 0.687 CB 1.764 100 residues pruned to eliminate duplicates Z: 64 75.151 2.476 0.953 0.623 0.968 0.651 CB 1.802 64 residues pruned to eliminate duplicates Z: 100 92.473 2.488 1.010 0.600 0.960 0.707 CB 1.760 100 residues pruned to eliminate duplicates Z: 152 100.276 2.422 0.896 0.605 0.927 0.695 CB 1.735 152 residues pruned to eliminate duplicates Z: 70 74.017 2.497 0.923 0.613 0.928 0.638 CB 1.798 70 residues pruned to eliminate duplicates Z: 24 36.675 2.375 0.899 0.564 0.913 0.609 CB 1.745 Z: 6 4.572 1.762 0.297 0.411 0.800 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 152 106.085 2.423 0.952 0.614 0.954 0.709 CB 1.718 176 residues pruned to eliminate duplicates Z: 102 82.329 2.441 0.977 0.583 0.921 0.703 CB 1.702 102 residues pruned to eliminate duplicates Z: 71 67.871 2.473 0.820 0.589 0.943 0.686 CB 1.756 71 residues pruned to eliminate duplicates Z: 151 101.577 2.430 0.936 0.591 0.927 0.707 CB 1.744 151 residues pruned to eliminate duplicates Z: 70 73.727 2.461 0.960 0.599 0.942 0.710 CB 1.778 70 residues pruned to eliminate duplicates Z: 152 106.838 2.439 0.949 0.608 0.954 0.709 CB 1.731 152 residues pruned to eliminate duplicates Z: 67 75.273 2.515 1.018 0.599 0.939 0.682 CB 1.768 67 residues pruned to eliminate duplicates Z: 152 105.677 2.438 0.963 0.609 0.934 0.735 CB 1.735 152 residues pruned to eliminate duplicates Z: 152 104.964 2.437 0.965 0.608 0.940 0.715 CB 1.712 152 residues pruned to eliminate duplicates Z: 100 89.089 2.479 1.023 0.600 0.929 0.707 CB 1.746 100 residues pruned to eliminate duplicates Z: 153 102.937 2.427 0.904 0.612 0.941 0.717 CB 1.728 153 residues pruned to eliminate duplicates Z: 69 72.060 2.497 0.879 0.608 0.941 0.676 CB 1.786 69 residues pruned to eliminate duplicates Z: 66 66.879 2.420 0.888 0.605 0.938 0.723 CB 1.750 66 residues pruned to eliminate duplicates Z: 57 69.991 2.513 0.904 0.664 0.982 0.768 CB 1.710 57 residues pruned to eliminate duplicates Z: 76 84.384 2.522 1.049 0.627 0.947 0.760 CB 1.767 76 residues pruned to eliminate duplicates Z: 152 104.200 2.424 0.943 0.596 0.940 0.728 CB 1.746 152 residues pruned to eliminate duplicates Z: 100 96.896 2.504 1.085 0.608 0.960 0.707 CB 1.754 100 residues pruned to eliminate duplicates Z: 152 108.543 2.441 0.993 0.614 0.940 0.702 CB 1.733 152 residues pruned to eliminate duplicates Z: 152 104.399 2.433 0.950 0.608 0.927 0.715 CB 1.743 152 residues pruned to eliminate duplicates Z: 55 63.180 2.491 0.955 0.585 0.944 0.667 CB 1.722 55 residues pruned to eliminate duplicates Z: 71 69.857 2.464 0.943 0.579 0.929 0.671 CB 1.740 71 residues pruned to eliminate duplicates Z: 86 87.867 2.486 1.108 0.598 0.941 0.718 CB 1.761 86 residues pruned to eliminate duplicates Z: 79 84.418 2.475 1.159 0.609 0.923 0.744 CB 1.747 79 residues pruned to eliminate duplicates Z: 153 105.216 2.439 0.959 0.612 0.928 0.724 CB 1.732 153 residues pruned to eliminate duplicates Z: 61 69.017 2.475 0.998 0.624 0.933 0.683 CB 1.717 61 residues pruned to eliminate duplicates Z: 127 105.993 2.460 1.035 0.621 0.952 0.730 CB 1.766 127 residues pruned to eliminate duplicates Z: 100 95.294 2.495 1.070 0.607 0.960 0.687 CB 1.746 100 residues pruned to eliminate duplicates Z: 71 73.542 2.477 0.983 0.592 0.929 0.657 CB 1.765 71 residues pruned to eliminate duplicates Z: 76 85.376 2.516 1.143 0.609 0.947 0.693 CB 1.742 76 residues pruned to eliminate duplicates Z: 44 68.071 2.563 1.001 0.648 0.953 0.721 CB 1.849 44 residues pruned to eliminate duplicates Z: 85 75.876 2.430 0.980 0.587 0.952 0.667 CB 1.663 85 residues pruned to eliminate duplicates Z: 152 115.274 2.445 1.020 0.630 0.954 0.748 CB 1.763 152 residues pruned to eliminate duplicates Z: 153 100.091 2.400 0.966 0.589 0.928 0.704 CB 1.703 153 residues pruned to eliminate duplicates Z: 128 104.127 2.450 1.017 0.631 0.937 0.724 CB 1.764 128 residues pruned to eliminate duplicates Z: 153 108.088 2.431 1.013 0.618 0.934 0.704 CB 1.715 153 residues pruned to eliminate duplicates Z: 129 104.190 2.449 1.043 0.625 0.945 0.703 CB 1.731 129 residues pruned to eliminate duplicates Z: 67 77.329 2.521 1.040 0.598 0.939 0.697 CB 1.794 67 residues pruned to eliminate duplicates Z: 152 105.729 2.432 0.976 0.608 0.927 0.695 CB 1.743 152 residues pruned to eliminate duplicates Z: 55 49.990 2.393 1.054 0.465 0.870 0.574 CB 1.649 55 residues pruned to eliminate duplicates Z: 85 77.908 2.464 1.068 0.575 0.905 0.655 CB 1.716 85 residues pruned to eliminate duplicates Z: 152 99.451 2.428 0.931 0.577 0.927 0.689 CB 1.730 152 residues pruned to eliminate duplicates Z: 58 60.423 2.401 1.130 0.570 0.877 0.596 CB 1.667 58 residues pruned to eliminate duplicates Z: 35 29.272 2.281 0.885 0.411 0.824 0.500 CB 1.556 35 residues pruned to eliminate duplicates Z: 101 93.785 2.475 1.191 0.597 0.910 0.670 CB 1.733 101 residues pruned to eliminate duplicates Z: 52 61.595 2.459 1.149 0.518 0.941 0.627 CB 1.703 52 residues pruned to eliminate duplicates Z: 17 10.785 2.038 0.568 0.288 0.750 0.562 CB 1.427 17 residues pruned to eliminate duplicates Z: 77 89.419 2.518 1.201 0.625 0.934 0.697 CB 1.762 77 residues pruned to eliminate duplicates Z: 152 105.516 2.427 0.994 0.598 0.934 0.722 CB 1.730 152 residues pruned to eliminate duplicates Z: 101 92.323 2.484 1.113 0.584 0.940 0.700 CB 1.727 101 residues pruned to eliminate duplicates Z: 83 75.875 2.465 1.031 0.583 0.890 0.634 CB 1.736 83 residues pruned to eliminate duplicates Z: 109 96.494 2.509 1.103 0.592 0.935 0.694 CB 1.724 109 residues pruned to eliminate duplicates Z: 151 113.142 2.448 1.041 0.625 0.940 0.667 CB 1.749 151 residues pruned to eliminate duplicates Z: 154 110.094 2.410 1.005 0.625 0.954 0.719 CB 1.716 154 residues pruned to eliminate duplicates Z: 108 92.125 2.448 1.141 0.583 0.916 0.710 CB 1.713 108 residues pruned to eliminate duplicates Z: 76 87.471 2.516 1.193 0.616 0.933 0.733 CB 1.757 76 residues pruned to eliminate duplicates Z: 153 100.896 2.411 0.982 0.602 0.908 0.671 CB 1.712 153 residues pruned to eliminate duplicates Z: 104 81.116 2.405 0.954 0.583 0.913 0.689 CB 1.720 104 residues pruned to eliminate duplicates Z: 130 96.290 2.409 1.008 0.633 0.922 0.690 CB 1.677 130 residues pruned to eliminate duplicates Z: 102 87.618 2.452 1.102 0.586 0.911 0.673 CB 1.710 102 residues pruned to eliminate duplicates Z: 84 73.399 2.370 0.927 0.613 0.940 0.759 CB 1.686 84 residues pruned to eliminate duplicates Z: 15 29.802 2.391 1.227 0.561 0.929 0.500 CB 1.519 15 residues pruned to eliminate duplicates Z: 84 78.322 2.372 1.012 0.629 0.940 0.747 CB 1.698 84 residues pruned to eliminate duplicates Z: 75 92.550 2.541 1.200 0.643 0.959 0.716 CB 1.755 75 residues pruned to eliminate duplicates Z: 108 96.608 2.490 1.114 0.596 0.935 0.710 CB 1.732 108 residues pruned to eliminate duplicates Z: 85 71.308 2.339 0.928 0.608 0.917 0.738 CB 1.700 85 residues pruned to eliminate duplicates Z: 30 25.759 2.180 0.808 0.446 0.828 0.552 CB 1.550 30 residues pruned to eliminate duplicates Z: 100 90.273 2.492 1.087 0.601 0.909 0.697 CB 1.743 100 residues pruned to eliminate duplicates Z: 109 93.980 2.506 1.072 0.587 0.935 0.731 CB 1.714 109 residues pruned to eliminate duplicates Z: 34 50.422 2.350 1.277 0.602 0.939 0.788 CB 1.584 34 residues pruned to eliminate duplicates Z: 30 62.905 2.526 1.405 0.624 0.966 0.759 CB 1.771 30 residues pruned to eliminate duplicates Z: 76 89.336 2.530 1.135 0.617 0.960 0.707 CB 1.781 76 residues pruned to eliminate duplicates Z: 53 56.848 2.392 1.176 0.516 0.885 0.615 CB 1.685 53 residues pruned to eliminate duplicates Z: 155 99.893 2.387 0.979 0.594 0.916 0.688 CB 1.701 155 residues pruned to eliminate duplicates Z: 129 98.707 2.447 0.959 0.627 0.922 0.727 CB 1.752 129 residues pruned to eliminate duplicates Z: 101 89.415 2.477 1.111 0.587 0.920 0.660 CB 1.709 101 residues pruned to eliminate duplicates Z: 85 71.351 2.345 0.953 0.597 0.917 0.738 CB 1.690 85 residues pruned to eliminate duplicates Z: 83 74.656 2.384 0.966 0.604 0.939 0.732 CB 1.697 83 residues pruned to eliminate duplicates Z: 85 71.723 2.368 0.911 0.608 0.929 0.702 CB 1.681 85 residues pruned to eliminate duplicates Z: 32 54.737 2.445 1.373 0.571 0.935 0.677 CB 1.692 32 residues pruned to eliminate duplicates Z: 84 74.730 2.385 0.976 0.592 0.940 0.711 CB 1.697 84 residues pruned to eliminate duplicates Z: 109 77.382 2.325 0.956 0.575 0.917 0.685 CB 1.661 109 residues pruned to eliminate duplicates Z: 85 65.196 2.320 0.806 0.581 0.952 0.750 CB 1.650 85 residues pruned to eliminate duplicates Z: 128 98.604 2.445 0.976 0.621 0.937 0.732 CB 1.725 128 residues pruned to eliminate duplicates Z: 40 56.595 2.482 1.235 0.514 0.949 0.692 CB 1.698 40 residues pruned to eliminate duplicates Z: 18 23.555 2.418 1.055 0.455 0.824 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 52 57.954 2.454 1.175 0.505 0.902 0.667 CB 1.677 52 residues pruned to eliminate duplicates Z: 41 59.632 2.492 1.235 0.537 0.950 0.675 CB 1.719 41 residues pruned to eliminate duplicates Z: 84 75.868 2.386 0.959 0.616 0.940 0.735 CB 1.698 84 residues pruned to eliminate duplicates Z: 83 76.250 2.391 0.990 0.620 0.939 0.732 CB 1.683 83 residues pruned to eliminate duplicates Z: 84 77.859 2.386 0.991 0.614 0.952 0.711 CB 1.697 84 residues pruned to eliminate duplicates Z: 87 72.576 2.331 0.953 0.604 0.942 0.767 CB 1.653 87 residues pruned to eliminate duplicates Z: 128 100.949 2.463 0.998 0.620 0.937 0.748 CB 1.735 128 residues pruned to eliminate duplicates Z: 54 58.422 2.348 0.848 0.637 0.943 0.792 CB 1.724 54 residues pruned to eliminate duplicates Z: 84 74.083 2.375 0.990 0.597 0.928 0.771 CB 1.691 84 residues pruned to eliminate duplicates Z: 85 77.529 2.386 1.005 0.610 0.940 0.738 CB 1.694 85 residues pruned to eliminate duplicates Z: 54 54.217 2.302 0.730 0.661 0.943 0.792 CB 1.708 54 residues pruned to eliminate duplicates Z: 75 67.335 2.327 0.904 0.624 0.946 0.743 CB 1.662 75 residues pruned to eliminate duplicates Z: 74 56.933 2.223 0.753 0.590 0.918 0.685 CB 1.709 74 residues pruned to eliminate duplicates Z: 49 45.629 2.202 0.635 0.678 0.958 0.771 CB 1.621 49 residues pruned to eliminate duplicates Z: 47 50.813 2.244 0.761 0.689 0.935 0.761 CB 1.706 47 residues pruned to eliminate duplicates Z: 131 98.746 2.418 1.035 0.615 0.931 0.762 CB 1.695 131 residues pruned to eliminate duplicates Z: 129 95.484 2.434 0.985 0.610 0.914 0.727 CB 1.721 129 residues pruned to eliminate duplicates Z: 47 46.346 2.270 0.667 0.655 0.913 0.761 CB 1.713 47 residues pruned to eliminate duplicates Z: 85 73.535 2.381 0.918 0.606 0.940 0.750 CB 1.688 85 residues pruned to eliminate duplicates Z: 47 50.673 2.265 0.739 0.689 0.935 0.804 CB 1.707 47 residues pruned to eliminate duplicates Z: 153 105.422 2.434 0.977 0.612 0.928 0.724 CB 1.723 153 residues pruned to eliminate duplicates Z: 33 39.351 2.250 0.466 0.706 0.969 0.750 CB 1.804 33 residues pruned to eliminate duplicates Z: 50 45.230 2.248 0.578 0.631 0.959 0.755 CB 1.679 50 residues pruned to eliminate duplicates Z: 58 51.442 2.278 0.787 0.608 0.930 0.737 CB 1.625 58 residues pruned to eliminate duplicates Z: 45 53.276 2.325 0.710 0.705 0.955 0.841 CB 1.756 45 residues pruned to eliminate duplicates Z: 84 66.091 2.327 0.880 0.601 0.916 0.771 CB 1.645 84 residues pruned to eliminate duplicates Z: 153 104.990 2.430 1.020 0.612 0.921 0.724 CB 1.694 153 residues pruned to eliminate duplicates Z: 46 53.649 2.294 0.790 0.677 0.956 0.800 CB 1.731 46 residues pruned to eliminate duplicates Z: 84 68.300 2.318 0.883 0.624 0.928 0.759 CB 1.646 84 residues pruned to eliminate duplicates Z: 83 69.051 2.372 0.885 0.595 0.915 0.780 CB 1.702 83 residues pruned to eliminate duplicates Z: 56 52.063 2.315 0.709 0.639 0.927 0.745 CB 1.680 56 residues pruned to eliminate duplicates Z: 47 48.239 2.272 0.680 0.699 0.913 0.804 CB 1.703 47 residues pruned to eliminate duplicates Z: 47 53.577 2.270 0.758 0.693 0.957 0.826 CB 1.735 47 residues pruned to eliminate duplicates Z: 49 49.097 2.203 0.732 0.686 0.958 0.812 CB 1.635 49 residues pruned to eliminate duplicates Z: 47 53.995 2.276 0.790 0.688 0.957 0.804 CB 1.720 47 residues pruned to eliminate duplicates Z: 47 51.834 2.293 0.810 0.689 0.913 0.783 CB 1.696 47 residues pruned to eliminate duplicates Z: 34 45.256 2.189 0.724 0.759 0.970 0.818 CB 1.710 34 residues pruned to eliminate duplicates Z: 48 50.614 2.272 0.774 0.670 0.936 0.809 CB 1.671 48 residues pruned to eliminate duplicates Z: 99 78.434 2.337 0.968 0.610 0.929 0.735 CB 1.673 99 residues pruned to eliminate duplicates Z: 47 52.067 2.259 0.735 0.692 0.957 0.761 CB 1.718 47 residues pruned to eliminate duplicates Z: 47 51.921 2.267 0.693 0.688 0.978 0.804 CB 1.716 47 residues pruned to eliminate duplicates Z: 86 67.136 2.320 0.861 0.592 0.941 0.729 CB 1.641 86 residues pruned to eliminate duplicates Z: 48 47.194 2.247 0.707 0.652 0.915 0.766 CB 1.702 48 residues pruned to eliminate duplicates Z: 89 60.908 2.285 0.815 0.574 0.909 0.727 CB 1.604 89 residues pruned to eliminate duplicates Z: 33 45.666 2.262 0.608 0.775 1.000 0.875 CB 1.741 33 residues pruned to eliminate duplicates Z: 47 57.445 2.279 0.859 0.711 0.957 0.783 CB 1.726 47 residues pruned to eliminate duplicates Z: 47 54.265 2.286 0.810 0.699 0.935 0.783 CB 1.726 47 residues pruned to eliminate duplicates Z: 104 82.083 2.381 0.978 0.590 0.932 0.728 CB 1.691 104 residues pruned to eliminate duplicates Z: 54 58.430 2.281 0.866 0.666 0.962 0.755 CB 1.680 54 residues pruned to eliminate duplicates Z: 47 50.828 2.274 0.707 0.687 0.957 0.804 CB 1.700 47 residues pruned to eliminate duplicates Z: 47 54.140 2.280 0.811 0.720 0.935 0.804 CB 1.695 47 residues pruned to eliminate duplicates 399 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 204 D: 44 E: 104 F: 16 G: 18 CC for partial structure against native data = 39.98 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.780 for dens.mod. cycle 1 = 0.300, Contrast = 0.615, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 0.735, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.750, Connect. = 0.830 for dens.mod. cycle 4 = 0.300, Contrast = 0.765, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 0.774, Connect. = 0.833 for dens.mod. cycle 6 = 0.300, Contrast = 0.782, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 0.787, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 0.791, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.794, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2410 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 536 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 34.302 2.111 0.574 0.920 1.000 0.905 CB 1.587 B: 21 57.536 2.537 1.165 0.934 1.000 0.750 CB 1.634 C: 22 50.341 2.343 1.102 0.949 0.952 0.810 CB 1.616 D: 22 46.059 2.463 0.808 0.937 0.952 0.857 CB 1.649 E: 21 47.807 2.392 0.718 0.956 1.000 1.000 CB 1.786 21 residues pruned to eliminate duplicates F: 22 50.959 2.372 0.990 0.930 1.000 0.905 CB 1.647 22 residues pruned to eliminate duplicates G: 20 48.804 2.538 0.824 0.955 1.000 0.947 CB 1.662 22 residues pruned to eliminate duplicates H: 22 39.956 2.432 0.740 0.890 0.952 0.952 CB 1.557 20 residues pruned to eliminate duplicates I: 89 68.519 2.341 0.994 0.573 0.932 0.705 CB 1.566 21 residues pruned to eliminate duplicates J: 22 47.589 2.359 0.925 0.927 1.000 0.857 CB 1.603 22 residues pruned to eliminate duplicates K: 21 45.470 2.501 0.703 0.947 1.000 0.950 CB 1.650 21 residues pruned to eliminate duplicates L: 86 81.411 2.457 1.100 0.589 0.918 0.694 CB 1.712 22 residues pruned to eliminate duplicates M: 54 55.640 2.317 0.775 0.647 0.943 0.755 CB 1.717 34 residues pruned to eliminate duplicates N: 21 50.055 2.392 0.815 0.941 1.000 0.900 CB 1.789 22 residues pruned to eliminate duplicates O: 16 23.509 2.167 1.096 0.572 0.733 0.533 CB 1.700 16 residues pruned to eliminate duplicates P: 21 52.978 2.532 0.891 0.954 1.000 0.900 CB 1.702 21 residues pruned to eliminate duplicates Q: 22 40.469 2.345 0.573 0.932 1.000 0.952 CB 1.671 22 residues pruned to eliminate duplicates R: 20 67.029 2.585 1.305 0.943 1.000 0.895 CB 1.788 20 residues pruned to eliminate duplicates S: 26 36.231 2.220 0.954 0.562 0.960 0.560 CB 1.638 T: 64 44.835 2.158 0.912 0.540 0.937 0.635 CB 1.407 U: 20 62.212 2.588 1.132 0.943 1.000 0.789 CB 1.792 29 residues pruned to eliminate duplicates V: 22 48.618 2.460 1.059 0.895 0.952 0.905 CB 1.576 22 residues pruned to eliminate duplicates W: 21 53.897 2.390 0.947 0.932 1.000 0.900 CB 1.808 21 residues pruned to eliminate duplicates X: 129 101.170 2.406 1.047 0.642 0.930 0.742 CB 1.711 128 residues pruned to eliminate duplicates Y: 21 59.363 2.536 1.184 0.942 1.000 0.850 CB 1.662 21 residues pruned to eliminate duplicates Z: 20 42.898 2.542 0.443 0.951 1.000 0.947 CB 1.848 20 residues pruned to eliminate duplicates Z: 103 80.947 2.422 0.935 0.591 0.912 0.765 CB 1.719 103 residues pruned to eliminate duplicates Z: 28 31.895 2.149 0.575 0.648 0.963 0.741 CB 1.640 Z: 22 39.782 2.420 0.576 0.946 1.000 0.952 CB 1.574 22 residues pruned to eliminate duplicates Z: 40 52.893 2.347 1.146 0.576 0.923 0.718 CB 1.693 40 residues pruned to eliminate duplicates Z: 22 45.300 2.354 0.793 0.931 1.000 0.905 CB 1.636 22 residues pruned to eliminate duplicates Z: 27 30.194 2.131 0.851 0.522 0.923 0.577 CB 1.591 27 residues pruned to eliminate duplicates Z: 110 80.584 2.336 1.053 0.562 0.927 0.651 CB 1.636 104 residues pruned to eliminate duplicates Z: 14 29.820 2.414 1.038 0.579 0.923 0.615 CB 1.688 14 residues pruned to eliminate duplicates Z: 48 46.212 2.242 0.639 0.680 0.915 0.766 CB 1.699 48 residues pruned to eliminate duplicates Z: 22 41.527 2.426 0.625 0.944 1.000 0.952 CB 1.592 22 residues pruned to eliminate duplicates Z: 103 84.874 2.420 0.982 0.603 0.922 0.716 CB 1.724 104 residues pruned to eliminate duplicates Z: 32 56.086 2.446 1.313 0.586 0.968 0.677 CB 1.694 32 residues pruned to eliminate duplicates Z: 61 38.124 2.157 0.736 0.521 0.900 0.600 CB 1.431 61 residues pruned to eliminate duplicates Z: 29 32.026 2.127 0.612 0.698 0.964 0.714 CB 1.527 28 residues pruned to eliminate duplicates Z: 33 42.710 2.323 1.104 0.531 0.875 0.688 CB 1.712 33 residues pruned to eliminate duplicates Z: 107 61.190 2.181 0.904 0.571 0.915 0.642 CB 1.461 90 residues pruned to eliminate duplicates Z: 50 34.341 2.102 0.773 0.526 0.918 0.633 CB 1.398 50 residues pruned to eliminate duplicates Z: 23 37.313 2.103 0.738 0.901 1.000 0.773 CB 1.554 23 residues pruned to eliminate duplicates Z: 104 80.148 2.414 0.903 0.591 0.913 0.680 CB 1.728 104 residues pruned to eliminate duplicates Z: 22 51.046 2.458 1.148 0.897 0.952 0.857 CB 1.586 22 residues pruned to eliminate duplicates Z: 26 22.182 2.063 0.815 0.586 0.880 0.640 CB 1.240 26 residues pruned to eliminate duplicates Z: 22 35.116 2.129 0.554 0.925 1.000 0.952 CB 1.626 22 residues pruned to eliminate duplicates Z: 21 46.537 2.530 0.705 0.933 1.000 0.900 CB 1.683 21 residues pruned to eliminate duplicates Z: 152 103.336 2.405 0.967 0.619 0.947 0.762 CB 1.676 128 residues pruned to eliminate duplicates Z: 22 47.195 2.362 0.847 0.942 1.000 0.857 CB 1.638 22 residues pruned to eliminate duplicates Z: 21 53.564 2.399 0.977 0.926 1.000 1.000 CB 1.772 21 residues pruned to eliminate duplicates Z: 51 36.221 2.125 0.817 0.539 0.920 0.640 CB 1.388 51 residues pruned to eliminate duplicates Z: 58 53.012 2.367 1.025 0.499 0.930 0.614 CB 1.577 60 residues pruned to eliminate duplicates Z: 32 37.490 2.204 0.991 0.598 0.935 0.710 CB 1.494 32 residues pruned to eliminate duplicates Z: 84 79.481 2.380 1.018 0.626 0.952 0.747 CB 1.696 84 residues pruned to eliminate duplicates Z: 54 40.408 2.141 0.890 0.525 0.962 0.698 CB 1.391 55 residues pruned to eliminate duplicates Z: 22 54.473 2.350 1.169 0.939 1.000 0.810 CB 1.620 22 residues pruned to eliminate duplicates Z: 85 47.552 2.147 0.832 0.502 0.917 0.631 CB 1.436 85 residues pruned to eliminate duplicates Z: 21 43.091 2.507 0.583 0.937 1.000 0.900 CB 1.690 21 residues pruned to eliminate duplicates Z: 21 45.541 2.491 0.779 0.951 0.950 0.950 CB 1.667 21 residues pruned to eliminate duplicates Z: 21 52.847 2.540 0.930 0.943 1.000 1.000 CB 1.670 21 residues pruned to eliminate duplicates Z: 129 95.557 2.407 0.923 0.628 0.938 0.719 CB 1.726 128 residues pruned to eliminate duplicates Z: 21 56.281 2.521 1.146 0.949 1.000 0.850 CB 1.606 21 residues pruned to eliminate duplicates Z: 22 53.721 2.453 1.134 0.941 0.952 0.714 CB 1.631 22 residues pruned to eliminate duplicates Z: 30 41.448 2.299 1.041 0.605 0.966 0.724 CB 1.538 30 residues pruned to eliminate duplicates Z: 21 52.799 2.410 1.130 0.949 1.000 0.850 CB 1.588 21 residues pruned to eliminate duplicates Z: 22 55.210 2.443 1.238 0.922 1.000 0.762 CB 1.550 22 residues pruned to eliminate duplicates Z: 22 49.237 2.425 0.981 0.927 1.000 0.857 CB 1.568 22 residues pruned to eliminate duplicates Z: 22 54.166 2.355 1.125 0.941 1.000 0.810 CB 1.640 22 residues pruned to eliminate duplicates Z: 22 55.709 2.350 1.148 0.919 1.000 0.667 CB 1.697 22 residues pruned to eliminate duplicates Z: 13 23.655 2.112 1.096 0.608 0.917 0.667 CA 1.519 Z: 78 69.636 2.424 1.005 0.587 0.922 0.701 CB 1.629 78 residues pruned to eliminate duplicates Z: 24 34.795 2.236 0.733 0.552 1.000 0.609 CB 1.780 24 residues pruned to eliminate duplicates Z: 121 80.959 2.326 0.993 0.570 0.925 0.683 CB 1.610 123 residues pruned to eliminate duplicates Z: 22 55.173 2.461 1.094 0.938 1.000 0.952 CB 1.625 22 residues pruned to eliminate duplicates Z: 31 55.473 2.486 1.308 0.611 0.900 0.733 CB 1.765 31 residues pruned to eliminate duplicates Z: 105 71.933 2.244 0.955 0.605 0.952 0.683 CB 1.528 101 residues pruned to eliminate duplicates Z: 110 75.721 2.316 0.902 0.580 0.945 0.688 CB 1.613 110 residues pruned to eliminate duplicates Z: 32 49.691 2.454 1.252 0.574 0.903 0.613 CB 1.664 32 residues pruned to eliminate duplicates Z: 15 19.123 2.178 0.972 0.552 0.929 0.714 CB 1.219 15 residues pruned to eliminate duplicates Z: 22 38.173 2.332 0.519 0.941 1.000 0.952 CB 1.632 22 residues pruned to eliminate duplicates Z: 26 35.216 2.214 0.605 0.720 0.960 0.720 CB 1.692 29 residues pruned to eliminate duplicates Z: 75 55.272 2.326 0.739 0.559 0.932 0.689 CB 1.609 75 residues pruned to eliminate duplicates Z: 40 50.475 2.355 1.193 0.569 0.872 0.718 CB 1.679 40 residues pruned to eliminate duplicates Z: 21 46.667 2.487 0.791 0.930 1.000 0.800 CB 1.639 21 residues pruned to eliminate duplicates Z: 152 104.219 2.402 0.953 0.631 0.934 0.742 CB 1.712 152 residues pruned to eliminate duplicates Z: 28 31.254 2.148 0.505 0.692 0.963 0.778 CB 1.621 28 residues pruned to eliminate duplicates Z: 102 80.871 2.427 0.909 0.578 0.921 0.713 CB 1.749 102 residues pruned to eliminate duplicates Z: 20 49.123 2.548 0.690 0.935 1.000 1.000 CB 1.824 20 residues pruned to eliminate duplicates Z: 11 42.404 2.501 0.890 0.907 1.000 0.800 CB 2.016 11 residues pruned to eliminate duplicates Z: 22 56.168 2.340 1.319 0.931 1.000 0.905 CB 1.579 22 residues pruned to eliminate duplicates Z: 26 31.984 2.218 0.743 0.543 0.960 0.680 CB 1.652 26 residues pruned to eliminate duplicates Z: 22 53.207 2.374 1.075 0.940 1.000 0.857 CB 1.637 22 residues pruned to eliminate duplicates Z: 27 27.513 2.130 0.656 0.489 0.923 0.500 CB 1.675 27 residues pruned to eliminate duplicates Z: 153 95.710 2.381 0.923 0.602 0.908 0.691 CB 1.695 153 residues pruned to eliminate duplicates Z: 156 93.389 2.337 0.946 0.597 0.923 0.677 CB 1.630 154 residues pruned to eliminate duplicates Z: 152 105.995 2.400 0.992 0.637 0.934 0.755 CB 1.699 155 residues pruned to eliminate duplicates Z: 21 61.426 2.552 1.214 0.942 1.000 0.950 CB 1.686 21 residues pruned to eliminate duplicates Z: 109 87.024 2.419 1.025 0.588 0.935 0.648 CB 1.680 109 residues pruned to eliminate duplicates Z: 59 47.561 2.298 1.022 0.470 0.879 0.586 CB 1.576 59 residues pruned to eliminate duplicates Z: 47 51.643 2.275 0.715 0.709 0.935 0.826 CB 1.727 46 residues pruned to eliminate duplicates Z: 61 50.910 2.336 0.952 0.484 0.917 0.633 CB 1.598 61 residues pruned to eliminate duplicates Z: 63 42.505 2.148 0.851 0.545 0.952 0.661 CB 1.365 63 residues pruned to eliminate duplicates Z: 111 73.214 2.325 0.888 0.544 0.936 0.645 CB 1.626 111 residues pruned to eliminate duplicates Z: 22 34.256 2.122 0.637 0.916 0.952 0.905 CB 1.595 22 residues pruned to eliminate duplicates Z: 85 77.448 2.378 1.016 0.618 0.929 0.774 CB 1.697 86 residues pruned to eliminate duplicates Z: 17 27.864 2.065 0.590 0.911 1.000 0.875 CB 1.504 16 residues pruned to eliminate duplicates Z: 75 62.495 2.269 0.923 0.612 0.946 0.649 CB 1.583 76 residues pruned to eliminate duplicates Z: 18 21.603 1.961 0.314 0.861 1.000 0.765 CB 1.494 18 residues pruned to eliminate duplicates Z: 62 46.945 2.185 0.950 0.584 0.918 0.689 CB 1.417 62 residues pruned to eliminate duplicates Z: 60 51.049 2.326 0.931 0.489 0.932 0.644 CB 1.605 60 residues pruned to eliminate duplicates Z: 86 78.010 2.364 1.022 0.630 0.941 0.753 CB 1.665 86 residues pruned to eliminate duplicates Z: 57 50.898 2.254 0.832 0.617 0.946 0.679 CB 1.559 57 residues pruned to eliminate duplicates Z: 17 26.918 2.054 0.510 0.890 1.000 0.875 CB 1.562 17 residues pruned to eliminate duplicates Z: 85 76.016 2.390 0.966 0.608 0.929 0.714 CB 1.717 85 residues pruned to eliminate duplicates Z: 84 78.033 2.393 0.987 0.620 0.952 0.771 CB 1.690 84 residues pruned to eliminate duplicates Z: 28 15.745 1.918 0.762 0.466 0.778 0.556 CB 1.194 28 residues pruned to eliminate duplicates Z: 153 96.494 2.386 0.847 0.614 0.941 0.717 CB 1.695 153 residues pruned to eliminate duplicates Z: 56 58.894 2.322 0.973 0.622 0.945 0.745 CB 1.633 56 residues pruned to eliminate duplicates Z: 64 43.739 2.143 0.894 0.516 0.937 0.651 CB 1.427 63 residues pruned to eliminate duplicates Z: 32 34.994 2.235 0.945 0.550 0.935 0.742 CB 1.472 32 residues pruned to eliminate duplicates Z: 19 31.091 2.172 0.994 0.536 1.000 0.667 CA 1.634 19 residues pruned to eliminate duplicates Z: 68 59.643 2.346 1.003 0.507 0.925 0.701 CB 1.664 69 residues pruned to eliminate duplicates Z: 63 43.457 2.176 0.883 0.549 0.919 0.677 CB 1.397 63 residues pruned to eliminate duplicates Z: 84 77.542 2.394 0.981 0.628 0.940 0.759 CB 1.693 84 residues pruned to eliminate duplicates Z: 35 33.561 2.286 0.885 0.446 0.912 0.618 CB 1.549 35 residues pruned to eliminate duplicates Z: 20 25.235 2.204 0.737 0.537 0.895 0.579 CB 1.630 20 residues pruned to eliminate duplicates Z: 9 18.025 2.149 1.060 0.452 1.000 0.750 CB 1.513 9 residues pruned to eliminate duplicates Z: 14 18.619 2.019 0.982 0.629 0.846 0.615 CA 1.351 14 residues pruned to eliminate duplicates Z: 22 50.145 2.338 1.145 0.916 0.952 0.762 CB 1.617 22 residues pruned to eliminate duplicates Z: 112 78.024 2.335 0.936 0.574 0.937 0.676 CB 1.627 112 residues pruned to eliminate duplicates Z: 22 34.402 2.178 0.435 0.919 1.000 0.952 CA 1.692 22 residues pruned to eliminate duplicates Z: 24 36.678 2.259 0.915 0.550 0.957 0.696 CB 1.760 24 residues pruned to eliminate duplicates Z: 25 35.078 2.229 0.767 0.586 0.958 0.625 CB 1.746 25 residues pruned to eliminate duplicates Z: 22 48.163 2.362 0.937 0.945 1.000 0.905 CB 1.589 22 residues pruned to eliminate duplicates Z: 18 26.965 1.980 0.577 0.883 1.000 0.765 CB 1.515 17 residues pruned to eliminate duplicates Z: 16 28.113 2.015 0.722 0.879 1.000 0.733 CB 1.517 16 residues pruned to eliminate duplicates Z: 21 60.885 2.542 1.203 0.940 1.000 0.900 CB 1.688 21 residues pruned to eliminate duplicates Z: 21 58.801 2.531 1.124 0.957 1.000 0.950 CB 1.679 21 residues pruned to eliminate duplicates Z: 23 37.448 2.119 0.666 0.922 1.000 0.955 CB 1.590 23 residues pruned to eliminate duplicates Z: 27 26.155 2.128 0.678 0.504 0.885 0.654 CB 1.617 27 residues pruned to eliminate duplicates Z: 103 80.470 2.429 0.924 0.584 0.912 0.667 CB 1.725 103 residues pruned to eliminate duplicates Z: 51 47.042 2.218 1.059 0.570 0.940 0.700 CB 1.449 51 residues pruned to eliminate duplicates Z: 17 27.203 2.057 0.547 0.876 1.000 0.750 CB 1.554 17 residues pruned to eliminate duplicates Z: 53 55.085 2.259 0.726 0.685 0.942 0.769 CB 1.755 53 residues pruned to eliminate duplicates Z: 55 53.516 2.314 0.771 0.653 0.981 0.815 CB 1.571 55 residues pruned to eliminate duplicates Z: 7 12.126 2.068 0.374 0.846 0.833 0.833 CB 1.553 7 residues pruned to eliminate duplicates Z: 12 22.323 2.091 1.015 0.647 1.000 0.727 CA 1.393 11 residues pruned to eliminate duplicates Z: 18 17.707 1.923 0.511 0.571 1.000 0.765 CB 1.380 Z: 127 103.227 2.439 0.975 0.638 0.968 0.746 CB 1.733 127 residues pruned to eliminate duplicates Z: 22 60.603 2.433 1.312 0.915 1.000 0.714 CB 1.661 22 residues pruned to eliminate duplicates Z: 86 77.293 2.360 0.972 0.622 0.941 0.694 CB 1.705 86 residues pruned to eliminate duplicates Z: 57 54.075 2.315 0.931 0.633 0.911 0.750 CB 1.567 57 residues pruned to eliminate duplicates Z: 21 30.851 2.188 0.286 0.918 1.000 1.000 CB 1.729 21 residues pruned to eliminate duplicates Z: 110 81.537 2.397 1.013 0.582 0.927 0.688 CB 1.615 110 residues pruned to eliminate duplicates Z: 21 29.976 2.182 0.330 0.920 1.000 0.900 CB 1.627 21 residues pruned to eliminate duplicates Z: 21 29.186 2.194 1.094 0.512 0.850 0.650 CB 1.650 21 residues pruned to eliminate duplicates Z: 62 41.766 2.125 0.847 0.535 0.934 0.623 CB 1.408 62 residues pruned to eliminate duplicates Z: 72 57.295 2.311 0.897 0.572 0.915 0.648 CB 1.581 72 residues pruned to eliminate duplicates Z: 24 29.140 2.255 0.524 0.547 1.000 0.783 CB 1.690 24 residues pruned to eliminate duplicates Z: 53 48.126 2.420 0.961 0.469 0.885 0.596 CB 1.640 53 residues pruned to eliminate duplicates Z: 153 101.937 2.379 0.945 0.629 0.934 0.711 CB 1.694 153 residues pruned to eliminate duplicates Z: 22 31.305 2.145 0.400 0.915 1.000 0.857 CB 1.608 22 residues pruned to eliminate duplicates Z: 22 58.766 2.361 1.220 0.958 1.000 0.810 CB 1.678 22 residues pruned to eliminate duplicates Z: 127 96.107 2.441 0.949 0.628 0.937 0.754 CB 1.703 127 residues pruned to eliminate duplicates Z: 15 26.567 2.126 0.559 0.907 0.929 0.786 CB 1.640 15 residues pruned to eliminate duplicates Z: 82 85.681 2.486 1.094 0.617 0.963 0.679 CB 1.701 82 residues pruned to eliminate duplicates Z: 46 54.959 2.282 0.747 0.725 0.978 0.800 CB 1.715 46 residues pruned to eliminate duplicates Z: 19 18.332 1.871 0.569 0.567 1.000 0.722 CB 1.380 18 residues pruned to eliminate duplicates Z: 23 24.975 2.168 0.459 0.560 1.000 0.636 CB 1.588 23 residues pruned to eliminate duplicates Z: 13 11.525 1.878 0.416 0.609 0.917 0.667 CB 1.232 13 residues pruned to eliminate duplicates Z: 40 40.316 2.156 1.047 0.568 0.923 0.744 CB 1.484 40 residues pruned to eliminate duplicates Z: 8 10.684 1.919 0.625 0.770 0.857 0.571 CA 1.190 8 residues pruned to eliminate duplicates Z: 86 71.490 2.386 0.859 0.605 0.929 0.765 CB 1.702 86 residues pruned to eliminate duplicates Z: 57 54.107 2.364 1.047 0.518 0.911 0.661 CB 1.611 57 residues pruned to eliminate duplicates Z: 41 48.661 2.333 0.669 0.664 1.000 0.725 CB 1.697 41 residues pruned to eliminate duplicates Z: 69 54.350 2.319 0.942 0.480 0.912 0.574 CB 1.637 69 residues pruned to eliminate duplicates Z: 12 13.154 1.669 0.518 0.858 1.000 0.364 CB 1.153 Z: 16 26.934 2.113 0.516 0.892 1.000 0.867 CB 1.559 16 residues pruned to eliminate duplicates Z: 17 19.005 2.038 0.243 0.876 1.000 0.812 CB 1.363 17 residues pruned to eliminate duplicates Z: 23 38.688 2.117 0.769 0.912 1.000 0.909 CB 1.561 23 residues pruned to eliminate duplicates Z: 29 31.422 2.117 0.517 0.710 0.964 0.821 CB 1.585 29 residues pruned to eliminate duplicates Z: 150 97.742 2.383 0.926 0.613 0.946 0.758 CB 1.656 150 residues pruned to eliminate duplicates Z: 30 30.384 2.044 0.578 0.702 0.931 0.724 CB 1.564 30 residues pruned to eliminate duplicates Z: 60 53.094 2.348 0.895 0.503 0.915 0.678 CB 1.693 60 residues pruned to eliminate duplicates Z: 56 52.886 2.349 0.985 0.513 0.891 0.600 CB 1.694 56 residues pruned to eliminate duplicates Z: 26 29.469 2.179 0.904 0.581 0.880 0.720 CB 1.493 26 residues pruned to eliminate duplicates Z: 72 68.209 2.337 0.917 0.612 0.972 0.746 CB 1.671 72 residues pruned to eliminate duplicates Z: 22 50.587 2.398 1.136 0.911 1.000 0.762 CB 1.528 22 residues pruned to eliminate duplicates Z: 21 19.959 2.152 0.726 0.363 0.950 0.400 CB 1.466 21 residues pruned to eliminate duplicates Z: 7 5.310 1.965 -0.101 0.749 0.667 0.333 CB 1.473 7 residues pruned to eliminate duplicates Z: 84 74.626 2.393 0.927 0.611 0.928 0.687 CB 1.723 84 residues pruned to eliminate duplicates Z: 120 81.712 2.335 1.018 0.558 0.924 0.639 CB 1.625 120 residues pruned to eliminate duplicates Z: 6 4.751 1.728 -0.174 0.773 1.000 0.600 CA 1.169 6 residues pruned to eliminate duplicates Z: 111 78.551 2.341 0.997 0.556 0.945 0.691 CB 1.604 111 residues pruned to eliminate duplicates Z: 13 40.188 2.075 1.406 0.876 1.000 1.000 CB 1.689 13 residues pruned to eliminate duplicates Z: 16 15.896 1.635 0.540 0.880 1.000 0.333 CB 1.182 12 residues pruned to eliminate duplicates Z: 19 17.987 1.866 0.630 0.573 0.944 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 12 40.948 2.234 1.214 0.880 1.000 0.727 CB 1.809 12 residues pruned to eliminate duplicates Z: 14 27.238 2.218 0.482 0.908 1.000 0.923 CB 1.632 14 residues pruned to eliminate duplicates Z: 84 74.609 2.395 1.062 0.578 0.952 0.699 CB 1.617 84 residues pruned to eliminate duplicates Z: 11 13.478 1.779 0.832 0.587 0.900 0.600 CB 1.337 12 residues pruned to eliminate duplicates Z: 7 8.377 1.856 0.345 0.804 0.833 0.833 CA 1.261 7 residues pruned to eliminate duplicates Z: 32 57.141 2.484 1.027 0.744 0.968 0.839 CB 1.693 32 residues pruned to eliminate duplicates Z: 144 97.902 2.407 0.893 0.624 0.944 0.720 CB 1.693 144 residues pruned to eliminate duplicates Z: 16 17.788 2.096 0.865 0.508 0.933 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 100 72.575 2.391 0.931 0.584 0.889 0.636 CB 1.639 100 residues pruned to eliminate duplicates Z: 6 5.321 1.732 -0.106 0.772 1.000 1.000 CA 1.208 6 residues pruned to eliminate duplicates Z: 121 77.753 2.320 0.961 0.551 0.925 0.642 CB 1.605 121 residues pruned to eliminate duplicates Z: 11 13.023 2.050 0.411 0.540 1.000 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 17 15.298 1.638 0.417 0.876 1.000 0.625 CB 1.198 17 residues pruned to eliminate duplicates Z: 8 10.377 1.656 0.969 0.829 0.714 0.714 CA 1.266 8 residues pruned to eliminate duplicates Z: 31 34.894 2.264 0.995 0.539 0.900 0.767 CB 1.508 31 residues pruned to eliminate duplicates Z: 7 9.690 1.704 0.891 0.766 1.000 1.000 CB 0.970 7 residues pruned to eliminate duplicates Z: 18 16.415 2.062 0.739 0.381 0.824 0.412 CA 1.530 18 residues pruned to eliminate duplicates Z: 41 37.184 2.250 0.929 0.494 0.900 0.750 CB 1.514 41 residues pruned to eliminate duplicates Z: 16 15.065 1.646 0.448 0.895 1.000 0.867 CB 1.170 16 residues pruned to eliminate duplicates Z: 112 80.794 2.395 0.970 0.567 0.919 0.667 CB 1.659 112 residues pruned to eliminate duplicates Z: 7 7.418 1.649 0.692 0.778 0.833 0.833 CB 1.019 7 residues pruned to eliminate duplicates Z: 113 75.145 2.319 0.894 0.565 0.946 0.679 CB 1.605 113 residues pruned to eliminate duplicates Z: 29 38.894 2.367 1.032 0.537 0.893 0.786 CB 1.651 29 residues pruned to eliminate duplicates Z: 11 27.824 2.374 1.030 0.748 1.000 0.800 CB 1.463 11 residues pruned to eliminate duplicates Z: 50 35.937 2.121 0.789 0.514 0.939 0.673 CB 1.421 50 residues pruned to eliminate duplicates Z: 55 47.833 2.301 0.926 0.512 0.907 0.685 CB 1.599 55 residues pruned to eliminate duplicates Z: 16 16.546 1.666 0.479 0.905 1.000 0.400 CB 1.234 16 residues pruned to eliminate duplicates Z: 93 57.892 2.189 0.821 0.592 0.924 0.620 CB 1.500 93 residues pruned to eliminate duplicates Z: 113 79.696 2.329 1.032 0.573 0.929 0.688 CB 1.596 113 residues pruned to eliminate duplicates Z: 22 37.721 2.162 0.617 0.920 1.000 0.905 CB 1.658 22 residues pruned to eliminate duplicates Z: 37 32.646 2.177 0.946 0.488 0.833 0.639 CB 1.560 37 residues pruned to eliminate duplicates Z: 28 36.521 2.154 0.588 0.770 1.000 0.926 CB 1.619 27 residues pruned to eliminate duplicates Z: 15 36.794 2.330 0.815 0.885 1.000 1.000 CB 1.680 15 residues pruned to eliminate duplicates Z: 63 42.212 2.165 0.842 0.531 0.935 0.694 CB 1.394 63 residues pruned to eliminate duplicates Z: 51 34.871 2.107 0.778 0.534 0.900 0.640 CB 1.415 51 residues pruned to eliminate duplicates Z: 7 13.242 1.869 0.622 0.636 1.000 0.667 CB 1.570 7 residues pruned to eliminate duplicates Z: 43 54.242 2.279 0.921 0.667 0.976 0.643 CB 1.678 43 residues pruned to eliminate duplicates Z: 49 42.230 2.171 0.874 0.583 0.938 0.771 CB 1.475 49 residues pruned to eliminate duplicates Z: 14 17.668 2.041 0.868 0.599 0.846 0.769 CB 1.383 14 residues pruned to eliminate duplicates Z: 23 23.398 2.122 0.846 0.472 0.818 0.455 CB 1.601 23 residues pruned to eliminate duplicates Z: 18 24.106 2.147 0.954 0.528 0.882 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 39 32.906 2.174 0.838 0.475 0.947 0.579 CB 1.446 39 residues pruned to eliminate duplicates Z: 64 42.254 2.140 0.869 0.533 0.921 0.651 CB 1.400 64 residues pruned to eliminate duplicates Z: 102 77.289 2.344 0.985 0.581 0.950 0.693 CB 1.608 102 residues pruned to eliminate duplicates Z: 16 26.005 2.066 0.598 0.886 1.000 0.867 CB 1.467 16 residues pruned to eliminate duplicates Z: 27 33.041 2.196 0.567 0.731 0.923 0.808 CB 1.657 27 residues pruned to eliminate duplicates Z: 14 19.678 2.169 0.788 0.655 0.846 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 63 39.245 2.163 0.827 0.500 0.903 0.613 CB 1.397 63 residues pruned to eliminate duplicates Z: 6 7.388 1.636 0.247 0.839 1.000 1.000 C 1.209 6 residues pruned to eliminate duplicates Z: 81 48.259 2.158 0.782 0.507 0.938 0.663 CB 1.486 81 residues pruned to eliminate duplicates Z: 26 35.784 2.214 0.580 0.738 0.960 0.680 CB 1.722 26 residues pruned to eliminate duplicates Z: 24 23.470 2.109 0.779 0.467 0.913 0.652 CB 1.476 24 residues pruned to eliminate duplicates Z: 10 7.788 2.010 0.719 0.294 0.778 0.333 CB 1.215 10 residues pruned to eliminate duplicates Z: 22 32.900 2.101 0.571 0.899 1.000 0.857 CB 1.555 22 residues pruned to eliminate duplicates Z: 7 7.637 1.717 0.282 0.612 1.000 0.500 CA 1.275 7 residues pruned to eliminate duplicates Z: 148 83.079 2.284 0.898 0.573 0.925 0.646 CB 1.592 151 residues pruned to eliminate duplicates Z: 27 49.459 2.334 0.898 0.820 1.000 0.808 CB 1.659 27 residues pruned to eliminate duplicates Z: 61 54.539 2.272 0.941 0.605 0.917 0.633 CB 1.576 61 residues pruned to eliminate duplicates Z: 11 29.226 2.334 1.129 0.657 0.900 0.900 CB 1.787 11 residues pruned to eliminate duplicates Z: 46 45.920 2.353 1.019 0.504 0.911 0.644 CB 1.575 46 residues pruned to eliminate duplicates Z: 87 66.225 2.326 0.965 0.558 0.919 0.628 CB 1.608 87 residues pruned to eliminate duplicates Z: 104 81.628 2.396 0.875 0.602 0.951 0.738 CB 1.707 104 residues pruned to eliminate duplicates Z: 19 26.208 2.219 0.835 0.486 0.944 0.667 CB 1.629 19 residues pruned to eliminate duplicates Z: 52 51.005 2.397 0.993 0.512 0.941 0.608 CB 1.569 52 residues pruned to eliminate duplicates Z: 21 41.177 2.235 0.675 0.926 1.000 0.950 CB 1.725 21 residues pruned to eliminate duplicates Z: 102 68.537 2.294 0.996 0.563 0.891 0.683 CB 1.572 102 residues pruned to eliminate duplicates Z: 69 70.686 2.369 0.869 0.680 0.941 0.809 CB 1.742 69 residues pruned to eliminate duplicates Z: 16 15.488 1.680 0.368 0.890 1.000 0.867 CB 1.252 16 residues pruned to eliminate duplicates Z: 8 12.209 1.691 1.381 0.829 0.857 0.571 CA 1.006 8 residues pruned to eliminate duplicates Z: 43 33.579 2.036 0.850 0.548 0.952 0.690 CB 1.378 43 residues pruned to eliminate duplicates Z: 13 7.626 1.722 0.298 0.456 0.750 0.500 CB 1.374 13 residues pruned to eliminate duplicates Z: 7 5.627 1.963 0.499 0.523 0.833 0.667 CB 0.915 Z: 83 66.829 2.385 0.940 0.594 0.902 0.695 CB 1.616 83 residues pruned to eliminate duplicates Z: 74 66.301 2.276 1.010 0.629 0.932 0.630 CB 1.612 73 residues pruned to eliminate duplicates Z: 104 71.044 2.317 1.023 0.551 0.913 0.699 CB 1.557 104 residues pruned to eliminate duplicates Z: 70 59.455 2.367 0.797 0.598 0.913 0.580 CB 1.679 70 residues pruned to eliminate duplicates Z: 6 3.961 1.707 -0.159 0.447 1.000 0.600 C 1.304 Z: 27 42.310 2.232 1.176 0.596 0.962 0.731 CB 1.621 27 residues pruned to eliminate duplicates Z: 11 7.743 1.721 0.756 0.519 1.000 0.800 CB 0.796 11 residues pruned to eliminate duplicates Z: 13 24.911 1.928 0.820 0.922 1.000 0.750 CB 1.441 13 residues pruned to eliminate duplicates Z: 53 38.024 2.077 0.813 0.545 0.942 0.615 CB 1.421 53 residues pruned to eliminate duplicates Z: 56 61.001 2.413 1.138 0.542 0.909 0.673 CB 1.684 56 residues pruned to eliminate duplicates Z: 12 30.537 2.117 0.916 0.928 1.000 0.636 CB 1.590 18 residues pruned to eliminate duplicates Z: 74 69.284 2.414 0.908 0.617 0.959 0.699 CB 1.643 74 residues pruned to eliminate duplicates Z: 22 39.823 2.186 0.701 0.925 1.000 1.000 CB 1.640 22 residues pruned to eliminate duplicates Z: 17 15.118 1.608 0.432 0.895 1.000 0.688 CB 1.177 17 residues pruned to eliminate duplicates Z: 76 63.369 2.309 1.000 0.584 0.907 0.707 CB 1.612 77 residues pruned to eliminate duplicates Z: 85 70.957 2.332 0.861 0.607 0.940 0.643 CB 1.714 85 residues pruned to eliminate duplicates Z: 152 99.701 2.403 0.918 0.620 0.934 0.722 CB 1.684 152 residues pruned to eliminate duplicates Z: 18 22.369 2.030 0.265 0.844 1.000 0.941 CB 1.573 18 residues pruned to eliminate duplicates Z: 64 69.837 2.417 1.141 0.565 0.937 0.667 CB 1.706 64 residues pruned to eliminate duplicates Z: 11 11.812 1.874 0.486 0.620 0.900 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 18 19.577 1.924 0.617 0.582 1.000 0.706 CB 1.410 18 residues pruned to eliminate duplicates Z: 49 39.742 2.137 0.862 0.559 0.958 0.688 CB 1.420 49 residues pruned to eliminate duplicates Z: 9 6.694 1.712 0.415 0.570 0.875 0.625 N 1.044 8 residues pruned to eliminate duplicates Z: 74 68.369 2.352 0.895 0.645 0.932 0.726 CB 1.683 73 residues pruned to eliminate duplicates Z: 48 59.883 2.391 0.978 0.624 0.979 0.660 CB 1.679 48 residues pruned to eliminate duplicates Z: 120 79.296 2.327 0.944 0.564 0.933 0.655 CB 1.619 120 residues pruned to eliminate duplicates Z: 16 15.623 1.942 0.345 0.542 1.000 0.533 CB 1.482 16 residues pruned to eliminate duplicates Z: 19 26.956 1.940 0.546 0.840 1.000 0.722 CB 1.581 13 residues pruned to eliminate duplicates Z: 7 5.469 1.726 0.518 0.492 0.667 0.500 CB 1.288 Z: 8 10.557 1.914 0.446 0.529 1.000 0.857 CB 1.402 8 residues pruned to eliminate duplicates Z: 14 16.001 2.130 0.547 0.562 0.923 0.846 CB 1.374 14 residues pruned to eliminate duplicates Z: 121 74.683 2.306 0.880 0.540 0.933 0.625 CB 1.619 121 residues pruned to eliminate duplicates Z: 11 16.822 2.161 0.424 0.659 0.900 0.700 CB 1.658 11 residues pruned to eliminate duplicates Z: 16 14.319 1.671 0.323 0.899 1.000 0.933 CB 1.196 16 residues pruned to eliminate duplicates Z: 53 56.534 2.433 1.121 0.474 0.923 0.635 CB 1.690 53 residues pruned to eliminate duplicates Z: 8 14.519 1.788 0.829 0.805 1.000 0.571 CA 1.286 8 residues pruned to eliminate duplicates Z: 32 43.279 2.339 1.001 0.549 0.903 0.710 CB 1.753 32 residues pruned to eliminate duplicates Z: 103 85.424 2.426 0.993 0.599 0.922 0.735 CB 1.727 103 residues pruned to eliminate duplicates Z: 6 5.004 1.929 -0.054 0.728 0.800 0.800 CB 1.249 6 residues pruned to eliminate duplicates Z: 14 19.512 2.188 0.895 0.469 0.846 0.538 CB 1.592 14 residues pruned to eliminate duplicates Z: 17 24.821 2.002 0.482 0.906 1.000 0.938 CB 1.487 17 residues pruned to eliminate duplicates Z: 21 58.809 2.387 1.261 0.955 1.000 0.750 CB 1.675 21 residues pruned to eliminate duplicates Z: 35 50.626 2.344 1.063 0.692 0.912 0.794 CB 1.651 35 residues pruned to eliminate duplicates Z: 107 83.183 2.357 0.927 0.607 0.934 0.670 CB 1.721 107 residues pruned to eliminate duplicates Z: 8 8.684 1.862 0.337 0.719 1.000 0.714 CB 1.082 Z: 23 39.406 2.175 0.600 0.889 1.000 0.955 CA 1.738 23 residues pruned to eliminate duplicates Z: 149 91.596 2.385 0.841 0.605 0.919 0.689 CB 1.689 149 residues pruned to eliminate duplicates Z: 23 34.181 2.301 0.824 0.579 0.909 0.636 CB 1.771 23 residues pruned to eliminate duplicates Z: 6 8.567 1.813 0.517 0.778 1.000 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 7 5.550 1.799 0.467 0.465 1.000 0.667 N 0.889 Z: 8 6.099 1.693 0.207 0.637 1.000 0.714 CB 0.992 Z: 10 4.630 1.568 0.106 0.500 0.889 0.778 CB 1.001 9 residues pruned to eliminate duplicates Z: 19 16.925 1.852 0.586 0.558 0.944 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 12 13.412 1.968 0.869 0.489 0.818 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 11 8.733 1.865 0.721 0.343 0.800 0.400 CB 1.276 11 residues pruned to eliminate duplicates Z: 27 32.052 2.182 0.521 0.721 0.962 0.731 CB 1.614 28 residues pruned to eliminate duplicates Z: 18 18.762 1.924 0.583 0.585 1.000 0.647 CB 1.376 18 residues pruned to eliminate duplicates Z: 36 34.776 2.187 0.925 0.559 0.943 0.657 CB 1.399 36 residues pruned to eliminate duplicates Z: 17 36.346 2.284 1.065 0.596 1.000 0.812 CB 1.758 17 residues pruned to eliminate duplicates Z: 25 36.940 2.239 0.973 0.555 0.958 0.625 CB 1.689 24 residues pruned to eliminate duplicates Z: 34 37.598 2.186 0.993 0.577 0.939 0.667 CB 1.485 34 residues pruned to eliminate duplicates Z: 44 53.216 2.296 0.757 0.714 0.930 0.814 CB 1.782 44 residues pruned to eliminate duplicates Z: 7 4.974 1.707 0.137 0.689 0.833 0.667 CA 1.056 7 residues pruned to eliminate duplicates Z: 19 16.770 1.871 0.631 0.582 0.889 0.667 CB 1.346 19 residues pruned to eliminate duplicates Z: 52 65.296 2.445 0.992 0.646 0.961 0.686 CB 1.706 52 residues pruned to eliminate duplicates Z: 22 35.941 2.170 0.552 0.911 1.000 1.000 CB 1.649 23 residues pruned to eliminate duplicates Z: 83 66.040 2.358 0.882 0.603 0.915 0.622 CB 1.628 83 residues pruned to eliminate duplicates Z: 52 48.992 2.144 0.647 0.704 0.980 0.784 CB 1.646 52 residues pruned to eliminate duplicates Z: 8 6.949 1.798 0.224 0.474 0.857 0.714 CB 1.430 Z: 121 85.419 2.321 1.037 0.578 0.942 0.667 CB 1.624 121 residues pruned to eliminate duplicates Z: 38 38.429 2.283 0.824 0.594 0.946 0.730 CB 1.466 38 residues pruned to eliminate duplicates Z: 118 88.136 2.378 0.883 0.596 0.932 0.675 CB 1.782 118 residues pruned to eliminate duplicates Z: 15 15.291 1.709 0.430 0.890 1.000 0.714 CB 1.203 15 residues pruned to eliminate duplicates Z: 72 50.836 2.256 0.941 0.472 0.915 0.606 CB 1.547 72 residues pruned to eliminate duplicates Z: 28 30.260 2.145 0.441 0.745 0.963 0.815 CB 1.572 28 residues pruned to eliminate duplicates Z: 23 34.552 2.316 0.847 0.536 0.955 0.727 CB 1.741 23 residues pruned to eliminate duplicates Z: 53 50.435 2.326 1.016 0.517 0.942 0.673 CB 1.557 53 residues pruned to eliminate duplicates Z: 30 25.196 2.052 0.655 0.476 0.966 0.586 CB 1.462 30 residues pruned to eliminate duplicates Z: 18 25.715 2.191 1.038 0.458 0.882 0.706 CB 1.653 18 residues pruned to eliminate duplicates Z: 6 7.949 1.714 0.444 0.728 1.000 0.400 CA 1.170 6 residues pruned to eliminate duplicates Z: 28 34.245 2.144 0.526 0.785 1.000 0.778 CB 1.568 28 residues pruned to eliminate duplicates Z: 103 82.307 2.422 0.937 0.586 0.931 0.725 CB 1.718 103 residues pruned to eliminate duplicates Z: 13 21.130 2.114 1.003 0.649 0.917 0.833 CB 1.367 13 residues pruned to eliminate duplicates Z: 74 60.144 2.315 0.959 0.554 0.918 0.685 CB 1.605 74 residues pruned to eliminate duplicates Z: 7 14.028 2.170 0.508 0.761 1.000 0.500 CA 1.388 7 residues pruned to eliminate duplicates Z: 8 8.215 1.602 0.430 0.553 1.000 0.571 CA 1.288 8 residues pruned to eliminate duplicates Z: 28 31.905 2.174 0.514 0.691 0.963 0.852 CB 1.627 28 residues pruned to eliminate duplicates Z: 130 101.457 2.402 0.982 0.650 0.961 0.791 CB 1.697 130 residues pruned to eliminate duplicates Z: 13 6.427 1.835 0.263 0.280 0.750 0.583 CB 1.369 13 residues pruned to eliminate duplicates Z: 107 59.176 2.168 0.840 0.567 0.915 0.642 CB 1.475 107 residues pruned to eliminate duplicates Z: 64 47.732 2.247 0.910 0.462 0.921 0.571 CB 1.582 64 residues pruned to eliminate duplicates Z: 7 9.577 1.675 0.810 0.656 0.833 0.833 CB 1.339 7 residues pruned to eliminate duplicates Z: 12 12.395 1.963 0.409 0.602 1.000 0.636 CB 1.226 12 residues pruned to eliminate duplicates Z: 14 16.816 2.078 0.429 0.606 0.923 0.692 CB 1.538 14 residues pruned to eliminate duplicates Z: 38 37.209 2.181 0.856 0.567 0.919 0.541 CB 1.542 38 residues pruned to eliminate duplicates Z: 6 8.071 2.047 0.138 0.839 1.000 1.000 CB 1.157 Z: 44 46.224 2.165 0.868 0.665 0.953 0.581 CB 1.569 44 residues pruned to eliminate duplicates Z: 152 94.067 2.384 0.820 0.608 0.940 0.702 CB 1.694 152 residues pruned to eliminate duplicates Z: 10 6.493 1.634 0.443 0.368 0.778 0.667 N 1.359 9 residues pruned to eliminate duplicates Z: 25 12.171 1.931 0.725 0.310 0.792 0.500 CB 1.164 25 residues pruned to eliminate duplicates Z: 45 45.454 2.291 0.997 0.608 0.909 0.750 CB 1.487 45 residues pruned to eliminate duplicates Z: 100 80.001 2.402 0.963 0.595 0.939 0.707 CB 1.658 100 residues pruned to eliminate duplicates Z: 6 8.176 1.625 0.495 0.727 1.000 0.600 CA 1.227 6 residues pruned to eliminate duplicates Z: 7 2.932 1.481 0.507 0.249 0.667 0.500 CB 1.073 Z: 16 12.317 1.642 0.356 0.873 1.000 0.933 CB 1.040 16 residues pruned to eliminate duplicates Z: 10 9.439 2.136 0.588 0.342 0.778 0.556 CB 1.415 10 residues pruned to eliminate duplicates Z: 7 2.842 1.613 0.550 0.282 0.667 0.667 CB 0.890 7 residues pruned to eliminate duplicates Z: 20 61.175 2.575 1.116 0.942 1.000 0.895 CB 1.786 20 residues pruned to eliminate duplicates Z: 107 81.645 2.302 0.946 0.645 0.915 0.783 CB 1.690 107 residues pruned to eliminate duplicates Z: 7 5.187 1.908 -0.056 0.408 0.833 0.500 C 1.554 7 residues pruned to eliminate duplicates Z: 49 57.382 2.338 0.957 0.582 0.958 0.646 CB 1.746 49 residues pruned to eliminate duplicates Z: 63 39.098 2.099 0.881 0.521 0.903 0.726 CB 1.365 63 residues pruned to eliminate duplicates Z: 63 40.052 2.174 0.782 0.520 0.919 0.710 CB 1.400 63 residues pruned to eliminate duplicates Z: 45 31.492 2.122 0.825 0.442 0.886 0.636 CB 1.468 45 residues pruned to eliminate duplicates Z: 21 57.079 2.511 1.100 0.947 1.000 0.850 CB 1.673 21 residues pruned to eliminate duplicates Z: 32 50.334 2.370 1.056 0.708 0.968 0.742 CB 1.587 32 residues pruned to eliminate duplicates Z: 22 41.827 2.365 0.598 0.944 1.000 1.000 CB 1.673 22 residues pruned to eliminate duplicates Z: 21 37.460 2.360 0.960 0.546 0.950 0.700 CB 1.822 21 residues pruned to eliminate duplicates Z: 12 23.789 2.255 0.843 0.745 1.000 1.000 CB 1.386 12 residues pruned to eliminate duplicates Z: 29 40.172 2.259 0.905 0.564 0.929 0.643 CA 1.785 29 residues pruned to eliminate duplicates Z: 38 54.689 2.328 1.102 0.698 0.946 0.649 CB 1.621 38 residues pruned to eliminate duplicates Z: 30 27.929 2.011 0.575 0.702 0.897 0.724 CB 1.520 30 residues pruned to eliminate duplicates Z: 110 94.532 2.478 1.062 0.576 0.954 0.734 CB 1.727 110 residues pruned to eliminate duplicates Z: 17 14.086 1.628 0.326 0.872 1.000 0.812 CB 1.189 17 residues pruned to eliminate duplicates Z: 99 81.054 2.394 1.055 0.596 0.939 0.714 CB 1.618 99 residues pruned to eliminate duplicates Z: 112 77.122 2.327 0.950 0.567 0.937 0.703 CB 1.613 112 residues pruned to eliminate duplicates Z: 22 40.503 2.081 0.833 0.922 1.000 0.905 CB 1.629 22 residues pruned to eliminate duplicates Z: 112 75.347 2.318 1.011 0.556 0.892 0.622 CB 1.628 112 residues pruned to eliminate duplicates Z: 89 69.504 2.335 0.791 0.627 0.920 0.739 CB 1.708 89 residues pruned to eliminate duplicates Z: 6 2.173 1.340 0.576 0.439 0.600 0.400 CB 0.816 Z: 7 2.467 1.215 0.171 0.505 0.833 0.333 N 0.845 Z: 38 35.114 2.204 0.892 0.520 0.946 0.730 CB 1.434 38 residues pruned to eliminate duplicates Z: 8 7.240 1.586 0.767 0.546 0.857 0.857 CA 1.090 8 residues pruned to eliminate duplicates Z: 23 22.788 2.038 0.703 0.496 0.909 0.636 CB 1.546 23 residues pruned to eliminate duplicates Z: 6 4.460 1.839 -0.077 0.579 0.800 0.400 CB 1.362 Z: 34 40.749 2.196 0.596 0.761 0.939 0.818 CB 1.709 34 residues pruned to eliminate duplicates Z: 85 63.445 2.352 0.784 0.575 0.940 0.750 CB 1.631 85 residues pruned to eliminate duplicates Z: 16 13.559 1.671 0.252 0.890 1.000 0.733 CB 1.204 16 residues pruned to eliminate duplicates Z: 10 23.570 2.403 0.739 0.877 1.000 0.889 CB 1.366 10 residues pruned to eliminate duplicates Z: 66 34.085 2.065 0.765 0.462 0.892 0.615 CB 1.352 66 residues pruned to eliminate duplicates Z: 11 22.137 2.193 1.029 0.759 0.900 0.900 CA 1.388 11 residues pruned to eliminate duplicates Z: 52 35.081 2.117 0.792 0.551 0.882 0.627 CB 1.397 52 residues pruned to eliminate duplicates Z: 7 2.275 1.420 0.448 0.250 0.667 0.333 O 0.903 7 residues pruned to eliminate duplicates Z: 11 11.073 1.883 0.722 0.375 0.900 0.800 CA 1.371 11 residues pruned to eliminate duplicates Z: 6 6.254 1.687 0.523 0.740 1.000 0.800 CB 0.878 Z: 15 13.385 1.740 0.319 0.887 0.929 0.571 CB 1.210 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.572 1.333 0.337 0.449 0.800 0.800 CB 0.519 ? Z: 11 7.133 1.799 0.474 0.376 0.800 0.300 CB 1.213 8 residues pruned to eliminate duplicates Z: 21 56.819 2.532 1.067 0.934 1.000 0.900 CB 1.693 21 residues pruned to eliminate duplicates Z: 58 57.178 2.311 0.949 0.609 0.965 0.649 CB 1.571 58 residues pruned to eliminate duplicates Z: 94 72.978 2.360 0.981 0.577 0.935 0.656 CB 1.607 94 residues pruned to eliminate duplicates Z: 111 80.293 2.350 0.943 0.581 0.955 0.655 CB 1.625 111 residues pruned to eliminate duplicates Z: 111 83.392 2.347 1.045 0.567 0.945 0.645 CB 1.643 111 residues pruned to eliminate duplicates Z: 121 85.679 2.327 1.044 0.572 0.933 0.683 CB 1.643 121 residues pruned to eliminate duplicates Z: 59 52.186 2.363 0.956 0.483 0.914 0.621 CB 1.649 59 residues pruned to eliminate duplicates Z: 94 65.868 2.292 0.884 0.559 0.925 0.710 CB 1.616 94 residues pruned to eliminate duplicates Z: 36 32.191 2.250 0.866 0.417 0.914 0.486 CB 1.545 36 residues pruned to eliminate duplicates Z: 18 24.830 2.233 0.938 0.431 0.882 0.588 CB 1.694 18 residues pruned to eliminate duplicates Z: 121 83.855 2.336 1.015 0.560 0.933 0.650 CB 1.643 121 residues pruned to eliminate duplicates Z: 104 74.915 2.330 0.968 0.554 0.942 0.612 CB 1.622 104 residues pruned to eliminate duplicates Z: 35 28.135 2.243 0.793 0.407 0.912 0.529 CB 1.451 35 residues pruned to eliminate duplicates Z: 113 81.051 2.338 1.010 0.576 0.938 0.643 CB 1.616 113 residues pruned to eliminate duplicates Z: 121 81.031 2.333 0.980 0.551 0.925 0.667 CB 1.647 121 residues pruned to eliminate duplicates Z: 87 62.851 2.319 0.901 0.554 0.919 0.616 CB 1.587 87 residues pruned to eliminate duplicates Z: 31 35.499 2.299 0.955 0.478 0.933 0.567 CB 1.580 31 residues pruned to eliminate duplicates Z: 87 70.021 2.336 1.004 0.564 0.930 0.663 CB 1.630 87 residues pruned to eliminate duplicates Z: 74 61.651 2.290 0.906 0.599 0.959 0.685 CB 1.570 74 residues pruned to eliminate duplicates Z: 58 51.035 2.340 0.943 0.482 0.912 0.684 CB 1.659 58 residues pruned to eliminate duplicates Z: 60 50.572 2.317 0.996 0.475 0.932 0.610 CB 1.566 60 residues pruned to eliminate duplicates Z: 105 70.004 2.296 1.013 0.545 0.933 0.721 CB 1.524 105 residues pruned to eliminate duplicates Z: 120 85.791 2.358 1.046 0.561 0.933 0.647 CB 1.646 120 residues pruned to eliminate duplicates Z: 112 77.939 2.326 0.986 0.563 0.928 0.667 CB 1.624 112 residues pruned to eliminate duplicates Z: 112 79.631 2.336 0.989 0.577 0.937 0.676 CB 1.612 112 residues pruned to eliminate duplicates Z: 114 76.910 2.304 1.026 0.551 0.929 0.664 CB 1.587 114 residues pruned to eliminate duplicates Z: 94 65.738 2.305 0.843 0.543 0.935 0.720 CB 1.645 94 residues pruned to eliminate duplicates Z: 113 77.432 2.308 0.978 0.561 0.946 0.661 CB 1.596 113 residues pruned to eliminate duplicates Z: 39 46.721 2.361 1.001 0.522 0.921 0.711 CB 1.705 39 residues pruned to eliminate duplicates Z: 110 83.542 2.358 1.056 0.585 0.927 0.688 CB 1.642 110 residues pruned to eliminate duplicates Z: 69 59.278 2.337 1.025 0.498 0.912 0.618 CB 1.670 69 residues pruned to eliminate duplicates Z: 113 79.304 2.319 0.986 0.574 0.938 0.661 CB 1.616 113 residues pruned to eliminate duplicates Z: 15 31.196 2.330 1.176 0.576 0.929 0.786 CB 1.646 15 residues pruned to eliminate duplicates Z: 60 53.209 2.369 0.928 0.517 0.915 0.627 CB 1.629 60 residues pruned to eliminate duplicates Z: 135 83.753 2.298 0.949 0.595 0.910 0.649 CB 1.621 135 residues pruned to eliminate duplicates Z: 6 4.779 1.609 0.639 0.475 1.000 0.800 CB 0.832 6 residues pruned to eliminate duplicates Z: 40 57.161 2.384 1.248 0.568 0.949 0.744 CB 1.686 40 residues pruned to eliminate duplicates Z: 121 84.846 2.335 1.019 0.579 0.942 0.675 CB 1.617 121 residues pruned to eliminate duplicates Z: 111 79.209 2.361 0.983 0.576 0.927 0.682 CB 1.617 111 residues pruned to eliminate duplicates Z: 60 53.115 2.307 1.084 0.517 0.881 0.627 CB 1.605 60 residues pruned to eliminate duplicates Z: 69 60.551 2.337 1.050 0.516 0.926 0.647 CB 1.628 69 residues pruned to eliminate duplicates Z: 111 77.598 2.345 0.954 0.563 0.936 0.618 CB 1.623 111 residues pruned to eliminate duplicates Z: 70 59.778 2.316 1.039 0.517 0.942 0.652 CB 1.591 70 residues pruned to eliminate duplicates Z: 59 52.563 2.353 0.991 0.491 0.914 0.638 CB 1.626 59 residues pruned to eliminate duplicates Z: 50 50.288 2.271 1.067 0.531 0.918 0.694 CB 1.616 50 residues pruned to eliminate duplicates Z: 110 83.428 2.351 1.018 0.586 0.963 0.651 CB 1.611 110 residues pruned to eliminate duplicates Z: 114 71.651 2.295 0.924 0.540 0.938 0.637 CB 1.564 114 residues pruned to eliminate duplicates Z: 39 52.370 2.422 1.067 0.542 0.974 0.763 CB 1.672 39 residues pruned to eliminate duplicates Z: 22 21.970 2.171 0.933 0.426 0.810 0.667 CB 1.523 22 residues pruned to eliminate duplicates Z: 121 81.454 2.337 1.014 0.565 0.908 0.675 CB 1.633 121 residues pruned to eliminate duplicates Z: 90 57.675 2.255 0.937 0.518 0.910 0.640 CB 1.511 90 residues pruned to eliminate duplicates Z: 112 74.575 2.295 1.001 0.567 0.919 0.703 CB 1.572 112 residues pruned to eliminate duplicates Z: 102 77.003 2.346 1.022 0.588 0.921 0.673 CB 1.613 102 residues pruned to eliminate duplicates Z: 109 76.319 2.352 0.963 0.549 0.917 0.648 CB 1.655 56 residues pruned to eliminate duplicates Z: 6 5.019 1.839 0.564 0.223 1.000 0.400 N 1.079 6 residues pruned to eliminate duplicates Z: 152 104.924 2.393 1.013 0.615 0.934 0.649 CB 1.703 152 residues pruned to eliminate duplicates Z: 108 88.272 2.444 1.096 0.594 0.916 0.692 CB 1.662 108 residues pruned to eliminate duplicates Z: 152 104.673 2.397 0.967 0.620 0.954 0.728 CB 1.691 152 residues pruned to eliminate duplicates Z: 71 60.440 2.346 0.919 0.578 0.929 0.686 CB 1.603 71 residues pruned to eliminate duplicates Z: 75 84.725 2.493 1.227 0.636 0.919 0.689 CB 1.700 75 residues pruned to eliminate duplicates Z: 103 80.295 2.421 0.856 0.573 0.951 0.725 CB 1.734 103 residues pruned to eliminate duplicates Z: 152 102.127 2.402 0.920 0.611 0.947 0.735 CB 1.712 152 residues pruned to eliminate duplicates Z: 46 58.184 2.458 1.005 0.623 0.911 0.689 CB 1.720 46 residues pruned to eliminate duplicates Z: 103 82.553 2.430 0.938 0.581 0.922 0.676 CB 1.742 103 residues pruned to eliminate duplicates Z: 69 62.715 2.382 0.940 0.590 0.912 0.691 CB 1.655 69 residues pruned to eliminate duplicates Z: 77 83.276 2.458 1.100 0.610 0.974 0.711 CB 1.712 77 residues pruned to eliminate duplicates Z: 29 35.091 2.363 0.904 0.492 0.893 0.607 CB 1.664 29 residues pruned to eliminate duplicates Z: 152 99.224 2.392 0.929 0.607 0.934 0.748 CB 1.694 152 residues pruned to eliminate duplicates Z: 100 82.510 2.420 1.048 0.596 0.919 0.667 CB 1.660 100 residues pruned to eliminate duplicates Z: 22 21.850 2.287 0.765 0.379 0.810 0.429 CB 1.660 22 residues pruned to eliminate duplicates Z: 83 71.759 2.391 0.997 0.577 0.939 0.634 CB 1.641 83 residues pruned to eliminate duplicates Z: 121 91.401 2.402 1.070 0.570 0.942 0.675 CB 1.666 121 residues pruned to eliminate duplicates Z: 109 88.709 2.405 1.076 0.598 0.944 0.676 CB 1.648 109 residues pruned to eliminate duplicates Z: 99 85.058 2.418 1.049 0.609 0.949 0.704 CB 1.649 99 residues pruned to eliminate duplicates Z: 84 78.148 2.410 0.970 0.606 0.940 0.723 CB 1.738 84 residues pruned to eliminate duplicates Z: 84 75.652 2.407 0.948 0.599 0.928 0.663 CB 1.736 84 residues pruned to eliminate duplicates Z: 129 100.201 2.412 0.970 0.630 0.953 0.711 CB 1.731 129 residues pruned to eliminate duplicates Z: 101 78.786 2.391 1.009 0.593 0.920 0.710 CB 1.631 101 residues pruned to eliminate duplicates Z: 41 53.604 2.392 1.274 0.564 0.875 0.675 CB 1.674 41 residues pruned to eliminate duplicates Z: 152 103.070 2.401 0.976 0.628 0.927 0.742 CB 1.691 152 residues pruned to eliminate duplicates Z: 103 83.122 2.410 0.975 0.578 0.922 0.716 CB 1.740 103 residues pruned to eliminate duplicates Z: 129 95.373 2.403 0.922 0.621 0.938 0.703 CB 1.737 129 residues pruned to eliminate duplicates Z: 130 101.071 2.419 0.997 0.645 0.946 0.729 CB 1.701 130 residues pruned to eliminate duplicates Z: 83 78.890 2.412 0.913 0.621 0.951 0.756 CB 1.770 83 residues pruned to eliminate duplicates Z: 85 73.597 2.375 0.911 0.613 0.929 0.690 CB 1.712 85 residues pruned to eliminate duplicates Z: 40 57.642 2.497 1.246 0.546 0.949 0.744 CB 1.658 40 residues pruned to eliminate duplicates Z: 128 99.702 2.437 0.989 0.631 0.929 0.756 CB 1.736 128 residues pruned to eliminate duplicates Z: 152 103.141 2.398 0.976 0.630 0.934 0.709 CB 1.679 152 residues pruned to eliminate duplicates Z: 32 45.641 2.402 1.110 0.593 0.871 0.645 CB 1.699 32 residues pruned to eliminate duplicates Z: 84 79.221 2.399 0.953 0.630 0.940 0.783 CB 1.747 84 residues pruned to eliminate duplicates Z: 129 96.220 2.425 0.954 0.640 0.922 0.711 CB 1.708 129 residues pruned to eliminate duplicates Z: 152 102.537 2.382 0.941 0.626 0.947 0.689 CB 1.693 152 residues pruned to eliminate duplicates Z: 105 80.342 2.396 0.924 0.589 0.923 0.673 CB 1.700 105 residues pruned to eliminate duplicates Z: 84 77.716 2.394 0.990 0.618 0.940 0.747 CB 1.704 84 residues pruned to eliminate duplicates Z: 39 52.535 2.466 1.281 0.529 0.921 0.711 CB 1.598 39 residues pruned to eliminate duplicates Z: 154 103.339 2.374 0.994 0.625 0.941 0.745 CB 1.667 154 residues pruned to eliminate duplicates Z: 87 84.915 2.441 1.158 0.595 0.942 0.744 CB 1.685 87 residues pruned to eliminate duplicates Z: 101 82.109 2.406 1.017 0.586 0.940 0.680 CB 1.658 101 residues pruned to eliminate duplicates Z: 109 83.263 2.422 0.987 0.562 0.954 0.639 CB 1.644 109 residues pruned to eliminate duplicates Z: 33 52.018 2.440 1.366 0.548 0.938 0.719 CB 1.621 33 residues pruned to eliminate duplicates Z: 104 74.842 2.399 0.844 0.568 0.922 0.670 CB 1.693 104 residues pruned to eliminate duplicates Z: 68 66.504 2.328 0.871 0.651 0.955 0.791 CB 1.697 68 residues pruned to eliminate duplicates Z: 83 77.587 2.413 0.949 0.602 0.951 0.744 CB 1.738 83 residues pruned to eliminate duplicates Z: 129 97.222 2.410 0.990 0.624 0.930 0.695 CB 1.715 129 residues pruned to eliminate duplicates Z: 128 103.187 2.435 1.053 0.639 0.937 0.780 CB 1.716 128 residues pruned to eliminate duplicates Z: 129 98.416 2.419 0.998 0.625 0.930 0.703 CB 1.722 129 residues pruned to eliminate duplicates Z: 128 96.941 2.431 0.997 0.612 0.929 0.693 CB 1.715 128 residues pruned to eliminate duplicates Z: 84 77.451 2.399 0.979 0.618 0.928 0.771 CB 1.726 84 residues pruned to eliminate duplicates Z: 103 82.847 2.434 0.942 0.576 0.931 0.696 CB 1.732 103 residues pruned to eliminate duplicates Z: 83 77.902 2.420 0.962 0.615 0.939 0.707 CB 1.731 83 residues pruned to eliminate duplicates Z: 54 58.061 2.316 0.774 0.679 0.943 0.792 CB 1.745 54 residues pruned to eliminate duplicates Z: 54 52.769 2.333 0.698 0.629 0.925 0.792 CB 1.753 54 residues pruned to eliminate duplicates Z: 48 50.124 2.293 0.712 0.672 0.894 0.787 CB 1.779 48 residues pruned to eliminate duplicates Z: 16 25.862 2.307 0.940 0.514 0.867 0.533 CB 1.698 16 residues pruned to eliminate duplicates Z: 46 57.035 2.328 0.740 0.718 0.956 0.822 CB 1.804 46 residues pruned to eliminate duplicates Z: 103 80.996 2.412 0.921 0.594 0.931 0.686 CB 1.699 103 residues pruned to eliminate duplicates Z: 47 52.731 2.304 0.744 0.687 0.935 0.826 CB 1.744 47 residues pruned to eliminate duplicates Z: 48 51.639 2.281 0.707 0.675 0.936 0.809 CB 1.759 48 residues pruned to eliminate duplicates Z: 83 77.042 2.411 0.953 0.615 0.939 0.756 CB 1.725 83 residues pruned to eliminate duplicates Z: 51 44.128 2.190 0.624 0.635 0.920 0.740 CB 1.681 51 residues pruned to eliminate duplicates Z: 83 81.444 2.411 1.054 0.644 0.927 0.768 CB 1.712 83 residues pruned to eliminate duplicates Z: 128 97.066 2.423 1.000 0.631 0.929 0.772 CB 1.692 128 residues pruned to eliminate duplicates Z: 153 99.238 2.385 0.971 0.612 0.921 0.684 CB 1.671 153 residues pruned to eliminate duplicates Z: 46 52.097 2.319 0.648 0.703 0.956 0.733 CB 1.767 46 residues pruned to eliminate duplicates Z: 153 97.197 2.356 0.907 0.633 0.934 0.724 CB 1.659 153 residues pruned to eliminate duplicates Z: 34 44.627 2.247 0.677 0.750 0.970 0.818 CB 1.701 34 residues pruned to eliminate duplicates Z: 46 50.720 2.272 0.731 0.687 0.911 0.778 CB 1.778 46 residues pruned to eliminate duplicates Z: 151 102.799 2.390 0.973 0.618 0.953 0.687 CB 1.670 151 residues pruned to eliminate duplicates Z: 48 50.723 2.258 0.691 0.697 0.957 0.787 CB 1.691 48 residues pruned to eliminate duplicates Z: 34 45.928 2.224 0.638 0.759 1.000 0.848 CB 1.744 34 residues pruned to eliminate duplicates Z: 110 69.217 2.314 0.741 0.618 0.890 0.752 CB 1.653 110 residues pruned to eliminate duplicates Z: 50 47.428 2.149 0.710 0.675 0.918 0.735 CB 1.709 50 residues pruned to eliminate duplicates Z: 85 74.630 2.370 0.952 0.622 0.929 0.726 CB 1.689 85 residues pruned to eliminate duplicates Z: 141 87.587 2.360 0.869 0.580 0.907 0.707 CB 1.713 141 residues pruned to eliminate duplicates Z: 128 97.856 2.425 0.994 0.628 0.929 0.740 CB 1.713 128 residues pruned to eliminate duplicates Z: 71 75.189 2.389 1.037 0.642 0.943 0.786 CB 1.716 71 residues pruned to eliminate duplicates Z: 46 55.761 2.330 0.769 0.707 0.956 0.822 CB 1.748 46 residues pruned to eliminate duplicates Z: 47 56.490 2.291 0.805 0.709 0.957 0.804 CB 1.741 47 residues pruned to eliminate duplicates Z: 50 49.842 2.226 0.737 0.690 0.939 0.755 CB 1.649 50 residues pruned to eliminate duplicates Z: 46 55.738 2.319 0.743 0.703 0.956 0.822 CB 1.788 46 residues pruned to eliminate duplicates Z: 103 87.907 2.439 0.977 0.599 0.941 0.667 CB 1.746 103 residues pruned to eliminate duplicates Z: 128 102.056 2.435 1.009 0.646 0.953 0.701 CB 1.696 128 residues pruned to eliminate duplicates Z: 84 77.378 2.401 0.963 0.611 0.952 0.771 CB 1.705 84 residues pruned to eliminate duplicates Z: 85 57.783 2.214 0.826 0.574 0.893 0.714 CB 1.626 85 residues pruned to eliminate duplicates Z: 31 45.269 2.251 0.599 0.803 1.000 0.867 CB 1.763 31 residues pruned to eliminate duplicates Z: 59 51.800 2.232 0.767 0.640 0.931 0.759 CB 1.625 59 residues pruned to eliminate duplicates Z: 46 58.643 2.315 0.810 0.715 0.956 0.778 CB 1.797 46 residues pruned to eliminate duplicates Z: 99 80.333 2.362 0.908 0.605 0.949 0.724 CB 1.716 99 residues pruned to eliminate duplicates Z: 141 91.838 2.361 0.957 0.610 0.914 0.671 CB 1.655 141 residues pruned to eliminate duplicates Z: 85 77.960 2.391 1.028 0.604 0.929 0.726 CB 1.711 85 residues pruned to eliminate duplicates Z: 47 56.198 2.294 0.876 0.687 0.935 0.739 CB 1.735 47 residues pruned to eliminate duplicates Z: 103 84.619 2.424 1.001 0.580 0.931 0.676 CB 1.717 103 residues pruned to eliminate duplicates Z: 46 59.218 2.327 0.905 0.696 0.956 0.711 CB 1.744 46 residues pruned to eliminate duplicates Z: 47 57.436 2.290 0.854 0.694 0.957 0.783 CB 1.747 47 residues pruned to eliminate duplicates Z: 128 86.419 2.360 1.035 0.552 0.890 0.646 CB 1.706 128 residues pruned to eliminate duplicates Z: 76 62.131 2.244 0.859 0.612 0.907 0.627 CB 1.706 76 residues pruned to eliminate duplicates Z: 26 34.172 2.192 0.874 0.528 0.960 0.560 CB 1.686 26 residues pruned to eliminate duplicates Z: 22 39.547 2.391 0.964 0.570 0.952 0.619 CB 1.803 22 residues pruned to eliminate duplicates Z: 24 36.901 2.262 0.894 0.556 0.957 0.696 CB 1.778 24 residues pruned to eliminate duplicates Z: 23 36.960 2.312 0.843 0.549 1.000 0.636 CB 1.762 23 residues pruned to eliminate duplicates Z: 24 35.231 2.281 0.812 0.525 1.000 0.565 CB 1.733 24 residues pruned to eliminate duplicates Z: 26 34.965 2.216 0.882 0.557 0.960 0.640 CB 1.652 26 residues pruned to eliminate duplicates Z: 26 30.502 2.194 0.780 0.507 0.920 0.640 CB 1.687 26 residues pruned to eliminate duplicates Z: 23 36.361 2.309 0.855 0.569 0.955 0.727 CB 1.772 23 residues pruned to eliminate duplicates Z: 34 25.779 2.128 0.714 0.499 0.879 0.636 CB 1.401 34 residues pruned to eliminate duplicates Z: 24 35.277 2.254 0.914 0.532 0.957 0.609 CB 1.727 24 residues pruned to eliminate duplicates Z: 22 42.446 2.354 0.991 0.612 0.952 0.619 CA 1.867 22 residues pruned to eliminate duplicates Z: 27 36.445 2.217 0.976 0.564 0.923 0.577 CB 1.660 27 residues pruned to eliminate duplicates Z: 24 34.933 2.239 0.885 0.558 0.957 0.652 CB 1.706 24 residues pruned to eliminate duplicates Z: 56 54.279 2.324 0.848 0.621 0.945 0.709 CB 1.608 56 residues pruned to eliminate duplicates Z: 29 32.771 2.149 0.786 0.515 0.964 0.607 CB 1.649 29 residues pruned to eliminate duplicates Z: 26 31.304 2.208 0.832 0.526 0.920 0.560 CB 1.640 26 residues pruned to eliminate duplicates Z: 22 37.427 2.385 0.825 0.570 0.952 0.667 CB 1.842 22 residues pruned to eliminate duplicates Z: 28 27.473 2.131 0.679 0.476 0.926 0.667 CB 1.635 28 residues pruned to eliminate duplicates Z: 97 66.730 2.316 0.903 0.542 0.927 0.656 CB 1.600 97 residues pruned to eliminate duplicates Z: 23 38.138 2.328 0.872 0.580 0.955 0.682 CB 1.809 23 residues pruned to eliminate duplicates Z: 143 81.867 2.290 0.780 0.586 0.944 0.711 CB 1.644 143 residues pruned to eliminate duplicates Z: 109 76.765 2.335 0.907 0.574 0.944 0.704 CB 1.635 109 residues pruned to eliminate duplicates Z: 121 78.951 2.327 0.902 0.557 0.942 0.667 CB 1.637 121 residues pruned to eliminate duplicates Z: 112 72.806 2.329 0.856 0.546 0.937 0.649 CB 1.631 112 residues pruned to eliminate duplicates Z: 112 75.718 2.339 0.885 0.562 0.946 0.667 CB 1.622 112 residues pruned to eliminate duplicates Z: 112 77.746 2.336 0.932 0.566 0.946 0.658 CB 1.622 112 residues pruned to eliminate duplicates Z: 112 75.667 2.343 0.904 0.552 0.937 0.676 CB 1.632 112 residues pruned to eliminate duplicates Z: 112 76.330 2.332 0.961 0.550 0.928 0.631 CB 1.626 112 residues pruned to eliminate duplicates Z: 112 72.288 2.330 0.788 0.562 0.937 0.694 CB 1.656 112 residues pruned to eliminate duplicates Z: 31 34.336 2.190 0.889 0.524 0.933 0.667 CB 1.585 31 residues pruned to eliminate duplicates Z: 111 75.548 2.354 0.894 0.555 0.936 0.627 CB 1.636 111 residues pruned to eliminate duplicates Z: 79 71.769 2.420 0.969 0.581 0.949 0.705 CB 1.662 79 residues pruned to eliminate duplicates Z: 89 73.000 2.388 0.912 0.559 0.955 0.636 CB 1.686 89 residues pruned to eliminate duplicates Z: 58 53.106 2.390 0.784 0.592 0.947 0.684 CB 1.595 58 residues pruned to eliminate duplicates Z: 113 75.042 2.321 0.925 0.553 0.929 0.643 CB 1.622 113 residues pruned to eliminate duplicates Z: 101 78.476 2.365 0.991 0.583 0.940 0.730 CB 1.637 101 residues pruned to eliminate duplicates Z: 86 69.135 2.345 0.960 0.567 0.941 0.659 CB 1.624 86 residues pruned to eliminate duplicates Z: 88 66.193 2.323 0.967 0.571 0.920 0.667 CB 1.576 88 residues pruned to eliminate duplicates Z: 112 78.753 2.338 0.978 0.561 0.937 0.622 CB 1.626 112 residues pruned to eliminate duplicates Z: 94 75.648 2.347 1.014 0.566 0.957 0.613 CB 1.627 94 residues pruned to eliminate duplicates Z: 163 98.245 2.383 0.953 0.552 0.938 0.642 CB 1.680 146 residues pruned to eliminate duplicates Z: 20 67.340 2.600 1.261 0.952 1.000 0.947 CB 1.810 20 residues pruned to eliminate duplicates Z: 146 86.665 2.300 0.912 0.575 0.938 0.669 CB 1.623 146 residues pruned to eliminate duplicates Z: 85 72.088 2.374 1.016 0.578 0.929 0.690 CB 1.641 85 residues pruned to eliminate duplicates Z: 146 87.231 2.312 0.968 0.569 0.917 0.697 CB 1.624 146 residues pruned to eliminate duplicates Z: 6 5.481 1.601 0.736 0.458 1.000 1.000 CA 0.920 Z: 6 6.278 1.599 1.106 0.362 0.800 0.800 CA 1.209 Z: 6 7.512 1.695 1.079 0.318 1.000 0.400 CA 1.165 Z: 6 3.586 1.672 0.695 0.399 0.800 0.800 CA 0.787 Z: 6 5.059 1.775 0.347 0.494 1.000 0.800 CB 0.951 Z: 7 8.860 1.918 0.727 0.486 1.000 0.833 CA 1.108 Z: 7 6.415 1.805 0.712 0.419 1.000 0.667 CA 0.922 7 residues pruned to eliminate duplicates Z: 27 33.881 2.214 0.568 0.699 0.962 0.846 CB 1.660 13 residues pruned to eliminate duplicates Z: 18 28.036 1.972 0.577 0.836 1.000 0.706 CB 1.637 18 residues pruned to eliminate duplicates Z: 27 34.399 2.206 0.598 0.697 0.962 0.846 CB 1.662 27 residues pruned to eliminate duplicates Z: 16 28.796 2.107 0.590 0.912 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 16 29.782 2.076 0.713 0.899 1.000 0.867 CB 1.546 16 residues pruned to eliminate duplicates Z: 16 25.367 2.080 0.606 0.890 0.933 0.867 CB 1.511 16 residues pruned to eliminate duplicates Z: 29 31.630 2.132 0.583 0.676 0.964 0.786 CB 1.562 29 residues pruned to eliminate duplicates Z: 42 39.058 2.107 0.700 0.633 0.951 0.756 CB 1.580 39 residues pruned to eliminate duplicates Z: 17 28.898 2.053 0.685 0.873 1.000 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 28 31.589 2.177 0.567 0.671 0.963 0.815 CB 1.580 28 residues pruned to eliminate duplicates Z: 29 30.460 2.124 0.633 0.630 0.929 0.786 CB 1.582 29 residues pruned to eliminate duplicates Z: 150 84.964 2.287 0.898 0.568 0.940 0.691 CB 1.598 192 residues pruned to eliminate duplicates Z: 28 35.781 2.171 0.700 0.701 1.000 0.815 CB 1.553 Z: 17 24.467 2.061 0.510 0.900 0.938 0.812 CB 1.498 17 residues pruned to eliminate duplicates Z: 29 31.681 2.143 0.602 0.647 0.964 0.679 CB 1.576 29 residues pruned to eliminate duplicates Z: 29 29.551 2.142 0.542 0.644 0.929 0.750 CB 1.592 29 residues pruned to eliminate duplicates Z: 105 63.647 2.226 0.837 0.581 0.923 0.702 CB 1.529 105 residues pruned to eliminate duplicates Z: 43 46.407 2.301 0.681 0.665 0.952 0.738 CB 1.668 43 residues pruned to eliminate duplicates Z: 106 61.926 2.213 0.799 0.581 0.933 0.695 CB 1.504 106 residues pruned to eliminate duplicates Z: 21 44.620 2.378 0.630 0.935 1.000 1.000 CB 1.794 21 residues pruned to eliminate duplicates Z: 84 54.837 2.211 0.800 0.598 0.928 0.663 CB 1.484 84 residues pruned to eliminate duplicates Z: 107 62.199 2.205 0.830 0.588 0.906 0.651 CB 1.519 107 residues pruned to eliminate duplicates Z: 105 61.891 2.210 0.780 0.591 0.923 0.635 CB 1.532 105 residues pruned to eliminate duplicates Z: 106 64.393 2.219 0.849 0.577 0.943 0.657 CB 1.508 106 residues pruned to eliminate duplicates Z: 58 52.945 2.285 0.840 0.626 0.947 0.684 CB 1.563 58 residues pruned to eliminate duplicates Z: 43 51.322 2.278 0.852 0.643 1.000 0.667 CB 1.642 43 residues pruned to eliminate duplicates Z: 44 49.108 2.267 0.887 0.659 0.907 0.721 CB 1.665 44 residues pruned to eliminate duplicates Z: 41 56.854 2.331 0.945 0.688 1.000 0.700 CB 1.669 41 residues pruned to eliminate duplicates Z: 105 66.142 2.223 0.906 0.587 0.923 0.635 CB 1.525 106 residues pruned to eliminate duplicates Z: 21 59.875 2.401 1.155 0.944 1.000 0.950 CB 1.792 21 residues pruned to eliminate duplicates Z: 43 51.436 2.297 0.898 0.669 0.952 0.643 CB 1.635 43 residues pruned to eliminate duplicates Z: 74 58.840 2.257 0.888 0.586 0.945 0.685 CB 1.575 74 residues pruned to eliminate duplicates Z: 94 62.432 2.237 0.844 0.592 0.925 0.667 CB 1.554 94 residues pruned to eliminate duplicates Z: 30 40.621 2.213 0.979 0.702 0.931 0.759 CB 1.539 30 residues pruned to eliminate duplicates Z: 44 56.290 2.297 0.999 0.660 0.977 0.698 CB 1.651 44 residues pruned to eliminate duplicates Z: 22 55.744 2.360 1.163 0.950 1.000 0.667 CB 1.643 22 residues pruned to eliminate duplicates Z: 105 68.174 2.228 0.890 0.593 0.942 0.635 CB 1.541 105 residues pruned to eliminate duplicates Z: 106 62.599 2.207 0.843 0.583 0.914 0.657 CB 1.516 106 residues pruned to eliminate duplicates Z: 44 51.385 2.262 0.928 0.667 0.930 0.698 CB 1.655 44 residues pruned to eliminate duplicates Z: 73 63.805 2.293 0.940 0.593 0.944 0.639 CB 1.639 73 residues pruned to eliminate duplicates Z: 57 58.636 2.290 0.921 0.638 0.964 0.625 CB 1.624 57 residues pruned to eliminate duplicates Z: 82 50.858 2.181 0.849 0.537 0.926 0.642 CB 1.460 82 residues pruned to eliminate duplicates Z: 61 52.592 2.223 0.949 0.587 0.917 0.600 CB 1.571 61 residues pruned to eliminate duplicates Z: 92 66.885 2.268 0.910 0.582 0.945 0.637 CB 1.583 92 residues pruned to eliminate duplicates Z: 35 31.158 2.202 0.902 0.498 0.853 0.618 CB 1.498 35 residues pruned to eliminate duplicates Z: 74 62.427 2.286 0.933 0.615 0.932 0.589 CB 1.592 74 residues pruned to eliminate duplicates Z: 80 47.976 2.189 0.817 0.501 0.911 0.620 CB 1.488 80 residues pruned to eliminate duplicates Z: 79 52.406 2.213 0.825 0.519 0.936 0.641 CB 1.540 79 residues pruned to eliminate duplicates Z: 14 30.310 2.414 0.945 0.447 1.000 0.615 CB 1.891 14 residues pruned to eliminate duplicates Z: 105 66.509 2.218 0.909 0.583 0.923 0.673 CB 1.541 105 residues pruned to eliminate duplicates Z: 95 66.012 2.227 0.945 0.590 0.936 0.638 CB 1.540 95 residues pruned to eliminate duplicates Z: 104 66.702 2.230 0.921 0.594 0.922 0.641 CB 1.521 104 residues pruned to eliminate duplicates Z: 42 56.204 2.338 1.011 0.645 0.976 0.585 CB 1.671 42 residues pruned to eliminate duplicates Z: 43 52.548 2.298 0.931 0.639 0.952 0.643 CB 1.684 43 residues pruned to eliminate duplicates Z: 81 51.485 2.187 0.800 0.531 0.950 0.650 CB 1.492 82 residues pruned to eliminate duplicates Z: 6 2.672 1.542 0.693 0.322 0.800 0.600 CB 0.696 6 residues pruned to eliminate duplicates Z: 15 22.261 2.251 0.898 0.529 0.929 0.786 CB 1.458 15 residues pruned to eliminate duplicates Z: 15 20.835 2.249 0.758 0.501 0.929 0.643 CB 1.516 15 residues pruned to eliminate duplicates Z: 32 43.008 2.267 1.158 0.582 0.935 0.710 CB 1.560 32 residues pruned to eliminate duplicates Z: 51 43.176 2.196 0.932 0.580 0.900 0.660 CB 1.481 51 residues pruned to eliminate duplicates Z: 64 44.389 2.152 0.891 0.546 0.921 0.619 CB 1.427 64 residues pruned to eliminate duplicates Z: 63 45.542 2.157 0.937 0.538 0.919 0.661 CB 1.450 63 residues pruned to eliminate duplicates Z: 39 33.310 2.154 0.730 0.544 0.947 0.711 CB 1.466 39 residues pruned to eliminate duplicates Z: 17 14.947 2.129 0.704 0.435 0.875 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 62 39.965 2.168 0.770 0.541 0.902 0.623 CB 1.421 62 residues pruned to eliminate duplicates Z: 73 68.486 2.302 0.995 0.618 0.958 0.667 CB 1.640 73 residues pruned to eliminate duplicates Z: 64 43.796 2.134 0.838 0.538 0.952 0.587 CB 1.423 64 residues pruned to eliminate duplicates Z: 34 33.947 2.183 0.911 0.528 0.909 0.667 CB 1.516 34 residues pruned to eliminate duplicates Z: 41 35.898 2.213 0.851 0.523 0.900 0.675 CB 1.505 41 residues pruned to eliminate duplicates Z: 52 35.552 2.112 0.797 0.511 0.922 0.647 CB 1.408 52 residues pruned to eliminate duplicates Z: 63 42.797 2.162 0.855 0.540 0.919 0.613 CB 1.417 63 residues pruned to eliminate duplicates Z: 50 39.117 2.170 0.839 0.559 0.918 0.653 CB 1.440 50 residues pruned to eliminate duplicates Z: 64 39.317 2.159 0.833 0.503 0.889 0.635 CB 1.404 64 residues pruned to eliminate duplicates Z: 61 47.119 2.204 0.887 0.543 0.933 0.667 CB 1.502 61 residues pruned to eliminate duplicates Z: 30 40.168 2.316 1.033 0.570 0.931 0.690 CB 1.591 30 residues pruned to eliminate duplicates Z: 50 40.699 2.164 0.890 0.558 0.939 0.653 CB 1.430 50 residues pruned to eliminate duplicates Z: 21 28.225 2.147 0.908 0.560 0.950 0.550 CB 1.530 21 residues pruned to eliminate duplicates Z: 49 36.063 2.169 0.729 0.525 0.938 0.667 CB 1.445 49 residues pruned to eliminate duplicates Z: 52 41.563 2.193 0.987 0.545 0.902 0.686 CB 1.417 52 residues pruned to eliminate duplicates Z: 51 37.250 2.148 0.855 0.531 0.900 0.620 CB 1.425 51 residues pruned to eliminate duplicates Z: 64 44.512 2.167 0.918 0.532 0.921 0.698 CB 1.421 64 residues pruned to eliminate duplicates Z: 33 29.751 2.180 0.782 0.494 0.906 0.656 CB 1.503 33 residues pruned to eliminate duplicates Z: 63 40.383 2.138 0.782 0.531 0.919 0.629 CB 1.421 63 residues pruned to eliminate duplicates Z: 50 38.389 2.156 0.929 0.520 0.898 0.633 CB 1.439 50 residues pruned to eliminate duplicates Z: 63 46.131 2.150 0.938 0.551 0.935 0.677 CB 1.429 63 residues pruned to eliminate duplicates Z: 37 41.525 2.245 0.970 0.537 0.944 0.639 CB 1.598 37 residues pruned to eliminate duplicates Z: 31 25.751 2.048 0.864 0.513 0.900 0.667 CB 1.351 31 residues pruned to eliminate duplicates Z: 50 36.814 2.149 0.821 0.498 0.918 0.633 CB 1.467 49 residues pruned to eliminate duplicates Z: 6 4.579 1.545 0.647 0.334 0.800 0.400 CB 1.206 6 residues pruned to eliminate duplicates Z: 51 37.359 2.212 0.827 0.504 0.860 0.600 CB 1.514 51 residues pruned to eliminate duplicates Z: 33 24.333 2.014 0.788 0.482 0.938 0.625 CB 1.297 33 residues pruned to eliminate duplicates Z: 32 24.916 2.042 0.756 0.499 0.935 0.581 CB 1.335 32 residues pruned to eliminate duplicates Z: 34 24.774 2.010 0.703 0.513 0.939 0.606 CB 1.324 34 residues pruned to eliminate duplicates Z: 63 44.510 2.183 0.894 0.534 0.935 0.710 CB 1.413 63 residues pruned to eliminate duplicates Z: 32 24.777 2.045 0.810 0.534 0.903 0.710 CB 1.287 32 residues pruned to eliminate duplicates Z: 31 25.802 2.055 0.730 0.511 0.967 0.667 CB 1.356 31 residues pruned to eliminate duplicates Z: 52 36.768 2.107 0.872 0.528 0.922 0.667 CB 1.378 52 residues pruned to eliminate duplicates Z: 63 46.560 2.165 0.976 0.563 0.919 0.661 CB 1.415 63 residues pruned to eliminate duplicates Z: 51 41.501 2.186 0.884 0.545 0.960 0.720 CB 1.421 51 residues pruned to eliminate duplicates Z: 64 46.552 2.163 0.943 0.554 0.937 0.683 CB 1.413 64 residues pruned to eliminate duplicates Z: 64 42.547 2.124 0.954 0.553 0.889 0.746 CB 1.380 64 residues pruned to eliminate duplicates Z: 52 45.380 2.211 1.017 0.537 0.941 0.725 CB 1.460 52 residues pruned to eliminate duplicates Z: 52 39.422 2.105 0.896 0.542 0.961 0.608 CB 1.381 52 residues pruned to eliminate duplicates Z: 31 26.749 2.083 0.883 0.553 0.933 0.700 CB 1.267 31 residues pruned to eliminate duplicates Z: 12 13.646 2.024 0.486 0.643 0.909 0.727 CB 1.317 13 residues pruned to eliminate duplicates Z: 6 5.425 1.502 0.783 0.385 1.000 0.600 CA 1.023 6 residues pruned to eliminate duplicates Z: 13 11.708 1.909 0.470 0.502 1.000 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 65 51.232 2.205 0.920 0.606 0.906 0.672 CB 1.509 65 residues pruned to eliminate duplicates Z: 63 41.271 2.170 0.843 0.506 0.919 0.661 CB 1.417 63 residues pruned to eliminate duplicates Z: 12 13.556 1.945 0.501 0.616 1.000 0.818 CB 1.254 12 residues pruned to eliminate duplicates Z: 19 13.714 1.540 0.424 0.873 1.000 0.778 CB 1.074 19 residues pruned to eliminate duplicates Z: 31 18.150 1.715 0.452 0.695 0.967 0.600 CB 1.152 28 residues pruned to eliminate duplicates Z: 16 16.018 1.687 0.527 0.870 1.000 0.600 CB 1.172 16 residues pruned to eliminate duplicates Z: 16 15.027 1.692 0.381 0.893 1.000 0.733 CB 1.191 16 residues pruned to eliminate duplicates Z: 17 14.388 1.635 0.394 0.853 1.000 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 83 44.846 2.011 0.835 0.581 0.939 0.732 CB 1.323 83 residues pruned to eliminate duplicates Z: 17 14.972 1.640 0.426 0.878 1.000 0.625 CB 1.162 17 residues pruned to eliminate duplicates Z: 18 14.821 1.596 0.453 0.892 1.000 0.882 CB 1.114 18 residues pruned to eliminate duplicates Z: 67 37.713 2.016 0.725 0.579 0.924 0.727 CB 1.338 67 residues pruned to eliminate duplicates Z: 18 15.704 1.587 0.513 0.886 1.000 0.765 CB 1.144 17 residues pruned to eliminate duplicates Z: 16 15.752 1.678 0.446 0.877 1.000 0.800 CB 1.217 16 residues pruned to eliminate duplicates Z: 53 26.560 1.843 0.663 0.577 0.923 0.596 CB 1.209 53 residues pruned to eliminate duplicates Z: 17 16.424 1.638 0.553 0.875 1.000 0.812 CB 1.174 17 residues pruned to eliminate duplicates Z: 16 15.954 1.693 0.413 0.898 1.000 0.933 CB 1.232 16 residues pruned to eliminate duplicates Z: 18 15.953 1.933 0.474 0.581 0.882 0.706 CB 1.424 18 residues pruned to eliminate duplicates Z: 8 6.561 1.643 0.098 0.530 1.000 0.714 C 1.334 8 residues pruned to eliminate duplicates Z: 19 16.277 1.887 0.541 0.506 0.944 0.500 CB 1.389 19 residues pruned to eliminate duplicates Z: 18 20.348 1.946 0.593 0.594 1.000 0.765 CB 1.456 18 residues pruned to eliminate duplicates Z: 17 21.452 1.973 0.653 0.612 1.000 0.688 CB 1.479 17 residues pruned to eliminate duplicates Z: 17 18.988 1.925 0.694 0.539 0.938 0.750 CB 1.495 17 residues pruned to eliminate duplicates Z: 18 15.090 1.936 0.439 0.532 0.882 0.647 CB 1.443 18 residues pruned to eliminate duplicates Z: 17 15.081 1.912 0.508 0.498 0.938 0.625 CB 1.398 17 residues pruned to eliminate duplicates Z: 18 18.495 1.944 0.500 0.569 1.000 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 17 19.056 1.951 0.618 0.568 0.938 0.625 CB 1.507 17 residues pruned to eliminate duplicates Z: 19 15.595 1.867 0.559 0.551 0.889 0.667 CB 1.351 19 residues pruned to eliminate duplicates Z: 8 6.041 1.553 0.695 0.427 0.714 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 7 7.994 1.518 0.764 0.623 1.000 0.500 CA 1.086 7 residues pruned to eliminate duplicates Z: 8 10.415 1.738 0.811 0.546 0.857 0.571 CB 1.395 8 residues pruned to eliminate duplicates Z: 6 11.363 1.858 0.722 0.591 1.000 0.800 CA 1.455 6 residues pruned to eliminate duplicates 387 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 204 D: 28 E: 124 F: 18 CC for partial structure against native data = 38.12 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.525, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.604, Connect. = 0.801 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 0.739, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 0.756, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 0.765, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 0.775, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 0.780, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 0.785, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 0.789, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2450 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 548 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 32.886 2.174 0.475 0.891 0.952 0.857 CA 1.689 B: 21 58.498 2.544 1.128 0.922 1.000 0.750 CB 1.699 C: 21 57.154 2.392 1.088 0.930 1.000 0.800 CB 1.789 D: 22 47.462 2.365 0.867 0.941 1.000 0.857 CB 1.628 22 residues pruned to eliminate duplicates E: 22 44.011 2.359 0.781 0.933 1.000 0.810 CB 1.596 22 residues pruned to eliminate duplicates F: 19 30.477 2.256 0.945 0.550 0.944 0.611 CB 1.651 G: 21 49.031 2.391 0.801 0.944 1.000 0.950 CB 1.763 21 residues pruned to eliminate duplicates H: 22 36.884 2.390 0.502 0.937 1.000 0.857 CB 1.560 I: 22 45.915 2.420 0.796 0.918 1.000 0.857 CB 1.625 22 residues pruned to eliminate duplicates J: 101 79.138 2.377 1.070 0.577 0.930 0.660 CB 1.606 21 residues pruned to eliminate duplicates K: 21 66.123 2.566 1.294 0.929 1.000 0.750 CB 1.758 21 residues pruned to eliminate duplicates L: 110 87.869 2.402 1.108 0.578 0.927 0.661 CB 1.665 22 residues pruned to eliminate duplicates M: 21 50.427 2.466 0.929 0.935 1.000 0.900 CB 1.652 21 residues pruned to eliminate duplicates N: 22 52.074 2.368 1.036 0.943 1.000 0.857 CB 1.633 22 residues pruned to eliminate duplicates O: 21 55.953 2.541 0.979 0.940 1.000 0.950 CB 1.728 21 residues pruned to eliminate duplicates P: 21 45.493 2.465 0.778 0.948 0.950 0.900 CB 1.687 21 residues pruned to eliminate duplicates Q: 84 75.603 2.377 0.959 0.614 0.940 0.699 CB 1.703 65 residues pruned to eliminate duplicates R: 24 33.595 2.255 0.780 0.541 1.000 0.652 CB 1.677 24 residues pruned to eliminate duplicates S: 84 76.947 2.399 0.924 0.611 0.928 0.687 CB 1.775 84 residues pruned to eliminate duplicates T: 21 44.516 2.389 0.617 0.943 1.000 0.950 CB 1.786 21 residues pruned to eliminate duplicates U: 22 45.881 2.364 0.815 0.929 1.000 0.905 CB 1.633 22 residues pruned to eliminate duplicates V: 21 51.694 2.397 0.862 0.936 1.000 0.950 CB 1.804 21 residues pruned to eliminate duplicates W: 22 41.484 2.386 0.733 0.907 0.952 0.905 CB 1.634 22 residues pruned to eliminate duplicates X: 21 50.394 2.556 0.791 0.897 1.000 0.950 CB 1.762 21 residues pruned to eliminate duplicates Y: 152 104.122 2.395 0.952 0.613 0.960 0.722 CB 1.695 151 residues pruned to eliminate duplicates Z: 103 81.164 2.432 0.900 0.577 0.922 0.667 CB 1.752 103 residues pruned to eliminate duplicates Z: 22 41.476 2.401 0.628 0.941 1.000 0.905 CB 1.606 22 residues pruned to eliminate duplicates Z: 154 97.934 2.378 0.905 0.613 0.928 0.712 CB 1.691 154 residues pruned to eliminate duplicates Z: 101 79.325 2.381 1.004 0.591 0.930 0.630 CB 1.638 101 residues pruned to eliminate duplicates Z: 114 78.217 2.298 0.989 0.578 0.956 0.699 CB 1.562 101 residues pruned to eliminate duplicates Z: 48 48.311 2.269 0.678 0.659 0.894 0.745 CB 1.786 48 residues pruned to eliminate duplicates Z: 20 72.254 2.591 1.391 0.956 1.000 0.895 CB 1.837 20 residues pruned to eliminate duplicates Z: 153 100.913 2.379 0.924 0.604 0.954 0.684 CB 1.698 153 residues pruned to eliminate duplicates Z: 21 54.550 2.482 0.975 0.950 1.000 0.900 CB 1.716 21 residues pruned to eliminate duplicates Z: 20 69.561 2.586 1.209 0.953 1.000 0.895 CB 1.922 20 residues pruned to eliminate duplicates Z: 20 65.014 2.601 1.163 0.940 1.000 0.842 CB 1.841 20 residues pruned to eliminate duplicates Z: 64 46.982 2.166 0.955 0.551 0.952 0.619 CB 1.397 19 residues pruned to eliminate duplicates Z: 28 36.590 2.224 0.620 0.707 0.963 0.852 CB 1.682 Z: 21 59.133 2.535 1.136 0.945 1.000 0.800 CB 1.690 21 residues pruned to eliminate duplicates Z: 26 37.064 2.268 0.977 0.582 0.920 0.760 CB 1.661 28 residues pruned to eliminate duplicates Z: 23 34.055 2.127 0.483 0.894 1.000 0.818 CB 1.651 23 residues pruned to eliminate duplicates Z: 11 14.076 2.181 0.491 0.866 0.900 0.800 CB 1.114 11 residues pruned to eliminate duplicates Z: 50 49.140 2.212 1.063 0.552 0.939 0.735 CB 1.558 40 residues pruned to eliminate duplicates Z: 72 57.874 2.320 0.928 0.549 0.901 0.662 CB 1.624 72 residues pruned to eliminate duplicates Z: 106 61.612 2.194 0.839 0.578 0.943 0.648 CB 1.466 89 residues pruned to eliminate duplicates Z: 48 48.692 2.279 0.692 0.665 0.915 0.809 CB 1.728 48 residues pruned to eliminate duplicates Z: 21 40.563 2.193 0.780 0.905 1.000 0.900 CB 1.654 21 residues pruned to eliminate duplicates Z: 20 50.541 2.559 0.783 0.922 1.000 0.842 CB 1.787 20 residues pruned to eliminate duplicates Z: 40 39.242 2.296 0.901 0.504 0.897 0.692 CB 1.597 40 residues pruned to eliminate duplicates Z: 23 35.841 2.080 0.629 0.893 1.000 0.773 CB 1.619 23 residues pruned to eliminate duplicates Z: 74 63.861 2.291 0.915 0.626 0.959 0.753 CB 1.578 74 residues pruned to eliminate duplicates Z: 21 64.000 2.560 1.198 0.960 1.000 0.750 CB 1.742 21 residues pruned to eliminate duplicates Z: 66 39.237 2.097 0.894 0.530 0.908 0.631 CB 1.312 66 residues pruned to eliminate duplicates Z: 28 34.654 2.207 0.566 0.710 0.963 0.815 CB 1.656 28 residues pruned to eliminate duplicates Z: 21 54.770 2.475 1.047 0.938 1.000 0.900 CB 1.681 21 residues pruned to eliminate duplicates Z: 22 43.738 2.387 0.732 0.939 1.000 0.952 CB 1.604 22 residues pruned to eliminate duplicates Z: 22 42.634 2.404 0.674 0.935 1.000 0.905 CB 1.611 22 residues pruned to eliminate duplicates Z: 40 41.275 2.229 1.032 0.521 0.974 0.615 CB 1.467 40 residues pruned to eliminate duplicates Z: 22 47.511 2.357 0.953 0.947 0.952 0.667 CB 1.634 22 residues pruned to eliminate duplicates Z: 42 38.367 2.176 0.931 0.533 0.927 0.659 CB 1.489 42 residues pruned to eliminate duplicates Z: 113 73.216 2.308 0.898 0.564 0.929 0.679 CB 1.599 113 residues pruned to eliminate duplicates Z: 21 56.664 2.472 1.085 0.954 1.000 0.850 CB 1.691 21 residues pruned to eliminate duplicates Z: 22 56.082 2.410 1.179 0.942 1.000 0.810 CB 1.616 22 residues pruned to eliminate duplicates Z: 77 64.328 2.349 0.994 0.579 0.908 0.658 CB 1.609 77 residues pruned to eliminate duplicates Z: 38 38.783 2.194 1.029 0.562 0.892 0.649 CB 1.513 38 residues pruned to eliminate duplicates Z: 22 33.229 2.145 0.488 0.888 1.000 0.810 CB 1.637 22 residues pruned to eliminate duplicates Z: 46 58.073 2.339 0.744 0.720 0.956 0.844 CB 1.820 46 residues pruned to eliminate duplicates Z: 24 27.914 2.212 1.004 0.517 0.913 0.783 CB 1.414 24 residues pruned to eliminate duplicates Z: 132 94.828 2.381 0.910 0.627 0.954 0.763 CB 1.694 132 residues pruned to eliminate duplicates Z: 65 43.241 2.166 0.862 0.521 0.922 0.688 CB 1.424 64 residues pruned to eliminate duplicates Z: 30 37.896 2.223 1.019 0.522 0.966 0.690 CB 1.590 30 residues pruned to eliminate duplicates Z: 106 68.700 2.217 0.867 0.594 0.962 0.648 CB 1.539 107 residues pruned to eliminate duplicates Z: 22 51.299 2.368 1.069 0.907 1.000 0.857 CB 1.624 22 residues pruned to eliminate duplicates Z: 157 102.087 2.400 0.879 0.617 0.929 0.673 CB 1.746 275 residues pruned to eliminate duplicates Z: 45 55.858 2.399 1.031 0.636 0.909 0.773 CB 1.673 45 residues pruned to eliminate duplicates Z: 106 62.341 2.208 0.865 0.569 0.924 0.657 CB 1.497 102 residues pruned to eliminate duplicates Z: 152 102.896 2.397 0.939 0.615 0.940 0.722 CB 1.718 152 residues pruned to eliminate duplicates Z: 21 58.811 2.471 1.159 0.954 1.000 0.900 CB 1.696 21 residues pruned to eliminate duplicates Z: 67 65.404 2.375 0.964 0.595 0.955 0.621 CB 1.651 67 residues pruned to eliminate duplicates Z: 24 28.070 2.213 0.787 0.487 0.957 0.478 CB 1.567 24 residues pruned to eliminate duplicates Z: 93 72.129 2.386 0.856 0.565 0.935 0.652 CB 1.706 93 residues pruned to eliminate duplicates Z: 21 56.720 2.475 1.075 0.942 1.000 0.750 CB 1.713 21 residues pruned to eliminate duplicates Z: 13 34.401 2.392 0.865 0.689 1.000 0.917 CA 1.872 13 residues pruned to eliminate duplicates Z: 75 61.936 2.311 0.871 0.598 0.919 0.743 CB 1.650 72 residues pruned to eliminate duplicates Z: 68 74.614 2.446 1.121 0.618 0.940 0.716 CB 1.672 68 residues pruned to eliminate duplicates Z: 21 60.631 2.415 1.270 0.938 1.000 0.750 CB 1.720 21 residues pruned to eliminate duplicates Z: 128 102.981 2.436 0.977 0.634 0.953 0.732 CB 1.756 131 residues pruned to eliminate duplicates Z: 57 55.234 2.318 1.100 0.526 0.946 0.714 CB 1.561 Z: 20 50.647 2.404 0.758 0.934 1.000 1.000 CA 1.918 20 residues pruned to eliminate duplicates Z: 23 37.089 2.100 0.664 0.922 0.955 0.818 CB 1.667 23 residues pruned to eliminate duplicates Z: 60 47.514 2.296 0.955 0.477 0.915 0.627 CB 1.541 60 residues pruned to eliminate duplicates Z: 75 64.952 2.320 0.866 0.614 0.919 0.770 CB 1.704 73 residues pruned to eliminate duplicates Z: 64 47.834 2.187 1.010 0.556 0.921 0.667 CB 1.410 64 residues pruned to eliminate duplicates Z: 152 97.175 2.386 0.894 0.614 0.934 0.702 CB 1.682 152 residues pruned to eliminate duplicates Z: 68 56.265 2.311 0.959 0.580 0.866 0.627 CB 1.624 68 residues pruned to eliminate duplicates Z: 29 32.731 2.135 0.664 0.687 0.929 0.714 CB 1.579 29 residues pruned to eliminate duplicates Z: 17 28.360 2.079 0.636 0.896 1.000 0.875 CB 1.494 17 residues pruned to eliminate duplicates Z: 21 52.900 2.461 1.035 0.953 0.950 0.850 CB 1.711 21 residues pruned to eliminate duplicates Z: 26 32.947 2.181 0.874 0.524 0.960 0.640 CB 1.639 26 residues pruned to eliminate duplicates Z: 77 77.269 2.450 1.060 0.608 0.934 0.697 CB 1.697 77 residues pruned to eliminate duplicates Z: 48 52.384 2.308 0.722 0.674 0.936 0.745 CB 1.749 50 residues pruned to eliminate duplicates Z: 22 32.806 2.312 0.466 0.948 0.952 0.857 CB 1.532 22 residues pruned to eliminate duplicates Z: 8 14.253 1.927 0.633 0.829 1.000 0.429 CA 1.288 8 residues pruned to eliminate duplicates Z: 17 28.520 2.265 0.865 0.454 1.000 0.562 CB 1.770 17 residues pruned to eliminate duplicates Z: 65 38.928 2.136 0.824 0.496 0.891 0.672 CB 1.408 65 residues pruned to eliminate duplicates Z: 154 101.965 2.374 0.968 0.628 0.928 0.686 CB 1.686 154 residues pruned to eliminate duplicates Z: 72 69.181 2.337 1.004 0.632 0.972 0.676 CB 1.594 72 residues pruned to eliminate duplicates Z: 108 59.850 2.179 0.792 0.566 0.925 0.645 CB 1.502 108 residues pruned to eliminate duplicates Z: 21 51.610 2.414 0.890 0.949 1.000 0.950 CB 1.746 21 residues pruned to eliminate duplicates Z: 16 30.284 2.103 0.809 0.890 1.000 0.800 CB 1.478 16 residues pruned to eliminate duplicates Z: 51 49.151 2.183 0.648 0.677 0.940 0.780 CB 1.746 51 residues pruned to eliminate duplicates Z: 32 56.742 2.407 1.014 0.740 1.000 0.839 CB 1.695 32 residues pruned to eliminate duplicates Z: 8 11.818 1.969 0.600 0.811 0.857 0.571 CA 1.262 8 residues pruned to eliminate duplicates Z: 21 48.808 2.520 0.708 0.951 1.000 0.950 CB 1.747 Z: 17 27.810 2.094 0.528 0.906 1.000 0.750 CB 1.544 17 residues pruned to eliminate duplicates Z: 24 24.929 2.074 0.813 0.517 0.913 0.609 CB 1.489 24 residues pruned to eliminate duplicates Z: 100 73.537 2.336 1.031 0.555 0.929 0.687 CB 1.589 178 residues pruned to eliminate duplicates Z: 24 34.265 2.224 0.773 0.585 0.957 0.739 CB 1.747 24 residues pruned to eliminate duplicates Z: 58 49.602 2.335 0.983 0.480 0.912 0.596 CB 1.587 Z: 6 3.443 1.812 0.449 0.472 0.600 0.600 CA 1.006 6 residues pruned to eliminate duplicates Z: 26 30.739 2.203 0.864 0.523 0.920 0.560 CB 1.591 26 residues pruned to eliminate duplicates Z: 53 56.389 2.439 1.118 0.549 0.904 0.750 CB 1.597 53 residues pruned to eliminate duplicates Z: 127 98.769 2.444 0.946 0.629 0.937 0.706 CB 1.750 127 residues pruned to eliminate duplicates Z: 17 51.744 2.646 0.606 0.937 1.000 1.000 CB 2.119 Z: 21 44.072 2.519 0.639 0.921 1.000 0.950 CB 1.679 21 residues pruned to eliminate duplicates Z: 9 26.700 2.304 1.065 0.534 1.000 0.375 CA 1.919 9 residues pruned to eliminate duplicates Z: 27 19.305 1.979 0.786 0.543 0.846 0.692 CB 1.214 27 residues pruned to eliminate duplicates Z: 18 17.920 1.906 0.543 0.578 1.000 0.647 CB 1.371 Z: 154 101.094 2.364 0.923 0.630 0.941 0.686 CB 1.690 152 residues pruned to eliminate duplicates Z: 23 29.781 2.069 0.365 0.895 1.000 0.818 CA 1.612 23 residues pruned to eliminate duplicates Z: 17 27.085 2.086 0.532 0.898 1.000 0.812 CB 1.515 17 residues pruned to eliminate duplicates Z: 23 31.657 2.136 0.445 0.904 0.955 0.864 CA 1.631 23 residues pruned to eliminate duplicates Z: 21 66.075 2.468 1.488 0.946 1.000 0.650 CB 1.663 17 residues pruned to eliminate duplicates Z: 62 51.556 2.278 1.018 0.503 0.918 0.623 CB 1.559 58 residues pruned to eliminate duplicates Z: 20 50.970 2.590 0.742 0.926 1.000 0.895 CB 1.817 20 residues pruned to eliminate duplicates Z: 25 30.039 2.198 0.786 0.509 0.958 0.667 CB 1.615 25 residues pruned to eliminate duplicates Z: 22 47.887 2.356 1.002 0.942 0.952 0.905 CB 1.613 22 residues pruned to eliminate duplicates Z: 16 25.072 2.321 1.020 0.521 0.867 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 22 38.956 2.355 0.913 0.892 0.905 0.810 CB 1.498 22 residues pruned to eliminate duplicates Z: 51 62.604 2.488 1.119 0.524 0.940 0.620 CB 1.745 51 residues pruned to eliminate duplicates Z: 41 38.360 2.235 0.934 0.528 0.900 0.675 CB 1.517 41 residues pruned to eliminate duplicates Z: 84 78.377 2.377 0.969 0.639 0.940 0.771 CB 1.717 84 residues pruned to eliminate duplicates Z: 21 56.729 2.547 1.050 0.936 1.000 0.800 CB 1.692 21 residues pruned to eliminate duplicates Z: 85 69.182 2.359 0.837 0.600 0.929 0.667 CB 1.705 85 residues pruned to eliminate duplicates Z: 18 24.092 1.945 0.985 0.498 1.000 0.706 CA 1.516 11 residues pruned to eliminate duplicates Z: 84 70.341 2.353 0.870 0.645 0.916 0.747 CB 1.674 84 residues pruned to eliminate duplicates Z: 152 102.006 2.398 0.909 0.616 0.947 0.715 CB 1.716 152 residues pruned to eliminate duplicates Z: 23 30.373 2.105 0.356 0.911 1.000 0.909 CB 1.609 23 residues pruned to eliminate duplicates Z: 25 31.380 2.218 0.748 0.548 0.958 0.667 CB 1.646 25 residues pruned to eliminate duplicates Z: 16 21.089 1.954 0.931 0.636 0.867 0.733 CA 1.467 16 residues pruned to eliminate duplicates Z: 28 36.819 2.222 0.645 0.755 0.926 0.852 CB 1.668 28 residues pruned to eliminate duplicates Z: 158 94.355 2.344 0.934 0.605 0.917 0.701 CB 1.639 158 residues pruned to eliminate duplicates Z: 61 57.930 2.485 1.062 0.472 0.933 0.567 CB 1.609 61 residues pruned to eliminate duplicates Z: 111 77.012 2.318 0.971 0.550 0.945 0.673 CB 1.620 132 residues pruned to eliminate duplicates Z: 13 30.529 2.182 0.852 0.913 1.000 0.750 CB 1.544 13 residues pruned to eliminate duplicates Z: 84 73.877 2.425 0.975 0.584 0.916 0.747 CB 1.706 84 residues pruned to eliminate duplicates Z: 83 81.890 2.438 1.124 0.598 0.939 0.659 CB 1.694 83 residues pruned to eliminate duplicates Z: 15 27.419 2.199 0.507 0.860 1.000 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 43 38.508 2.122 0.655 0.637 0.952 0.690 CB 1.563 45 residues pruned to eliminate duplicates Z: 55 57.089 2.384 1.043 0.534 0.907 0.704 CB 1.700 55 residues pruned to eliminate duplicates Z: 6 14.188 2.199 0.451 0.830 1.000 0.800 CA 1.495 6 residues pruned to eliminate duplicates Z: 19 17.360 1.859 0.552 0.537 1.000 0.556 CB 1.366 18 residues pruned to eliminate duplicates Z: 7 8.080 1.614 0.346 0.775 1.000 0.833 CB 1.191 7 residues pruned to eliminate duplicates Z: 31 36.966 2.286 0.904 0.574 0.933 0.633 CB 1.547 31 residues pruned to eliminate duplicates Z: 21 52.665 2.436 1.163 0.954 0.950 0.750 CB 1.618 21 residues pruned to eliminate duplicates Z: 20 34.785 2.370 0.959 0.556 0.895 0.632 CB 1.820 20 residues pruned to eliminate duplicates Z: 68 52.747 2.272 1.038 0.510 0.881 0.642 CB 1.564 68 residues pruned to eliminate duplicates Z: 18 17.030 1.920 0.577 0.524 0.882 0.588 CB 1.509 19 residues pruned to eliminate duplicates Z: 21 57.664 2.393 1.132 0.942 1.000 0.750 CB 1.753 21 residues pruned to eliminate duplicates Z: 42 23.626 1.879 0.650 0.582 0.927 0.439 CB 1.187 27 residues pruned to eliminate duplicates Z: 22 29.074 2.127 0.304 0.927 1.000 1.000 CB 1.603 22 residues pruned to eliminate duplicates Z: 22 35.115 2.154 0.728 0.907 0.905 0.857 CB 1.618 22 residues pruned to eliminate duplicates Z: 26 30.114 2.217 0.663 0.531 0.920 0.640 CB 1.722 26 residues pruned to eliminate duplicates Z: 29 32.540 2.138 0.637 0.723 0.929 0.821 CB 1.547 29 residues pruned to eliminate duplicates Z: 59 55.781 2.370 0.983 0.585 0.914 0.655 CB 1.572 35 residues pruned to eliminate duplicates Z: 17 14.863 1.666 0.419 0.889 0.938 0.562 CB 1.207 17 residues pruned to eliminate duplicates Z: 19 60.250 2.595 0.953 0.911 1.000 0.778 CB 1.985 19 residues pruned to eliminate duplicates Z: 21 58.266 2.465 1.271 0.955 0.950 0.850 CB 1.683 21 residues pruned to eliminate duplicates Z: 85 76.716 2.386 0.910 0.629 0.940 0.726 CB 1.729 85 residues pruned to eliminate duplicates Z: 132 94.114 2.386 0.876 0.620 0.947 0.718 CB 1.732 132 residues pruned to eliminate duplicates Z: 16 29.435 2.112 0.727 0.889 1.000 0.800 CB 1.500 16 residues pruned to eliminate duplicates Z: 39 39.615 2.165 0.870 0.576 1.000 0.763 CB 1.476 39 residues pruned to eliminate duplicates Z: 18 26.004 1.980 0.537 0.877 1.000 0.824 CB 1.506 18 residues pruned to eliminate duplicates Z: 33 25.991 1.993 0.837 0.540 0.938 0.688 CB 1.288 33 residues pruned to eliminate duplicates Z: 133 88.903 2.360 1.085 0.562 0.932 0.644 CB 1.589 133 residues pruned to eliminate duplicates Z: 47 45.870 2.285 0.967 0.551 0.913 0.696 CB 1.568 47 residues pruned to eliminate duplicates Z: 128 96.190 2.428 0.926 0.614 0.945 0.748 CB 1.734 128 residues pruned to eliminate duplicates Z: 43 48.793 2.439 0.930 0.533 0.929 0.667 CB 1.668 43 residues pruned to eliminate duplicates Z: 17 13.327 1.660 0.337 0.867 0.938 0.375 CB 1.172 17 residues pruned to eliminate duplicates Z: 12 39.905 2.371 1.091 0.912 0.909 0.909 CA 1.890 12 residues pruned to eliminate duplicates Z: 109 82.884 2.402 0.978 0.597 0.926 0.713 CB 1.652 109 residues pruned to eliminate duplicates Z: 52 54.852 2.356 0.668 0.662 0.941 0.824 CB 1.786 52 residues pruned to eliminate duplicates Z: 120 79.313 2.297 1.015 0.563 0.924 0.647 CB 1.599 120 residues pruned to eliminate duplicates Z: 17 21.119 1.942 0.948 0.500 0.875 0.688 CA 1.595 17 residues pruned to eliminate duplicates Z: 29 32.325 2.157 0.585 0.687 0.929 0.786 CB 1.621 29 residues pruned to eliminate duplicates Z: 50 42.673 2.270 0.885 0.519 0.918 0.612 CB 1.522 50 residues pruned to eliminate duplicates Z: 22 39.050 2.225 0.629 0.921 1.000 0.905 CB 1.655 22 residues pruned to eliminate duplicates Z: 7 8.287 1.912 0.946 0.632 0.833 0.667 CB 0.964 Z: 17 35.444 2.309 1.111 0.620 0.938 0.750 CA 1.732 17 residues pruned to eliminate duplicates Z: 97 82.272 2.413 0.922 0.613 0.927 0.740 CB 1.754 97 residues pruned to eliminate duplicates Z: 153 98.436 2.381 0.930 0.608 0.914 0.711 CB 1.715 153 residues pruned to eliminate duplicates Z: 16 21.134 2.089 0.793 0.571 0.867 0.600 CB 1.569 16 residues pruned to eliminate duplicates Z: 34 31.279 2.119 0.803 0.540 0.939 0.667 CB 1.458 33 residues pruned to eliminate duplicates Z: 26 19.134 1.989 0.756 0.436 0.800 0.520 CB 1.462 26 residues pruned to eliminate duplicates Z: 18 19.450 1.925 0.581 0.589 1.000 0.647 CB 1.424 18 residues pruned to eliminate duplicates Z: 17 14.533 1.693 0.373 0.893 0.938 0.812 CB 1.197 17 residues pruned to eliminate duplicates Z: 27 33.265 2.217 0.541 0.720 0.923 0.808 CB 1.696 27 residues pruned to eliminate duplicates Z: 9 12.758 1.640 0.690 0.810 1.000 0.625 N 1.242 Z: 8 14.448 1.689 0.741 0.876 1.000 0.714 CA 1.349 9 residues pruned to eliminate duplicates Z: 17 23.458 2.044 0.524 0.893 1.000 0.875 CB 1.351 17 residues pruned to eliminate duplicates Z: 27 20.041 1.957 0.772 0.347 0.846 0.615 CA 1.580 27 residues pruned to eliminate duplicates Z: 90 62.960 2.274 0.893 0.540 0.944 0.618 CB 1.579 90 residues pruned to eliminate duplicates Z: 102 78.351 2.349 1.010 0.576 0.941 0.644 CB 1.632 102 residues pruned to eliminate duplicates Z: 50 39.952 2.142 0.914 0.568 0.918 0.694 CB 1.419 50 residues pruned to eliminate duplicates Z: 76 49.559 2.173 0.836 0.534 0.947 0.667 CB 1.466 76 residues pruned to eliminate duplicates Z: 22 52.645 2.324 1.233 0.936 1.000 0.857 CB 1.541 22 residues pruned to eliminate duplicates Z: 76 77.661 2.395 0.945 0.643 0.947 0.773 CB 1.780 78 residues pruned to eliminate duplicates Z: 17 13.538 1.693 0.276 0.878 0.938 0.875 CB 1.213 17 residues pruned to eliminate duplicates Z: 6 7.151 1.690 0.631 0.588 0.800 0.800 CA 1.332 6 residues pruned to eliminate duplicates Z: 31 48.021 2.314 0.883 0.770 0.967 0.767 CB 1.638 31 residues pruned to eliminate duplicates Z: 59 48.202 2.238 0.913 0.509 0.948 0.655 CB 1.545 59 residues pruned to eliminate duplicates Z: 47 47.155 2.340 1.031 0.557 0.913 0.652 CB 1.515 47 residues pruned to eliminate duplicates Z: 13 6.596 1.745 -0.045 0.619 0.917 0.583 CB 1.114 Z: 32 41.201 2.294 1.060 0.559 0.968 0.710 CB 1.528 32 residues pruned to eliminate duplicates Z: 24 27.031 2.113 0.781 0.572 0.913 0.652 CB 1.531 24 residues pruned to eliminate duplicates Z: 21 38.174 2.179 0.700 0.915 1.000 0.850 CB 1.628 21 residues pruned to eliminate duplicates Z: 71 50.988 2.229 1.030 0.493 0.886 0.643 CB 1.532 71 residues pruned to eliminate duplicates Z: 40 46.845 2.247 0.936 0.630 0.923 0.590 CB 1.654 40 residues pruned to eliminate duplicates Z: 6 6.714 1.734 0.104 0.767 1.000 1.000 CB 1.238 6 residues pruned to eliminate duplicates Z: 20 25.010 1.938 1.146 0.484 0.895 0.684 CA 1.566 20 residues pruned to eliminate duplicates Z: 6 3.991 1.652 0.395 0.402 0.800 0.600 N 1.074 Z: 47 47.027 2.261 0.941 0.531 0.957 0.674 CB 1.602 47 residues pruned to eliminate duplicates Z: 120 83.053 2.303 1.044 0.584 0.916 0.681 CB 1.628 121 residues pruned to eliminate duplicates Z: 26 30.731 2.197 0.677 0.552 1.000 0.760 CB 1.587 26 residues pruned to eliminate duplicates Z: 100 83.237 2.365 1.037 0.594 0.960 0.727 CB 1.653 100 residues pruned to eliminate duplicates Z: 9 4.622 1.722 0.031 0.400 0.875 0.625 CB 1.167 9 residues pruned to eliminate duplicates Z: 23 36.416 2.089 0.760 0.890 0.955 0.864 CA 1.591 23 residues pruned to eliminate duplicates Z: 16 15.169 1.698 0.455 0.895 0.933 0.733 CB 1.217 15 residues pruned to eliminate duplicates Z: 52 35.398 2.112 0.779 0.491 0.941 0.608 CB 1.414 52 residues pruned to eliminate duplicates Z: 17 24.423 2.028 0.481 0.897 1.000 0.938 CB 1.456 17 residues pruned to eliminate duplicates Z: 31 27.002 2.044 0.764 0.582 0.967 0.700 CB 1.308 31 residues pruned to eliminate duplicates Z: 17 23.149 2.039 0.402 0.893 1.000 0.938 CB 1.452 17 residues pruned to eliminate duplicates Z: 56 60.699 2.322 0.969 0.626 0.982 0.618 CB 1.618 57 residues pruned to eliminate duplicates Z: 155 99.530 2.348 0.952 0.614 0.942 0.721 CB 1.668 155 residues pruned to eliminate duplicates Z: 23 25.605 2.165 0.604 0.557 0.955 0.636 CB 1.558 23 residues pruned to eliminate duplicates Z: 53 35.861 2.086 0.916 0.514 0.904 0.615 CB 1.357 53 residues pruned to eliminate duplicates Z: 75 73.031 2.422 1.075 0.589 0.946 0.703 CB 1.640 75 residues pruned to eliminate duplicates Z: 28 37.347 2.200 0.634 0.745 1.000 0.741 CB 1.606 28 residues pruned to eliminate duplicates Z: 7 9.284 1.876 0.554 0.728 0.833 0.667 CA 1.271 7 residues pruned to eliminate duplicates Z: 82 47.054 2.188 0.823 0.514 0.864 0.630 CB 1.496 82 residues pruned to eliminate duplicates Z: 81 70.794 2.327 1.070 0.619 0.938 0.713 CB 1.566 81 residues pruned to eliminate duplicates Z: 42 32.623 2.146 0.787 0.484 0.878 0.585 CB 1.537 42 residues pruned to eliminate duplicates Z: 22 21.477 2.299 0.662 0.384 0.857 0.333 CB 1.619 22 residues pruned to eliminate duplicates Z: 109 60.708 2.175 0.868 0.575 0.926 0.639 CB 1.444 109 residues pruned to eliminate duplicates Z: 22 22.516 1.980 0.756 0.665 0.905 0.762 CB 1.341 22 residues pruned to eliminate duplicates Z: 69 73.814 2.388 0.874 0.682 0.956 0.824 CB 1.771 69 residues pruned to eliminate duplicates Z: 9 10.931 1.490 0.851 0.796 0.875 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 21 22.904 1.798 0.875 0.525 1.000 0.750 CB 1.481 21 residues pruned to eliminate duplicates Z: 97 78.615 2.396 0.833 0.609 0.938 0.740 CB 1.756 97 residues pruned to eliminate duplicates Z: 22 29.732 2.199 0.232 0.923 1.000 0.952 CA 1.682 22 residues pruned to eliminate duplicates Z: 101 80.177 2.380 1.044 0.568 0.930 0.650 CB 1.660 101 residues pruned to eliminate duplicates Z: 34 25.510 2.002 0.849 0.507 0.939 0.576 CB 1.269 34 residues pruned to eliminate duplicates Z: 6 7.289 1.718 0.256 0.751 1.000 0.800 CB 1.208 6 residues pruned to eliminate duplicates Z: 92 48.428 2.153 0.776 0.488 0.923 0.637 CB 1.455 92 residues pruned to eliminate duplicates Z: 17 22.881 2.071 0.302 0.877 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 64 40.839 2.157 0.839 0.505 0.921 0.635 CB 1.402 64 residues pruned to eliminate duplicates Z: 75 54.180 2.298 0.791 0.579 0.878 0.662 CB 1.614 75 residues pruned to eliminate duplicates Z: 71 40.351 2.004 0.731 0.611 0.943 0.643 CB 1.327 71 residues pruned to eliminate duplicates Z: 20 60.138 2.444 1.193 0.942 0.947 0.842 CB 1.885 20 residues pruned to eliminate duplicates Z: 65 59.990 2.368 0.825 0.608 0.953 0.734 CB 1.643 65 residues pruned to eliminate duplicates Z: 22 37.926 2.193 0.584 0.913 1.000 0.952 CB 1.685 22 residues pruned to eliminate duplicates Z: 16 13.704 1.697 0.286 0.887 1.000 0.867 CB 1.169 16 residues pruned to eliminate duplicates Z: 83 68.883 2.366 0.980 0.571 0.951 0.671 CB 1.595 83 residues pruned to eliminate duplicates Z: 22 26.986 2.147 0.820 0.560 0.905 0.714 CB 1.572 22 residues pruned to eliminate duplicates Z: 14 13.335 2.009 0.588 0.631 0.923 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 33 50.642 2.391 1.108 0.734 0.938 0.812 CB 1.535 33 residues pruned to eliminate duplicates Z: 110 78.383 2.400 0.917 0.583 0.936 0.697 CB 1.610 110 residues pruned to eliminate duplicates Z: 152 100.308 2.376 0.903 0.632 0.940 0.695 CB 1.696 152 residues pruned to eliminate duplicates Z: 13 26.891 2.002 0.859 0.922 1.000 0.750 CB 1.466 13 residues pruned to eliminate duplicates Z: 25 30.413 2.195 0.756 0.532 1.000 0.583 CB 1.561 25 residues pruned to eliminate duplicates Z: 62 56.324 2.310 0.913 0.617 0.934 0.754 CB 1.564 62 residues pruned to eliminate duplicates Z: 18 20.950 2.180 0.638 0.443 0.941 0.588 CB 1.604 18 residues pruned to eliminate duplicates Z: 22 36.569 2.168 0.545 0.922 1.000 0.857 CB 1.676 22 residues pruned to eliminate duplicates Z: 29 34.814 2.118 0.552 0.739 1.000 0.821 CB 1.615 29 residues pruned to eliminate duplicates Z: 9 5.910 1.917 0.812 0.630 0.875 0.875 CB 0.608 6 residues pruned to eliminate duplicates Z: 7 10.643 2.153 1.146 0.861 1.000 1.000 CB 0.691 9 residues pruned to eliminate duplicates Z: 66 44.572 2.166 0.941 0.573 0.892 0.646 CB 1.374 66 residues pruned to eliminate duplicates Z: 17 26.905 1.995 0.733 0.916 1.000 0.875 CB 1.374 17 residues pruned to eliminate duplicates Z: 17 18.487 2.034 0.154 0.888 1.000 0.750 CB 1.419 17 residues pruned to eliminate duplicates Z: 17 12.905 1.684 0.183 0.869 1.000 0.812 CB 1.183 17 residues pruned to eliminate duplicates Z: 8 4.656 1.749 0.124 0.472 0.714 0.571 CB 1.289 Z: 13 25.454 2.184 1.013 0.642 0.917 0.833 CA 1.596 13 residues pruned to eliminate duplicates Z: 7 11.228 1.771 0.948 0.631 0.833 0.833 CA 1.410 7 residues pruned to eliminate duplicates Z: 12 14.464 1.936 0.514 0.697 1.000 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 69 62.826 2.326 1.022 0.587 0.912 0.632 CB 1.635 69 residues pruned to eliminate duplicates Z: 19 16.463 1.865 0.492 0.544 0.944 0.500 CB 1.414 19 residues pruned to eliminate duplicates Z: 28 29.930 2.220 0.993 0.506 0.852 0.778 CB 1.519 28 residues pruned to eliminate duplicates Z: 51 38.352 2.108 0.873 0.547 0.940 0.680 CB 1.395 51 residues pruned to eliminate duplicates Z: 34 21.866 1.915 0.752 0.528 0.879 0.576 CB 1.257 34 residues pruned to eliminate duplicates Z: 46 39.223 2.177 0.869 0.576 0.933 0.733 CB 1.431 46 residues pruned to eliminate duplicates Z: 14 16.995 2.057 0.791 0.565 0.923 0.692 CB 1.302 14 residues pruned to eliminate duplicates Z: 83 71.549 2.359 1.034 0.582 0.939 0.732 CB 1.621 83 residues pruned to eliminate duplicates Z: 6 11.787 1.914 0.521 0.765 1.000 0.800 CA 1.431 6 residues pruned to eliminate duplicates Z: 100 79.039 2.400 0.928 0.591 0.929 0.707 CB 1.693 100 residues pruned to eliminate duplicates Z: 32 35.182 2.183 1.029 0.560 0.903 0.742 CB 1.490 32 residues pruned to eliminate duplicates Z: 64 61.025 2.327 1.093 0.613 0.889 0.730 CB 1.596 64 residues pruned to eliminate duplicates Z: 132 91.319 2.393 1.025 0.575 0.931 0.702 CB 1.645 132 residues pruned to eliminate duplicates Z: 18 16.604 1.917 0.437 0.572 0.941 0.588 CB 1.449 18 residues pruned to eliminate duplicates Z: 22 49.328 2.298 1.246 0.909 1.000 0.571 CB 1.481 22 residues pruned to eliminate duplicates Z: 153 99.538 2.376 0.865 0.629 0.941 0.678 CB 1.716 153 residues pruned to eliminate duplicates Z: 20 21.940 2.086 0.848 0.509 0.947 0.579 CB 1.366 20 residues pruned to eliminate duplicates Z: 112 68.101 2.293 0.851 0.537 0.937 0.667 CB 1.568 112 residues pruned to eliminate duplicates Z: 16 23.725 2.099 0.949 0.627 0.933 0.800 CB 1.423 16 residues pruned to eliminate duplicates Z: 14 6.130 1.723 0.112 0.566 0.923 0.769 CB 0.902 14 residues pruned to eliminate duplicates Z: 7 5.232 1.823 -0.129 0.483 1.000 0.667 O 1.369 6 residues pruned to eliminate duplicates Z: 79 63.405 2.336 0.991 0.581 0.897 0.667 CB 1.591 79 residues pruned to eliminate duplicates Z: 20 29.631 2.437 0.824 0.451 0.895 0.579 CB 1.797 20 residues pruned to eliminate duplicates Z: 8 4.040 1.882 0.270 0.270 0.714 0.429 CB 1.161 Z: 25 37.385 2.069 0.730 0.859 0.958 0.833 CA 1.638 25 residues pruned to eliminate duplicates Z: 21 21.855 1.804 1.031 0.502 0.950 0.650 CB 1.401 21 residues pruned to eliminate duplicates Z: 11 7.297 1.758 0.681 0.427 0.800 0.700 CB 1.053 10 residues pruned to eliminate duplicates Z: 58 50.437 2.221 0.929 0.623 0.912 0.702 CB 1.522 58 residues pruned to eliminate duplicates Z: 28 36.092 2.199 0.599 0.711 1.000 0.815 CB 1.632 28 residues pruned to eliminate duplicates Z: 18 19.735 1.899 0.826 0.516 0.941 0.647 CA 1.445 18 residues pruned to eliminate duplicates Z: 154 95.977 2.331 0.934 0.630 0.941 0.712 CB 1.619 154 residues pruned to eliminate duplicates Z: 27 30.599 2.165 0.872 0.496 0.885 0.577 CB 1.680 27 residues pruned to eliminate duplicates Z: 11 5.226 1.567 0.243 0.479 0.800 0.400 CB 1.084 11 residues pruned to eliminate duplicates Z: 18 26.678 2.038 0.688 0.824 0.941 0.765 CB 1.509 18 residues pruned to eliminate duplicates Z: 152 100.045 2.377 0.917 0.613 0.940 0.722 CB 1.707 152 residues pruned to eliminate duplicates Z: 17 14.325 1.683 0.330 0.869 1.000 0.625 CB 1.168 17 residues pruned to eliminate duplicates Z: 103 86.552 2.437 1.000 0.583 0.931 0.745 CB 1.743 103 residues pruned to eliminate duplicates Z: 19 18.093 1.824 0.631 0.548 1.000 0.500 CB 1.367 19 residues pruned to eliminate duplicates Z: 12 15.750 2.117 0.638 0.570 0.818 0.727 CB 1.565 12 residues pruned to eliminate duplicates Z: 93 77.169 2.362 0.985 0.596 0.935 0.707 CB 1.675 93 residues pruned to eliminate duplicates Z: 106 60.929 2.194 0.873 0.541 0.933 0.600 CB 1.490 107 residues pruned to eliminate duplicates Z: 17 20.089 2.016 0.201 0.892 1.000 0.875 CB 1.490 17 residues pruned to eliminate duplicates Z: 16 14.362 1.732 0.263 0.889 1.000 0.800 CB 1.220 16 residues pruned to eliminate duplicates Z: 32 31.965 2.130 0.883 0.503 0.935 0.548 CB 1.526 32 residues pruned to eliminate duplicates Z: 35 41.235 2.312 0.769 0.551 0.941 0.765 CB 1.748 35 residues pruned to eliminate duplicates Z: 6 5.181 1.661 -0.083 0.813 1.000 0.800 CB 1.159 6 residues pruned to eliminate duplicates Z: 104 79.804 2.362 0.936 0.594 0.922 0.728 CB 1.704 103 residues pruned to eliminate duplicates Z: 41 30.360 2.151 0.717 0.533 0.900 0.600 CB 1.397 41 residues pruned to eliminate duplicates Z: 6 4.921 1.659 0.104 0.811 1.000 1.000 CB 0.916 6 residues pruned to eliminate duplicates Z: 108 76.589 2.399 0.923 0.557 0.916 0.682 CB 1.657 108 residues pruned to eliminate duplicates Z: 104 87.002 2.388 0.982 0.598 0.942 0.777 CB 1.751 104 residues pruned to eliminate duplicates Z: 28 33.469 2.171 0.644 0.680 0.963 0.852 CB 1.588 28 residues pruned to eliminate duplicates Z: 6 5.027 1.770 0.825 0.435 0.800 0.400 CB 0.931 Z: 84 86.388 2.393 1.035 0.654 0.976 0.807 CB 1.729 84 residues pruned to eliminate duplicates Z: 46 51.047 2.276 0.654 0.705 0.933 0.822 CB 1.797 46 residues pruned to eliminate duplicates Z: 10 12.951 2.083 0.315 0.568 0.889 0.778 C 1.661 10 residues pruned to eliminate duplicates Z: 11 10.336 1.940 0.722 0.320 0.900 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 7 4.278 1.640 0.141 0.466 1.000 0.667 CB 0.966 Z: 9 4.466 1.999 0.121 0.504 0.750 0.500 CB 0.936 8 residues pruned to eliminate duplicates Z: 24 26.051 2.115 0.643 0.571 0.957 0.565 CB 1.527 32 residues pruned to eliminate duplicates Z: 32 26.290 2.031 0.836 0.569 0.903 0.677 CB 1.312 32 residues pruned to eliminate duplicates Z: 29 35.882 2.111 0.658 0.725 1.000 0.857 CB 1.582 29 residues pruned to eliminate duplicates Z: 153 93.930 2.376 0.926 0.595 0.908 0.724 CB 1.674 153 residues pruned to eliminate duplicates Z: 33 45.643 2.245 0.640 0.757 0.969 0.844 CB 1.799 33 residues pruned to eliminate duplicates Z: 6 13.388 1.793 0.764 0.842 1.000 1.000 CA 1.410 Z: 26 21.940 2.011 0.810 0.555 0.920 0.640 CB 1.242 26 residues pruned to eliminate duplicates Z: 26 20.721 2.066 0.646 0.515 0.880 0.560 CB 1.364 26 residues pruned to eliminate duplicates Z: 59 46.265 2.261 0.846 0.491 0.914 0.655 CB 1.608 59 residues pruned to eliminate duplicates Z: 66 58.705 2.403 0.872 0.531 0.892 0.631 CB 1.761 66 residues pruned to eliminate duplicates Z: 102 75.658 2.361 0.901 0.574 0.950 0.653 CB 1.643 102 residues pruned to eliminate duplicates Z: 26 22.341 2.058 0.876 0.570 0.880 0.640 CB 1.229 26 residues pruned to eliminate duplicates Z: 23 34.753 2.125 0.543 0.907 1.000 0.864 CB 1.605 23 residues pruned to eliminate duplicates Z: 28 41.186 2.363 1.155 0.557 0.926 0.630 CB 1.591 28 residues pruned to eliminate duplicates Z: 7 10.717 1.983 0.904 0.702 0.833 0.833 CB 1.157 6 residues pruned to eliminate duplicates Z: 20 62.521 2.513 1.306 0.951 1.000 0.947 CB 1.706 25 residues pruned to eliminate duplicates 8 1.648 1.545 -0.006 0.321 0.571 0.571 N 0.864 ? Z: 64 41.078 2.164 0.818 0.502 0.921 0.603 CB 1.426 64 residues pruned to eliminate duplicates Z: 10 24.554 2.328 1.100 0.673 0.889 0.778 CB 1.605 10 residues pruned to eliminate duplicates Z: 34 30.148 2.208 0.836 0.539 0.909 0.697 CB 1.371 34 residues pruned to eliminate duplicates Z: 19 15.589 1.824 0.547 0.591 0.889 0.722 CB 1.342 19 residues pruned to eliminate duplicates Z: 31 35.168 2.270 0.976 0.523 0.933 0.767 CB 1.498 31 residues pruned to eliminate duplicates Z: 10 27.201 2.302 1.257 0.828 1.000 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 16 15.290 1.708 0.374 0.926 1.000 0.867 CB 1.179 16 residues pruned to eliminate duplicates Z: 8 5.153 1.903 0.361 0.573 0.857 0.714 N 0.817 Z: 6 2.768 1.559 0.075 0.211 0.800 0.800 O 1.300 Z: 27 36.938 2.241 0.544 0.708 1.000 0.885 CB 1.732 27 residues pruned to eliminate duplicates Z: 36 40.614 2.258 0.895 0.531 0.914 0.686 CB 1.702 36 residues pruned to eliminate duplicates Z: 18 22.350 1.937 0.352 0.902 1.000 0.824 CB 1.476 18 residues pruned to eliminate duplicates Z: 48 51.085 2.274 0.972 0.613 0.957 0.702 CB 1.560 48 residues pruned to eliminate duplicates Z: 7 6.403 1.584 0.440 0.544 0.833 0.667 CB 1.317 7 residues pruned to eliminate duplicates Z: 6 2.484 1.401 0.182 0.567 0.800 0.600 CB 0.786 Z: 66 60.650 2.288 1.020 0.598 0.938 0.692 CB 1.580 48 residues pruned to eliminate duplicates Z: 7 2.669 1.351 0.323 0.246 0.833 0.500 CB 0.980 7 residues pruned to eliminate duplicates Z: 66 63.684 2.359 0.977 0.619 0.938 0.662 CB 1.613 66 residues pruned to eliminate duplicates Z: 85 65.241 2.280 0.950 0.584 0.929 0.702 CB 1.591 85 residues pruned to eliminate duplicates Z: 15 16.480 2.199 0.347 0.462 0.929 0.714 CA 1.666 15 residues pruned to eliminate duplicates Z: 8 5.079 1.715 0.578 0.186 0.857 0.571 CB 1.206 8 residues pruned to eliminate duplicates Z: 18 15.834 1.874 0.833 0.525 0.882 0.647 CB 1.236 18 residues pruned to eliminate duplicates Z: 34 48.827 2.323 0.884 0.601 0.939 0.697 CB 1.877 34 residues pruned to eliminate duplicates Z: 14 14.423 2.034 0.970 0.611 0.846 0.769 CB 1.061 14 residues pruned to eliminate duplicates Z: 15 26.875 2.253 1.007 0.545 1.000 0.643 CB 1.521 15 residues pruned to eliminate duplicates Z: 14 17.821 1.902 0.814 0.526 1.000 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 6 2.107 1.594 -0.312 0.434 1.000 0.600 CA 0.920 6 residues pruned to eliminate duplicates Z: 64 41.330 2.158 0.880 0.529 0.889 0.730 CB 1.403 64 residues pruned to eliminate duplicates Z: 16 13.822 1.725 0.182 0.865 1.000 0.800 CB 1.282 16 residues pruned to eliminate duplicates Z: 7 15.215 2.060 0.796 0.873 1.000 0.833 CB 1.223 7 residues pruned to eliminate duplicates Z: 16 9.775 1.650 0.197 0.844 0.867 0.333 CB 1.097 16 residues pruned to eliminate duplicates Z: 21 37.762 2.355 1.012 0.602 0.950 0.700 CB 1.702 21 residues pruned to eliminate duplicates Z: 18 45.485 2.424 1.094 0.841 1.000 0.765 CB 1.621 18 residues pruned to eliminate duplicates Z: 59 49.138 2.264 0.970 0.489 0.966 0.621 CB 1.515 59 residues pruned to eliminate duplicates Z: 21 37.638 2.374 0.901 0.604 0.950 0.700 CB 1.779 21 residues pruned to eliminate duplicates Z: 20 66.413 2.595 1.229 0.930 1.000 0.789 CB 1.842 20 residues pruned to eliminate duplicates Z: 7 6.699 1.851 0.166 0.790 0.833 0.833 CA 1.178 7 residues pruned to eliminate duplicates Z: 15 21.478 2.001 0.824 0.508 1.000 0.643 CB 1.559 15 residues pruned to eliminate duplicates Z: 61 55.503 2.357 0.943 0.590 0.917 0.700 CB 1.565 61 residues pruned to eliminate duplicates Z: 37 28.882 2.019 0.900 0.518 0.917 0.556 CB 1.344 37 residues pruned to eliminate duplicates Z: 28 36.975 2.198 0.599 0.748 1.000 0.852 CB 1.622 28 residues pruned to eliminate duplicates Z: 86 41.211 2.022 0.662 0.572 0.929 0.635 CB 1.335 85 residues pruned to eliminate duplicates Z: 32 27.970 2.149 1.003 0.407 0.871 0.581 CB 1.477 32 residues pruned to eliminate duplicates Z: 83 68.341 2.368 0.955 0.578 0.939 0.683 CB 1.611 83 residues pruned to eliminate duplicates Z: 8 5.196 1.535 0.470 0.572 0.714 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 6 3.771 1.906 -0.228 0.631 1.000 0.600 CB 1.012 6 residues pruned to eliminate duplicates Z: 30 47.473 2.426 1.087 0.619 0.966 0.793 CB 1.612 30 residues pruned to eliminate duplicates Z: 43 38.823 2.210 0.896 0.571 0.929 0.667 CB 1.438 43 residues pruned to eliminate duplicates Z: 22 30.942 2.104 0.475 0.913 1.000 0.952 CB 1.540 22 residues pruned to eliminate duplicates Z: 9 9.273 1.660 0.850 0.532 1.000 0.750 CB 1.035 7 residues pruned to eliminate duplicates Z: 22 34.434 2.215 1.003 0.545 1.000 0.619 CB 1.621 22 residues pruned to eliminate duplicates Z: 16 11.112 1.711 0.058 0.894 0.933 0.600 CB 1.219 16 residues pruned to eliminate duplicates Z: 8 3.739 1.341 0.440 0.733 0.857 0.571 CB 0.692 Z: 46 42.796 2.204 0.974 0.592 0.911 0.711 CB 1.474 46 residues pruned to eliminate duplicates Z: 12 14.927 1.962 0.830 0.396 0.909 0.545 CA 1.539 12 residues pruned to eliminate duplicates Z: 60 66.019 2.429 1.076 0.618 0.932 0.661 CB 1.636 60 residues pruned to eliminate duplicates Z: 23 31.232 2.365 1.029 0.505 1.000 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 11 22.226 1.928 1.083 0.744 1.000 0.900 CA 1.407 11 residues pruned to eliminate duplicates Z: 25 23.844 2.006 0.714 0.529 0.917 0.583 CB 1.501 25 residues pruned to eliminate duplicates Z: 59 64.435 2.442 0.996 0.587 0.914 0.655 CB 1.747 59 residues pruned to eliminate duplicates Z: 38 29.406 2.097 0.820 0.472 0.892 0.730 CB 1.460 38 residues pruned to eliminate duplicates Z: 7 9.828 1.595 0.821 0.815 1.000 0.667 CA 1.051 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 2.350 1.612 0.372 0.090 0.571 0.286 CA 1.192 Z: 6 6.770 1.493 0.932 0.336 1.000 0.400 N 1.255 14 residues pruned to eliminate duplicates Z: 6 4.973 1.812 0.685 0.304 0.600 0.600 CA 1.509 6 residues pruned to eliminate duplicates Z: 53 45.709 2.331 0.952 0.505 0.904 0.615 CB 1.533 53 residues pruned to eliminate duplicates Z: 121 80.955 2.301 1.014 0.560 0.942 0.633 CB 1.598 121 residues pruned to eliminate duplicates Z: 33 43.797 2.312 1.095 0.521 0.938 0.656 CB 1.670 33 residues pruned to eliminate duplicates Z: 36 34.704 2.132 0.972 0.515 0.886 0.686 CB 1.553 36 residues pruned to eliminate duplicates Z: 111 78.434 2.338 0.964 0.552 0.955 0.645 CB 1.622 111 residues pruned to eliminate duplicates Z: 30 46.205 2.437 1.059 0.584 0.931 0.759 CB 1.695 30 residues pruned to eliminate duplicates Z: 46 45.387 2.234 1.009 0.548 0.911 0.756 CB 1.579 46 residues pruned to eliminate duplicates Z: 113 76.715 2.313 0.990 0.560 0.938 0.643 CB 1.586 113 residues pruned to eliminate duplicates Z: 111 81.659 2.346 1.047 0.567 0.945 0.664 CB 1.607 111 residues pruned to eliminate duplicates Z: 41 43.876 2.257 1.033 0.514 0.950 0.700 CB 1.570 41 residues pruned to eliminate duplicates Z: 19 18.856 1.983 0.777 0.511 0.889 0.722 CB 1.403 19 residues pruned to eliminate duplicates Z: 108 67.100 2.287 0.967 0.537 0.907 0.626 CB 1.533 108 residues pruned to eliminate duplicates Z: 62 46.145 2.246 0.886 0.470 0.918 0.590 CB 1.567 62 residues pruned to eliminate duplicates Z: 121 75.875 2.289 0.937 0.554 0.917 0.658 CB 1.617 145 residues pruned to eliminate duplicates Z: 6 4.414 1.474 0.675 0.274 1.000 0.400 CA 1.033 6 residues pruned to eliminate duplicates Z: 32 56.559 2.435 1.020 0.739 0.968 0.774 CB 1.723 32 residues pruned to eliminate duplicates Z: 152 103.050 2.392 0.951 0.615 0.940 0.722 CB 1.714 158 residues pruned to eliminate duplicates Z: 153 95.822 2.362 0.873 0.609 0.934 0.743 CB 1.695 153 residues pruned to eliminate duplicates Z: 18 33.097 2.510 0.992 0.442 0.941 0.588 CB 1.810 18 residues pruned to eliminate duplicates Z: 47 55.027 2.367 1.107 0.615 0.891 0.587 CB 1.637 47 residues pruned to eliminate duplicates Z: 99 81.470 2.401 1.061 0.588 0.918 0.684 CB 1.665 99 residues pruned to eliminate duplicates Z: 98 81.740 2.382 0.934 0.606 0.938 0.742 CB 1.736 98 residues pruned to eliminate duplicates Z: 154 97.880 2.376 0.934 0.614 0.915 0.725 CB 1.689 154 residues pruned to eliminate duplicates Z: 131 92.220 2.382 0.924 0.617 0.923 0.692 CB 1.711 131 residues pruned to eliminate duplicates Z: 96 89.348 2.425 0.995 0.624 0.947 0.737 CB 1.779 96 residues pruned to eliminate duplicates Z: 152 101.514 2.397 0.950 0.616 0.927 0.742 CB 1.709 152 residues pruned to eliminate duplicates Z: 130 98.217 2.401 0.974 0.641 0.938 0.729 CB 1.705 130 residues pruned to eliminate duplicates Z: 61 67.016 2.505 1.100 0.513 0.933 0.650 CB 1.741 61 residues pruned to eliminate duplicates Z: 151 104.453 2.409 0.936 0.627 0.940 0.727 CB 1.726 151 residues pruned to eliminate duplicates Z: 130 100.198 2.397 0.951 0.638 0.946 0.736 CB 1.752 130 residues pruned to eliminate duplicates Z: 76 82.893 2.465 1.081 0.631 0.947 0.693 CB 1.742 76 residues pruned to eliminate duplicates Z: 105 86.356 2.409 0.963 0.600 0.933 0.692 CB 1.746 105 residues pruned to eliminate duplicates Z: 99 81.378 2.391 1.046 0.577 0.939 0.622 CB 1.662 99 residues pruned to eliminate duplicates Z: 86 71.267 2.318 1.063 0.577 0.941 0.612 CB 1.596 86 residues pruned to eliminate duplicates Z: 152 103.590 2.382 0.957 0.626 0.940 0.695 CB 1.708 152 residues pruned to eliminate duplicates Z: 85 73.909 2.368 0.914 0.621 0.929 0.726 CB 1.709 85 residues pruned to eliminate duplicates Z: 77 83.381 2.462 1.073 0.626 0.961 0.711 CB 1.733 77 residues pruned to eliminate duplicates Z: 155 95.329 2.347 0.916 0.613 0.929 0.688 CB 1.654 155 residues pruned to eliminate duplicates Z: 77 82.044 2.427 1.188 0.644 0.934 0.724 CB 1.659 77 residues pruned to eliminate duplicates Z: 153 106.964 2.364 1.036 0.624 0.947 0.737 CB 1.692 153 residues pruned to eliminate duplicates Z: 154 103.930 2.380 0.978 0.628 0.948 0.680 CB 1.671 154 residues pruned to eliminate duplicates Z: 87 72.687 2.351 0.929 0.621 0.919 0.733 CB 1.678 87 residues pruned to eliminate duplicates Z: 152 100.255 2.368 0.988 0.601 0.934 0.682 CB 1.686 152 residues pruned to eliminate duplicates Z: 85 86.773 2.393 1.077 0.648 0.952 0.714 CB 1.742 85 residues pruned to eliminate duplicates Z: 46 53.765 2.373 1.138 0.547 0.911 0.644 CB 1.656 46 residues pruned to eliminate duplicates Z: 118 94.499 2.432 1.096 0.582 0.940 0.667 CB 1.684 118 residues pruned to eliminate duplicates Z: 104 86.717 2.410 0.962 0.594 0.942 0.699 CB 1.755 104 residues pruned to eliminate duplicates Z: 100 83.251 2.396 1.027 0.606 0.939 0.667 CB 1.659 100 residues pruned to eliminate duplicates Z: 99 77.381 2.400 0.958 0.573 0.939 0.643 CB 1.651 99 residues pruned to eliminate duplicates Z: 153 99.599 2.384 0.938 0.622 0.928 0.757 CB 1.680 153 residues pruned to eliminate duplicates Z: 22 40.014 2.351 1.220 0.583 0.905 0.762 CB 1.707 22 residues pruned to eliminate duplicates Z: 88 71.337 2.337 0.905 0.606 0.943 0.690 CB 1.648 88 residues pruned to eliminate duplicates Z: 84 74.242 2.389 0.859 0.616 0.952 0.771 CB 1.727 84 residues pruned to eliminate duplicates Z: 84 75.664 2.403 0.825 0.622 0.952 0.807 CB 1.774 84 residues pruned to eliminate duplicates Z: 32 56.268 2.475 1.347 0.566 0.935 0.774 CB 1.745 32 residues pruned to eliminate duplicates Z: 105 78.806 2.423 0.875 0.576 0.904 0.731 CB 1.749 105 residues pruned to eliminate duplicates Z: 32 53.581 2.451 1.332 0.580 0.935 0.806 CB 1.666 32 residues pruned to eliminate duplicates Z: 111 84.287 2.420 1.013 0.549 0.936 0.691 CB 1.679 111 residues pruned to eliminate duplicates Z: 152 103.525 2.401 0.959 0.615 0.940 0.781 CB 1.709 152 residues pruned to eliminate duplicates Z: 128 102.098 2.424 1.003 0.634 0.953 0.748 CB 1.728 128 residues pruned to eliminate duplicates Z: 74 67.753 2.322 0.839 0.648 0.945 0.795 CB 1.711 74 residues pruned to eliminate duplicates Z: 89 69.602 2.301 0.910 0.586 0.932 0.648 CB 1.667 89 residues pruned to eliminate duplicates Z: 155 97.359 2.362 0.937 0.604 0.935 0.740 CB 1.662 155 residues pruned to eliminate duplicates Z: 152 103.595 2.394 0.968 0.625 0.940 0.715 CB 1.692 152 residues pruned to eliminate duplicates Z: 66 72.397 2.389 0.959 0.660 0.938 0.769 CB 1.763 66 residues pruned to eliminate duplicates Z: 71 67.244 2.393 0.838 0.616 0.943 0.714 CB 1.736 71 residues pruned to eliminate duplicates Z: 129 100.227 2.421 1.013 0.627 0.938 0.742 CB 1.720 129 residues pruned to eliminate duplicates Z: 108 82.248 2.403 1.124 0.544 0.907 0.654 CB 1.646 108 residues pruned to eliminate duplicates Z: 83 81.813 2.432 0.983 0.632 0.939 0.756 CB 1.762 83 residues pruned to eliminate duplicates Z: 153 102.173 2.386 0.963 0.609 0.941 0.704 CB 1.696 153 residues pruned to eliminate duplicates Z: 86 70.144 2.374 0.876 0.597 0.918 0.718 CB 1.697 86 residues pruned to eliminate duplicates Z: 73 71.006 2.395 0.986 0.607 0.903 0.750 CB 1.760 73 residues pruned to eliminate duplicates Z: 86 69.428 2.370 0.830 0.611 0.929 0.729 CB 1.681 86 residues pruned to eliminate duplicates Z: 47 48.852 2.329 0.582 0.651 0.935 0.739 CB 1.816 47 residues pruned to eliminate duplicates Z: 154 98.778 2.371 0.932 0.612 0.935 0.712 CB 1.677 154 residues pruned to eliminate duplicates Z: 131 93.948 2.374 0.987 0.633 0.931 0.731 CB 1.656 131 residues pruned to eliminate duplicates Z: 48 47.852 2.243 0.692 0.677 0.915 0.809 CB 1.708 48 residues pruned to eliminate duplicates Z: 155 95.306 2.350 0.954 0.593 0.929 0.682 CB 1.648 155 residues pruned to eliminate duplicates Z: 103 77.924 2.433 0.853 0.565 0.931 0.676 CB 1.726 103 residues pruned to eliminate duplicates Z: 55 54.555 2.354 0.731 0.644 0.907 0.778 CB 1.755 55 residues pruned to eliminate duplicates Z: 46 49.834 2.300 0.657 0.684 0.933 0.778 CB 1.764 46 residues pruned to eliminate duplicates Z: 45 55.575 2.335 0.726 0.690 0.932 0.818 CB 1.873 45 residues pruned to eliminate duplicates Z: 50 43.776 2.188 0.549 0.674 0.939 0.755 CB 1.673 50 residues pruned to eliminate duplicates Z: 87 74.375 2.358 0.940 0.621 0.919 0.744 CB 1.702 87 residues pruned to eliminate duplicates Z: 86 78.499 2.376 0.944 0.628 0.953 0.765 CB 1.716 86 residues pruned to eliminate duplicates Z: 48 52.973 2.293 0.728 0.668 0.936 0.787 CB 1.784 48 residues pruned to eliminate duplicates Z: 107 74.619 2.297 0.863 0.619 0.915 0.717 CB 1.654 107 residues pruned to eliminate duplicates Z: 154 97.014 2.363 0.942 0.607 0.922 0.739 CB 1.676 154 residues pruned to eliminate duplicates Z: 49 56.043 2.269 0.726 0.712 0.958 0.792 CB 1.779 49 residues pruned to eliminate duplicates Z: 55 57.079 2.304 0.758 0.645 0.963 0.815 CB 1.740 55 residues pruned to eliminate duplicates Z: 48 49.482 2.264 0.632 0.698 0.936 0.766 CB 1.741 48 residues pruned to eliminate duplicates Z: 85 76.738 2.369 0.940 0.630 0.940 0.750 CB 1.714 85 residues pruned to eliminate duplicates Z: 56 55.417 2.338 0.823 0.623 0.909 0.745 CB 1.717 56 residues pruned to eliminate duplicates Z: 71 65.927 2.359 0.814 0.618 0.943 0.743 CB 1.748 71 residues pruned to eliminate duplicates Z: 48 58.020 2.252 0.796 0.733 0.979 0.809 CB 1.733 48 residues pruned to eliminate duplicates Z: 35 41.515 2.208 0.557 0.728 0.971 0.824 CB 1.739 35 residues pruned to eliminate duplicates Z: 111 79.158 2.313 0.902 0.620 0.927 0.755 CB 1.651 111 residues pruned to eliminate duplicates Z: 85 78.906 2.382 0.988 0.637 0.940 0.774 CB 1.700 85 residues pruned to eliminate duplicates Z: 34 46.870 2.214 0.681 0.749 1.000 0.879 CB 1.755 34 residues pruned to eliminate duplicates Z: 105 80.807 2.357 0.937 0.602 0.933 0.702 CB 1.688 105 residues pruned to eliminate duplicates Z: 86 74.819 2.359 0.973 0.620 0.929 0.729 CB 1.675 86 residues pruned to eliminate duplicates Z: 152 100.770 2.392 0.987 0.601 0.921 0.755 CB 1.702 152 residues pruned to eliminate duplicates Z: 128 95.732 2.438 0.920 0.611 0.945 0.693 CB 1.729 128 residues pruned to eliminate duplicates Z: 47 55.121 2.318 0.780 0.675 0.913 0.761 CB 1.835 48 residues pruned to eliminate duplicates Z: 21 35.052 2.239 0.483 0.917 1.000 0.900 CB 1.665 21 residues pruned to eliminate duplicates Z: 85 78.711 2.393 0.970 0.611 0.952 0.738 CB 1.721 85 residues pruned to eliminate duplicates Z: 46 57.520 2.338 0.801 0.712 0.933 0.800 CB 1.800 46 residues pruned to eliminate duplicates Z: 84 84.972 2.414 1.062 0.638 0.952 0.747 CB 1.731 84 residues pruned to eliminate duplicates Z: 23 40.258 2.143 0.723 0.908 1.000 0.773 CB 1.651 23 residues pruned to eliminate duplicates Z: 152 103.893 2.382 0.998 0.628 0.940 0.695 CB 1.674 152 residues pruned to eliminate duplicates Z: 22 41.397 2.193 0.801 0.910 1.000 0.714 CB 1.623 22 residues pruned to eliminate duplicates Z: 152 101.686 2.377 0.994 0.608 0.940 0.682 CB 1.675 152 residues pruned to eliminate duplicates Z: 71 66.242 2.325 0.938 0.607 0.914 0.700 CB 1.736 71 residues pruned to eliminate duplicates Z: 95 76.784 2.329 0.957 0.582 0.936 0.660 CB 1.716 69 residues pruned to eliminate duplicates Z: 6 6.402 1.784 0.947 0.284 1.000 0.400 CA 1.051 6 residues pruned to eliminate duplicates Z: 114 72.020 2.295 0.876 0.560 0.929 0.628 CB 1.597 27 residues pruned to eliminate duplicates Z: 6 8.867 2.233 1.003 0.309 0.800 0.200 CB 1.371 6 residues pruned to eliminate duplicates Z: 24 38.431 2.291 0.925 0.559 0.957 0.609 CB 1.794 24 residues pruned to eliminate duplicates Z: 26 35.957 2.223 0.898 0.545 1.000 0.720 CB 1.631 26 residues pruned to eliminate duplicates Z: 25 33.379 2.233 0.902 0.528 0.958 0.625 CB 1.628 25 residues pruned to eliminate duplicates Z: 25 29.363 2.222 0.731 0.528 0.917 0.542 CB 1.654 25 residues pruned to eliminate duplicates Z: 26 34.880 2.228 0.838 0.559 0.960 0.640 CB 1.675 26 residues pruned to eliminate duplicates Z: 35 27.971 2.084 0.782 0.500 0.882 0.559 CB 1.463 35 residues pruned to eliminate duplicates Z: 24 36.518 2.305 0.873 0.564 0.957 0.652 CB 1.732 24 residues pruned to eliminate duplicates Z: 23 37.719 2.333 0.925 0.582 0.955 0.682 CB 1.734 23 residues pruned to eliminate duplicates Z: 25 33.575 2.214 0.861 0.545 0.958 0.583 CB 1.661 25 residues pruned to eliminate duplicates Z: 25 33.641 2.223 0.819 0.545 0.958 0.583 CB 1.695 25 residues pruned to eliminate duplicates Z: 26 33.275 2.197 0.935 0.532 0.920 0.600 CB 1.649 26 residues pruned to eliminate duplicates Z: 22 37.041 2.363 0.787 0.599 0.952 0.667 CB 1.830 22 residues pruned to eliminate duplicates Z: 24 35.104 2.300 0.750 0.543 1.000 0.783 CB 1.744 24 residues pruned to eliminate duplicates Z: 26 29.908 2.210 0.774 0.528 0.920 0.720 CB 1.614 26 residues pruned to eliminate duplicates Z: 85 61.461 2.346 0.770 0.573 0.917 0.655 CB 1.641 85 residues pruned to eliminate duplicates Z: 113 71.045 2.291 0.857 0.558 0.929 0.688 CB 1.605 113 residues pruned to eliminate duplicates Z: 58 54.895 2.281 0.865 0.622 0.947 0.667 CB 1.608 58 residues pruned to eliminate duplicates Z: 120 78.146 2.304 0.938 0.561 0.941 0.681 CB 1.608 114 residues pruned to eliminate duplicates Z: 8 8.925 1.610 0.714 0.547 1.000 0.714 CB 1.167 8 residues pruned to eliminate duplicates Z: 114 72.926 2.285 0.879 0.561 0.938 0.637 CB 1.605 114 residues pruned to eliminate duplicates Z: 112 73.923 2.313 0.943 0.560 0.928 0.649 CB 1.587 112 residues pruned to eliminate duplicates Z: 102 71.868 2.349 0.868 0.562 0.931 0.644 CB 1.649 102 residues pruned to eliminate duplicates Z: 146 84.347 2.280 0.871 0.587 0.938 0.655 CB 1.611 120 residues pruned to eliminate duplicates Z: 25 50.988 2.432 0.964 0.865 1.000 1.000 CB 1.596 25 residues pruned to eliminate duplicates Z: 95 71.099 2.324 0.907 0.586 0.947 0.681 CB 1.609 95 residues pruned to eliminate duplicates Z: 89 68.744 2.349 0.857 0.559 0.943 0.716 CB 1.682 89 residues pruned to eliminate duplicates Z: 70 67.002 2.433 0.876 0.586 0.942 0.696 CB 1.727 70 residues pruned to eliminate duplicates Z: 88 65.031 2.330 0.852 0.569 0.943 0.667 CB 1.603 88 residues pruned to eliminate duplicates Z: 121 79.766 2.298 0.934 0.567 0.950 0.683 CB 1.616 121 residues pruned to eliminate duplicates Z: 102 77.019 2.363 0.988 0.584 0.921 0.723 CB 1.634 102 residues pruned to eliminate duplicates Z: 75 70.539 2.418 0.939 0.615 0.959 0.662 CB 1.634 75 residues pruned to eliminate duplicates Z: 103 77.469 2.362 0.958 0.569 0.941 0.667 CB 1.648 103 residues pruned to eliminate duplicates Z: 111 79.364 2.334 0.983 0.573 0.955 0.700 CB 1.596 111 residues pruned to eliminate duplicates Z: 102 76.875 2.350 1.001 0.562 0.941 0.614 CB 1.629 102 residues pruned to eliminate duplicates Z: 101 82.262 2.383 1.023 0.581 0.940 0.660 CB 1.679 101 residues pruned to eliminate duplicates Z: 112 80.088 2.324 1.031 0.566 0.937 0.685 CB 1.612 112 residues pruned to eliminate duplicates Z: 122 79.787 2.292 0.996 0.563 0.934 0.719 CB 1.598 122 residues pruned to eliminate duplicates Z: 120 81.357 2.310 0.973 0.570 0.941 0.613 CB 1.626 120 residues pruned to eliminate duplicates Z: 120 80.365 2.314 0.960 0.571 0.924 0.681 CB 1.641 120 residues pruned to eliminate duplicates Z: 77 72.626 2.388 1.078 0.600 0.934 0.737 CB 1.634 77 residues pruned to eliminate duplicates Z: 93 78.741 2.350 1.078 0.593 0.946 0.674 CB 1.627 93 residues pruned to eliminate duplicates Z: 75 70.894 2.403 1.004 0.602 0.946 0.649 CB 1.643 75 residues pruned to eliminate duplicates Z: 83 70.286 2.375 0.972 0.577 0.939 0.646 CB 1.638 83 residues pruned to eliminate duplicates Z: 112 79.077 2.327 1.028 0.568 0.919 0.667 CB 1.621 112 residues pruned to eliminate duplicates Z: 112 80.306 2.311 1.025 0.561 0.946 0.667 CB 1.622 112 residues pruned to eliminate duplicates Z: 61 57.625 2.361 0.953 0.567 0.950 0.550 CB 1.592 61 residues pruned to eliminate duplicates Z: 72 63.005 2.316 0.920 0.588 0.930 0.662 CB 1.662 72 residues pruned to eliminate duplicates Z: 52 47.975 2.346 0.967 0.486 0.902 0.588 CB 1.637 52 residues pruned to eliminate duplicates Z: 112 76.931 2.316 0.982 0.553 0.946 0.649 CB 1.598 112 residues pruned to eliminate duplicates Z: 112 76.725 2.323 0.997 0.559 0.919 0.613 CB 1.613 112 residues pruned to eliminate duplicates Z: 84 71.551 2.376 1.032 0.569 0.952 0.639 CB 1.599 84 residues pruned to eliminate duplicates Z: 102 76.920 2.366 0.987 0.572 0.931 0.644 CB 1.631 102 residues pruned to eliminate duplicates Z: 102 75.989 2.356 0.987 0.558 0.931 0.614 CB 1.639 102 residues pruned to eliminate duplicates Z: 113 77.579 2.309 1.010 0.560 0.938 0.679 CB 1.590 113 residues pruned to eliminate duplicates Z: 60 48.198 2.289 0.972 0.467 0.915 0.644 CB 1.571 60 residues pruned to eliminate duplicates Z: 113 76.187 2.307 0.969 0.562 0.938 0.652 CB 1.592 113 residues pruned to eliminate duplicates Z: 59 50.358 2.322 0.934 0.471 0.948 0.603 CB 1.599 59 residues pruned to eliminate duplicates Z: 36 32.961 2.295 0.884 0.438 0.886 0.429 CB 1.552 36 residues pruned to eliminate duplicates Z: 89 65.836 2.303 0.942 0.555 0.943 0.591 CB 1.577 89 residues pruned to eliminate duplicates Z: 58 49.847 2.298 0.952 0.483 0.947 0.614 CB 1.581 58 residues pruned to eliminate duplicates Z: 111 73.604 2.287 0.920 0.547 0.945 0.636 CB 1.615 111 residues pruned to eliminate duplicates Z: 75 72.789 2.412 1.077 0.585 0.946 0.716 CB 1.645 75 residues pruned to eliminate duplicates Z: 113 78.270 2.319 1.014 0.569 0.929 0.705 CB 1.595 113 residues pruned to eliminate duplicates Z: 59 50.693 2.313 1.032 0.479 0.914 0.655 CB 1.583 59 residues pruned to eliminate duplicates Z: 119 82.292 2.313 1.017 0.563 0.949 0.669 CB 1.609 119 residues pruned to eliminate duplicates Z: 101 82.121 2.385 1.023 0.582 0.950 0.660 CB 1.656 101 residues pruned to eliminate duplicates Z: 104 72.378 2.326 0.970 0.568 0.922 0.680 CB 1.581 104 residues pruned to eliminate duplicates Z: 103 76.222 2.358 1.035 0.569 0.912 0.637 CB 1.613 103 residues pruned to eliminate duplicates Z: 89 69.247 2.316 1.009 0.576 0.932 0.670 CB 1.582 89 residues pruned to eliminate duplicates Z: 88 67.880 2.332 0.972 0.562 0.920 0.644 CB 1.621 88 residues pruned to eliminate duplicates Z: 30 41.924 2.420 0.889 0.513 0.966 0.586 CB 1.741 30 residues pruned to eliminate duplicates Z: 89 65.584 2.305 0.938 0.558 0.932 0.614 CB 1.587 89 residues pruned to eliminate duplicates Z: 40 49.543 2.323 1.057 0.548 0.949 0.667 CB 1.670 40 residues pruned to eliminate duplicates Z: 28 33.636 2.207 0.516 0.699 1.000 0.815 CB 1.614 28 residues pruned to eliminate duplicates Z: 6 5.653 1.921 0.518 0.487 1.000 1.000 CA 0.878 6 residues pruned to eliminate duplicates Z: 48 35.951 2.040 0.681 0.576 0.936 0.723 CB 1.519 48 residues pruned to eliminate duplicates Z: 27 34.812 2.243 0.629 0.649 0.962 0.731 CB 1.692 28 residues pruned to eliminate duplicates Z: 6 9.116 2.052 0.722 0.382 1.000 0.800 CA 1.308 6 residues pruned to eliminate duplicates Z: 29 33.995 2.168 0.543 0.705 1.000 0.750 CB 1.594 29 residues pruned to eliminate duplicates Z: 29 30.439 2.160 0.587 0.627 0.964 0.643 CB 1.544 29 residues pruned to eliminate duplicates Z: 30 27.544 2.121 0.561 0.594 0.897 0.655 CB 1.575 29 residues pruned to eliminate duplicates Z: 16 30.059 2.129 0.838 0.888 0.933 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 49 40.864 2.054 0.737 0.587 0.979 0.688 CB 1.553 49 residues pruned to eliminate duplicates Z: 17 27.111 2.091 0.507 0.886 1.000 0.625 CB 1.551 17 residues pruned to eliminate duplicates Z: 28 34.702 2.215 0.652 0.669 0.963 0.815 CB 1.621 28 residues pruned to eliminate duplicates Z: 28 33.138 2.212 0.627 0.639 0.963 0.741 CB 1.616 28 residues pruned to eliminate duplicates Z: 29 31.868 2.168 0.520 0.679 0.964 0.786 CB 1.607 29 residues pruned to eliminate duplicates Z: 30 29.825 2.125 0.596 0.623 0.931 0.724 CB 1.563 30 residues pruned to eliminate duplicates Z: 28 30.867 2.145 0.668 0.644 0.889 0.778 CB 1.632 28 residues pruned to eliminate duplicates Z: 29 29.156 2.158 0.631 0.658 0.893 0.821 CB 1.515 29 residues pruned to eliminate duplicates Z: 28 34.377 2.209 0.614 0.692 0.963 0.852 CB 1.618 28 residues pruned to eliminate duplicates Z: 49 38.233 2.050 0.698 0.597 0.938 0.750 CB 1.541 49 residues pruned to eliminate duplicates Z: 29 32.580 2.169 0.582 0.676 0.964 0.857 CB 1.581 29 residues pruned to eliminate duplicates Z: 28 34.360 2.218 0.599 0.675 0.963 0.852 CB 1.647 28 residues pruned to eliminate duplicates Z: 28 35.692 2.224 0.566 0.705 1.000 0.815 CB 1.636 28 residues pruned to eliminate duplicates Z: 27 41.607 2.312 0.745 0.775 0.962 0.923 CB 1.650 27 residues pruned to eliminate duplicates Z: 74 66.657 2.301 0.930 0.640 0.945 0.658 CB 1.630 73 residues pruned to eliminate duplicates Z: 21 46.598 2.406 0.729 0.924 1.000 1.000 CB 1.759 21 residues pruned to eliminate duplicates Z: 106 61.780 2.225 0.783 0.571 0.924 0.667 CB 1.536 106 residues pruned to eliminate duplicates Z: 73 68.983 2.325 0.975 0.626 0.944 0.750 CB 1.664 73 residues pruned to eliminate duplicates Z: 21 56.780 2.418 1.120 0.955 1.000 0.800 CB 1.703 21 residues pruned to eliminate duplicates Z: 30 43.617 2.187 0.994 0.722 0.966 0.793 CB 1.573 30 residues pruned to eliminate duplicates Z: 30 45.133 2.195 0.981 0.749 0.966 0.690 CB 1.599 30 residues pruned to eliminate duplicates Z: 18 45.677 2.311 1.170 0.895 0.941 0.706 CB 1.683 18 residues pruned to eliminate duplicates Z: 108 66.346 2.206 0.850 0.577 0.963 0.692 CB 1.516 108 residues pruned to eliminate duplicates Z: 29 43.865 2.224 0.909 0.751 0.964 0.786 CB 1.619 29 residues pruned to eliminate duplicates Z: 83 59.261 2.234 0.871 0.603 0.939 0.646 CB 1.512 83 residues pruned to eliminate duplicates Z: 22 52.403 2.365 1.051 0.933 1.000 0.714 CB 1.645 22 residues pruned to eliminate duplicates Z: 74 69.390 2.310 0.970 0.625 0.959 0.699 CB 1.654 74 residues pruned to eliminate duplicates Z: 124 64.452 2.132 0.795 0.595 0.959 0.626 CB 1.446 123 residues pruned to eliminate duplicates Z: 22 56.183 2.352 1.239 0.931 1.000 0.619 CB 1.627 22 residues pruned to eliminate duplicates Z: 73 70.208 2.304 1.010 0.626 0.972 0.694 CB 1.632 73 residues pruned to eliminate duplicates Z: 22 55.136 2.354 1.169 0.947 1.000 0.810 CB 1.628 25 residues pruned to eliminate duplicates Z: 21 56.449 2.433 1.076 0.944 1.000 0.800 CB 1.731 21 residues pruned to eliminate duplicates Z: 29 44.100 2.236 0.902 0.763 0.964 0.750 CB 1.609 26 residues pruned to eliminate duplicates Z: 21 56.526 2.430 1.100 0.937 1.000 0.750 CB 1.724 21 residues pruned to eliminate duplicates Z: 71 72.381 2.349 0.989 0.625 0.971 0.700 CB 1.695 72 residues pruned to eliminate duplicates Z: 24 47.730 2.289 1.050 0.817 1.000 0.652 CB 1.610 24 residues pruned to eliminate duplicates Z: 57 56.194 2.307 0.902 0.612 0.946 0.643 CB 1.625 57 residues pruned to eliminate duplicates Z: 94 66.883 2.238 0.936 0.589 0.946 0.667 CB 1.553 94 residues pruned to eliminate duplicates Z: 74 67.091 2.307 1.002 0.613 0.932 0.699 CB 1.640 74 residues pruned to eliminate duplicates Z: 36 29.961 2.195 0.798 0.432 0.914 0.514 CB 1.506 36 residues pruned to eliminate duplicates Z: 44 50.929 2.278 0.920 0.656 0.930 0.581 CB 1.651 44 residues pruned to eliminate duplicates Z: 57 58.077 2.309 1.023 0.613 0.964 0.696 CB 1.548 57 residues pruned to eliminate duplicates Z: 105 68.945 2.252 0.919 0.581 0.933 0.644 CB 1.551 105 residues pruned to eliminate duplicates Z: 6 5.194 1.946 0.621 0.302 0.800 0.600 CA 1.148 6 residues pruned to eliminate duplicates Z: 72 66.375 2.327 0.992 0.601 0.944 0.606 CB 1.637 72 residues pruned to eliminate duplicates Z: 6 8.728 1.766 0.917 0.442 1.000 0.400 CA 1.224 6 residues pruned to eliminate duplicates Z: 57 58.059 2.298 0.945 0.628 0.964 0.679 CB 1.596 57 residues pruned to eliminate duplicates Z: 73 66.642 2.316 0.978 0.612 0.944 0.681 CB 1.633 73 residues pruned to eliminate duplicates Z: 73 66.098 2.313 0.967 0.612 0.958 0.667 CB 1.606 73 residues pruned to eliminate duplicates Z: 45 51.632 2.273 0.932 0.643 0.955 0.614 CB 1.624 45 residues pruned to eliminate duplicates Z: 44 52.953 2.285 0.937 0.656 0.977 0.605 CB 1.615 44 residues pruned to eliminate duplicates Z: 82 70.472 2.310 1.002 0.606 0.951 0.691 CB 1.610 82 residues pruned to eliminate duplicates Z: 108 69.585 2.217 0.958 0.586 0.944 0.664 CB 1.513 108 residues pruned to eliminate duplicates Z: 105 68.347 2.241 0.970 0.590 0.923 0.606 CB 1.509 105 residues pruned to eliminate duplicates Z: 32 35.384 2.263 0.901 0.541 0.935 0.645 CB 1.517 32 residues pruned to eliminate duplicates Z: 73 68.754 2.318 1.032 0.625 0.944 0.667 CB 1.620 73 residues pruned to eliminate duplicates Z: 65 43.232 2.144 0.910 0.537 0.906 0.641 CB 1.404 65 residues pruned to eliminate duplicates Z: 62 44.733 2.187 0.931 0.554 0.885 0.672 CB 1.454 62 residues pruned to eliminate duplicates Z: 31 29.850 2.264 0.799 0.518 0.900 0.700 CB 1.460 31 residues pruned to eliminate duplicates Z: 72 69.111 2.348 1.005 0.638 0.930 0.634 CB 1.647 72 residues pruned to eliminate duplicates Z: 94 66.612 2.263 0.900 0.596 0.946 0.667 CB 1.549 94 residues pruned to eliminate duplicates Z: 31 39.734 2.329 1.075 0.577 0.867 0.700 CB 1.608 31 residues pruned to eliminate duplicates Z: 101 54.854 2.089 0.808 0.588 0.950 0.660 CB 1.405 101 residues pruned to eliminate duplicates Z: 35 40.794 2.183 1.132 0.595 0.912 0.676 CB 1.506 35 residues pruned to eliminate duplicates Z: 43 35.004 2.163 0.882 0.482 0.929 0.643 CB 1.455 43 residues pruned to eliminate duplicates Z: 65 43.314 2.162 0.881 0.509 0.938 0.625 CB 1.408 65 residues pruned to eliminate duplicates Z: 50 40.862 2.165 0.899 0.555 0.918 0.633 CB 1.465 50 residues pruned to eliminate duplicates Z: 31 39.285 2.261 0.971 0.574 0.967 0.567 CB 1.550 31 residues pruned to eliminate duplicates Z: 68 41.933 2.003 0.754 0.633 0.955 0.701 CB 1.347 67 residues pruned to eliminate duplicates Z: 7 8.399 2.042 0.779 0.304 0.833 0.333 CA 1.409 7 residues pruned to eliminate duplicates Z: 31 38.737 2.322 1.092 0.545 0.900 0.533 CB 1.547 31 residues pruned to eliminate duplicates Z: 124 65.948 2.133 0.875 0.621 0.927 0.667 CB 1.431 124 residues pruned to eliminate duplicates Z: 47 37.608 2.218 0.917 0.496 0.935 0.609 CB 1.401 47 residues pruned to eliminate duplicates Z: 62 45.142 2.182 0.956 0.557 0.918 0.672 CB 1.396 62 residues pruned to eliminate duplicates Z: 54 29.144 2.023 0.731 0.442 0.868 0.585 CB 1.398 54 residues pruned to eliminate duplicates Z: 65 44.343 2.164 0.940 0.512 0.922 0.656 CB 1.416 65 residues pruned to eliminate duplicates Z: 43 32.999 2.186 0.857 0.490 0.905 0.595 CB 1.399 43 residues pruned to eliminate duplicates Z: 65 43.863 2.155 0.883 0.513 0.938 0.578 CB 1.424 65 residues pruned to eliminate duplicates Z: 29 33.467 2.297 0.799 0.572 0.893 0.679 CB 1.598 29 residues pruned to eliminate duplicates Z: 65 39.051 2.163 0.802 0.486 0.906 0.609 CB 1.402 65 residues pruned to eliminate duplicates Z: 65 40.204 2.141 0.846 0.526 0.891 0.625 CB 1.392 65 residues pruned to eliminate duplicates Z: 51 38.175 2.143 0.910 0.509 0.940 0.640 CB 1.392 51 residues pruned to eliminate duplicates Z: 81 51.026 2.210 0.892 0.517 0.925 0.613 CB 1.450 81 residues pruned to eliminate duplicates Z: 125 64.873 2.127 0.823 0.616 0.944 0.645 CB 1.428 125 residues pruned to eliminate duplicates Z: 107 69.417 2.224 0.961 0.585 0.953 0.660 CB 1.495 107 residues pruned to eliminate duplicates Z: 33 22.386 2.020 0.708 0.485 0.938 0.500 CB 1.243 33 residues pruned to eliminate duplicates Z: 33 20.880 2.021 0.689 0.447 0.875 0.562 CB 1.305 33 residues pruned to eliminate duplicates Z: 51 34.261 2.125 0.797 0.505 0.900 0.640 CB 1.404 51 residues pruned to eliminate duplicates Z: 32 24.321 2.044 0.797 0.508 0.903 0.677 CB 1.307 32 residues pruned to eliminate duplicates Z: 50 34.591 2.027 0.854 0.496 0.939 0.694 CB 1.406 50 residues pruned to eliminate duplicates Z: 51 37.209 2.134 0.853 0.505 0.940 0.560 CB 1.408 51 residues pruned to eliminate duplicates Z: 66 38.299 2.114 0.941 0.487 0.877 0.662 CB 1.337 66 residues pruned to eliminate duplicates Z: 36 20.571 1.958 0.719 0.432 0.914 0.629 CB 1.213 36 residues pruned to eliminate duplicates Z: 64 43.807 2.164 0.900 0.513 0.952 0.651 CB 1.390 64 residues pruned to eliminate duplicates Z: 64 37.933 2.136 0.816 0.490 0.889 0.667 CB 1.400 64 residues pruned to eliminate duplicates Z: 65 40.804 2.136 0.898 0.526 0.891 0.688 CB 1.376 65 residues pruned to eliminate duplicates Z: 19 29.514 2.157 1.110 0.635 0.944 0.722 CB 1.426 19 residues pruned to eliminate duplicates Z: 106 64.415 2.218 0.934 0.577 0.914 0.657 CB 1.488 106 residues pruned to eliminate duplicates Z: 66 45.677 2.142 1.003 0.524 0.923 0.692 CB 1.397 66 residues pruned to eliminate duplicates Z: 108 69.280 2.203 1.027 0.590 0.935 0.664 CB 1.473 108 residues pruned to eliminate duplicates Z: 64 45.964 2.151 0.964 0.538 0.921 0.698 CB 1.435 64 residues pruned to eliminate duplicates Z: 70 43.131 2.096 0.903 0.519 0.942 0.638 CB 1.357 70 residues pruned to eliminate duplicates Z: 53 37.388 2.057 0.934 0.507 0.962 0.673 CB 1.346 53 residues pruned to eliminate duplicates Z: 51 39.992 2.150 0.938 0.534 0.920 0.660 CB 1.427 51 residues pruned to eliminate duplicates Z: 63 41.486 2.156 0.858 0.512 0.903 0.661 CB 1.439 63 residues pruned to eliminate duplicates Z: 27 21.984 2.040 0.914 0.534 0.923 0.577 CB 1.157 27 residues pruned to eliminate duplicates Z: 107 69.201 2.224 0.934 0.589 0.953 0.679 CB 1.507 107 residues pruned to eliminate duplicates Z: 31 28.278 2.081 0.922 0.543 0.933 0.633 CB 1.326 31 residues pruned to eliminate duplicates Z: 64 44.285 2.161 0.952 0.523 0.921 0.635 CB 1.404 64 residues pruned to eliminate duplicates Z: 13 11.143 1.884 0.416 0.508 1.000 0.667 CB 1.196 13 residues pruned to eliminate duplicates Z: 33 25.518 1.989 0.782 0.521 0.969 0.656 CB 1.286 33 residues pruned to eliminate duplicates Z: 106 65.060 2.225 0.899 0.574 0.924 0.657 CB 1.515 106 residues pruned to eliminate duplicates Z: 69 41.997 2.023 0.779 0.615 0.941 0.735 CB 1.349 70 residues pruned to eliminate duplicates Z: 19 13.251 1.595 0.324 0.815 1.000 0.556 CB 1.125 19 residues pruned to eliminate duplicates Z: 69 41.876 2.024 0.808 0.610 0.926 0.735 CB 1.350 69 residues pruned to eliminate duplicates Z: 82 45.073 2.060 0.778 0.586 0.926 0.704 CB 1.359 82 residues pruned to eliminate duplicates Z: 31 17.341 1.767 0.311 0.707 0.967 0.633 CB 1.171 31 residues pruned to eliminate duplicates Z: 50 30.410 1.892 0.695 0.627 0.959 0.633 CB 1.253 50 residues pruned to eliminate duplicates Z: 83 49.958 2.051 0.894 0.608 0.951 0.744 CB 1.348 83 residues pruned to eliminate duplicates Z: 19 14.834 1.618 0.406 0.865 1.000 0.500 CB 1.126 18 residues pruned to eliminate duplicates Z: 17 13.515 1.659 0.243 0.866 1.000 0.562 CB 1.200 17 residues pruned to eliminate duplicates Z: 125 66.631 2.140 0.821 0.619 0.944 0.677 CB 1.454 125 residues pruned to eliminate duplicates Z: 71 40.895 2.038 0.788 0.591 0.943 0.643 CB 1.304 71 residues pruned to eliminate duplicates Z: 49 28.785 1.912 0.606 0.625 0.979 0.708 CB 1.228 49 residues pruned to eliminate duplicates Z: 45 28.904 1.865 0.676 0.661 0.977 0.705 CB 1.229 45 residues pruned to eliminate duplicates Z: 52 27.894 1.863 0.570 0.626 0.961 0.686 CB 1.235 52 residues pruned to eliminate duplicates Z: 32 18.322 1.712 0.394 0.676 1.000 0.645 CB 1.172 32 residues pruned to eliminate duplicates Z: 17 15.744 1.700 0.404 0.865 1.000 0.625 CB 1.209 17 residues pruned to eliminate duplicates Z: 83 43.033 2.029 0.748 0.580 0.915 0.683 CB 1.356 83 residues pruned to eliminate duplicates Z: 19 14.644 1.620 0.365 0.874 1.000 0.722 CB 1.136 19 residues pruned to eliminate duplicates Z: 32 19.088 1.740 0.385 0.713 1.000 0.710 CB 1.173 32 residues pruned to eliminate duplicates Z: 45 25.812 1.860 0.719 0.640 0.909 0.591 CB 1.175 45 residues pruned to eliminate duplicates Z: 18 18.166 1.931 0.430 0.608 1.000 0.706 CB 1.440 18 residues pruned to eliminate duplicates Z: 19 16.976 1.863 0.535 0.550 0.944 0.722 CB 1.411 19 residues pruned to eliminate duplicates Z: 19 17.226 1.871 0.480 0.567 1.000 0.667 CB 1.375 19 residues pruned to eliminate duplicates Z: 19 16.065 1.857 0.487 0.573 0.944 0.722 CB 1.354 19 residues pruned to eliminate duplicates Z: 23 17.288 1.797 0.619 0.516 0.955 0.636 CB 1.306 23 residues pruned to eliminate duplicates Z: 19 18.172 1.843 0.509 0.610 1.000 0.667 CB 1.387 19 residues pruned to eliminate duplicates Z: 18 20.348 1.943 0.550 0.603 1.000 0.647 CB 1.485 18 residues pruned to eliminate duplicates Z: 18 19.165 1.944 0.542 0.575 1.000 0.529 CB 1.442 18 residues pruned to eliminate duplicates Z: 19 17.954 1.869 0.595 0.534 1.000 0.667 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 15.429 1.939 0.594 0.496 0.833 0.500 CB 1.418 19 residues pruned to eliminate duplicates Z: 16 18.720 1.938 0.713 0.549 1.000 0.667 CB 1.387 16 residues pruned to eliminate duplicates Z: 6 4.629 1.602 1.059 0.237 0.800 0.400 N 1.064 6 residues pruned to eliminate duplicates Z: 19 17.917 1.860 0.656 0.556 0.944 0.611 CB 1.374 19 residues pruned to eliminate duplicates Z: 18 17.853 1.926 0.616 0.567 0.941 0.588 CB 1.385 18 residues pruned to eliminate duplicates Z: 8 10.007 1.794 0.606 0.570 0.857 0.571 CB 1.431 8 residues pruned to eliminate duplicates 427 residues left after pruning, divided into chains as follows: A: 46 B: 219 C: 20 D: 124 E: 18 CC for partial structure against native data = 44.51 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.547, Connect. = 0.786 for dens.mod. cycle 1 = 0.300, Contrast = 0.621, Connect. = 0.808 for dens.mod. cycle 2 = 0.301, Contrast = 0.750, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.763, Connect. = 0.832 for dens.mod. cycle 4 = 0.301, Contrast = 0.780, Connect. = 0.834 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.835 for dens.mod. cycle 6 = 0.301, Contrast = 0.795, Connect. = 0.835 for dens.mod. cycle 7 = 0.301, Contrast = 0.799, Connect. = 0.836 for dens.mod. cycle 8 = 0.301, Contrast = 0.803, Connect. = 0.836 for dens.mod. cycle 9 = 0.301, Contrast = 0.805, Connect. = 0.837 for dens.mod. cycle 10 TimeTaking 334.62