++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:30:17 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: ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.ins Phases from ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.phi Native data from ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.hkl Listing output to ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.lst Phases output to ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.phs Poly-Ala trace output to ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 41 21 2 Allowed origin shift code: 9 72462 Reflections read from file ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.phi 72462 Reflections read from file ./2fg0-1.8-parrot-mrncs/2fg0-1.8-parrot-mrncs.hkl 72462 Unique data, highest resolution = 1.792 Angstroms Anisotropic scaling: intensities multiplied by 0.000012h^2 +0.000012k^2 -0.000020l^2 +0.000000kl +0.000000hl +0.000000hk 70 Reflections with d > 1.992 and 0 in range 1.992 > d > 1.792 added Density sharpening factor set to 1.06 Fourier grid = 256 x 256 x 21 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.644 ** -f missing ?? ** = 0.300, Contrast = 0.334, Connect. = 0.661 for dens.mod. cycle 1 = 0.300, Contrast = 0.492, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.848, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 1.023, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 1.113, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 1.157, Connect. = 0.821 for dens.mod. cycle 6 = 0.300, Contrast = 1.181, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 1.193, Connect. = 0.829 for dens.mod. cycle 8 = 0.300, Contrast = 1.200, Connect. = 0.831 for dens.mod. cycle 9 = 0.300, Contrast = 1.204, Connect. = 0.832 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2500 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 584 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 21.406 2.251 1.118 0.364 0.818 0.636 CB 1.354 B: 15 52.326 2.522 1.692 0.798 0.929 0.643 CB 1.709 C: 23 59.448 2.587 0.845 0.917 1.000 0.864 CA 1.874 D: 22 71.051 2.614 1.151 0.908 1.000 0.762 CA 1.959 E: 23 71.218 2.612 1.180 0.918 1.000 0.682 CA 1.881 22 residues pruned to eliminate duplicates F: 54 58.640 2.516 1.188 0.527 0.868 0.623 CB 1.642 27 residues pruned to eliminate duplicates G: 23 69.699 2.615 1.168 0.926 1.000 0.727 CA 1.838 23 residues pruned to eliminate duplicates H: 22 63.573 2.655 0.973 0.919 1.000 0.857 CA 1.866 22 residues pruned to eliminate duplicates I: 24 56.977 2.519 0.935 0.907 1.000 0.826 CA 1.732 24 residues pruned to eliminate duplicates J: 23 55.529 2.617 0.706 0.917 1.000 0.864 CB 1.871 23 residues pruned to eliminate duplicates K: 15 38.086 2.458 1.210 0.795 0.857 0.643 CA 1.688 L: 16 35.716 2.389 1.031 0.833 0.933 0.867 CA 1.528 16 residues pruned to eliminate duplicates M: 115 91.397 2.480 1.134 0.563 0.921 0.640 CB 1.652 38 residues pruned to eliminate duplicates N: 23 62.306 2.589 0.904 0.927 1.000 0.955 CA 1.888 23 residues pruned to eliminate duplicates O: 16 37.595 2.386 0.968 0.918 1.000 0.667 CB 1.457 16 residues pruned to eliminate duplicates P: 14 44.562 2.593 1.311 0.830 0.923 0.538 CA 1.680 14 residues pruned to eliminate duplicates Q: 24 73.814 2.541 1.350 0.907 1.000 0.696 CA 1.832 24 residues pruned to eliminate duplicates R: 15 50.403 2.496 1.503 0.793 1.000 0.786 CB 1.668 15 residues pruned to eliminate duplicates S: 23 59.630 2.600 0.934 0.893 1.000 0.773 CA 1.815 23 residues pruned to eliminate duplicates T: 23 55.122 2.573 0.763 0.932 1.000 1.000 CA 1.809 23 residues pruned to eliminate duplicates U: 15 42.854 2.474 1.308 0.804 0.929 0.714 CA 1.657 15 residues pruned to eliminate duplicates V: 23 65.548 2.616 1.064 0.931 1.000 0.818 CA 1.808 23 residues pruned to eliminate duplicates W: 24 53.694 2.534 0.759 0.886 0.957 0.870 CB 1.894 24 residues pruned to eliminate duplicates X: 52 40.964 2.277 1.168 0.456 0.922 0.549 CB 1.320 Y: 23 70.244 2.598 1.135 0.928 1.000 0.864 CA 1.892 23 residues pruned to eliminate duplicates Z: 21 69.681 2.635 1.155 0.914 1.000 0.750 CB 1.941 23 residues pruned to eliminate duplicates Z: 16 38.780 2.339 1.093 0.861 1.000 0.600 CA 1.504 16 residues pruned to eliminate duplicates Z: 24 58.339 2.517 1.013 0.914 1.000 0.783 CA 1.698 24 residues pruned to eliminate duplicates Z: 23 51.978 2.565 0.747 0.928 1.000 0.955 CA 1.732 23 residues pruned to eliminate duplicates Z: 24 57.593 2.514 0.970 0.886 0.957 0.870 CB 1.829 24 residues pruned to eliminate duplicates Z: 14 45.911 2.563 1.171 0.911 1.000 0.846 CB 1.622 14 residues pruned to eliminate duplicates Z: 58 41.692 2.326 1.105 0.404 0.860 0.491 CB 1.452 33 residues pruned to eliminate duplicates Z: 14 43.847 2.566 1.320 0.827 0.923 0.615 CB 1.667 14 residues pruned to eliminate duplicates Z: 16 33.944 2.253 1.276 0.763 0.933 0.467 CB 1.450 16 residues pruned to eliminate duplicates Z: 52 43.836 2.406 0.909 0.466 0.843 0.706 CB 1.640 52 residues pruned to eliminate duplicates Z: 24 65.175 2.552 1.053 0.924 1.000 0.696 CA 1.821 24 residues pruned to eliminate duplicates Z: 16 43.768 2.366 1.154 0.869 1.000 0.800 CA 1.621 16 residues pruned to eliminate duplicates Z: 14 17.821 2.107 1.222 0.409 0.769 0.462 CB 1.510 Z: 54 45.167 2.443 1.089 0.401 0.830 0.566 CB 1.626 57 residues pruned to eliminate duplicates Z: 10 24.079 2.378 0.851 0.829 0.889 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 13 14.380 2.217 0.974 0.300 0.833 0.500 CB 1.424 13 residues pruned to eliminate duplicates Z: 11 14.081 2.182 0.664 0.831 0.900 0.800 CB 1.024 11 residues pruned to eliminate duplicates Z: 23 56.031 2.531 0.859 0.906 1.000 0.864 CA 1.806 23 residues pruned to eliminate duplicates Z: 13 16.060 1.976 0.763 0.698 0.917 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 23 70.513 2.565 1.338 0.920 1.000 0.773 CB 1.765 21 residues pruned to eliminate duplicates Z: 24 50.795 2.488 1.016 0.878 0.870 0.696 CB 1.763 24 residues pruned to eliminate duplicates Z: 40 47.228 2.372 1.312 0.389 0.897 0.564 CB 1.729 14 residues pruned to eliminate duplicates Z: 22 72.094 2.661 1.211 0.928 1.000 0.857 CA 1.873 22 residues pruned to eliminate duplicates Z: 93 80.080 2.429 1.162 0.506 0.935 0.685 CB 1.691 23 residues pruned to eliminate duplicates Z: 15 37.239 2.438 1.258 0.899 0.929 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 24 61.046 2.487 1.075 0.939 0.957 0.783 CA 1.791 24 residues pruned to eliminate duplicates Z: 35 26.247 2.348 0.947 0.347 0.824 0.471 CB 1.412 35 residues pruned to eliminate duplicates Z: 15 40.208 2.412 0.972 0.905 1.000 0.857 CA 1.608 15 residues pruned to eliminate duplicates Z: 15 32.408 2.463 1.038 0.820 0.929 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 24 61.347 2.531 1.053 0.915 1.000 0.783 CA 1.740 24 residues pruned to eliminate duplicates Z: 33 28.535 2.198 1.017 0.344 0.906 0.344 CB 1.488 33 residues pruned to eliminate duplicates Z: 28 27.309 2.345 1.140 0.328 0.889 0.519 CB 1.422 28 residues pruned to eliminate duplicates Z: 51 46.707 2.316 1.192 0.384 0.860 0.660 CB 1.711 51 residues pruned to eliminate duplicates Z: 10 9.979 1.917 1.032 0.308 0.778 0.556 CA 1.359 10 residues pruned to eliminate duplicates Z: 15 55.109 2.547 1.332 0.918 1.000 0.714 CB 1.749 15 residues pruned to eliminate duplicates Z: 23 70.997 2.589 1.222 0.926 1.000 0.818 CA 1.846 23 residues pruned to eliminate duplicates Z: 24 60.748 2.513 1.030 0.923 0.957 0.870 CA 1.824 24 residues pruned to eliminate duplicates Z: 13 35.798 2.214 1.232 0.782 1.000 0.667 CB 1.631 13 residues pruned to eliminate duplicates Z: 68 35.470 2.102 1.180 0.370 0.821 0.478 CB 1.325 68 residues pruned to eliminate duplicates Z: 70 85.048 2.505 1.248 0.591 0.957 0.754 CB 1.743 70 residues pruned to eliminate duplicates Z: 14 51.842 2.730 1.308 0.922 0.923 0.462 CB 1.739 14 residues pruned to eliminate duplicates Z: 24 61.329 2.517 1.182 0.890 0.957 0.609 CB 1.752 24 residues pruned to eliminate duplicates Z: 23 46.184 2.605 1.371 0.580 0.909 0.545 CB 1.623 22 residues pruned to eliminate duplicates Z: 24 40.058 2.485 1.232 0.581 0.870 0.609 CB 1.602 24 residues pruned to eliminate duplicates Z: 50 49.011 2.349 1.283 0.383 0.898 0.592 CB 1.646 50 residues pruned to eliminate duplicates Z: 110 91.716 2.415 1.190 0.515 0.945 0.706 CB 1.731 94 residues pruned to eliminate duplicates Z: 112 81.972 2.393 1.075 0.501 0.910 0.676 CB 1.721 112 residues pruned to eliminate duplicates Z: 49 52.431 2.381 1.245 0.404 0.917 0.604 CB 1.709 49 residues pruned to eliminate duplicates Z: 44 29.084 2.238 1.026 0.349 0.791 0.535 CB 1.458 44 residues pruned to eliminate duplicates Z: 13 32.625 2.600 0.896 0.886 0.917 0.417 CB 1.504 13 residues pruned to eliminate duplicates Z: 86 73.282 2.367 1.082 0.527 0.941 0.612 CB 1.669 86 residues pruned to eliminate duplicates Z: 25 46.975 2.539 1.065 0.637 0.958 0.500 CB 1.678 25 residues pruned to eliminate duplicates Z: 48 53.667 2.402 1.261 0.393 0.915 0.574 CB 1.763 48 residues pruned to eliminate duplicates Z: 26 21.802 2.275 1.022 0.374 0.800 0.520 CB 1.356 26 residues pruned to eliminate duplicates Z: 109 99.915 2.461 1.249 0.517 0.954 0.667 CB 1.790 109 residues pruned to eliminate duplicates Z: 171 103.934 2.437 1.177 0.486 0.894 0.635 CB 1.703 174 residues pruned to eliminate duplicates Z: 23 71.643 2.624 1.130 0.932 1.000 0.818 CA 1.908 23 residues pruned to eliminate duplicates Z: 82 86.140 2.417 1.211 0.567 0.963 0.728 CB 1.742 82 residues pruned to eliminate duplicates Z: 15 45.271 2.413 1.065 0.877 1.000 0.571 CB 1.764 15 residues pruned to eliminate duplicates Z: 103 82.587 2.360 1.086 0.537 0.931 0.627 CB 1.721 103 residues pruned to eliminate duplicates Z: 48 57.735 2.401 1.333 0.429 0.936 0.638 CB 1.729 48 residues pruned to eliminate duplicates Z: 69 84.377 2.534 1.250 0.584 0.941 0.632 CB 1.759 69 residues pruned to eliminate duplicates Z: 70 83.743 2.469 1.162 0.609 0.957 0.725 CB 1.781 70 residues pruned to eliminate duplicates Z: 9 25.748 2.351 0.798 0.896 1.000 1.000 CB 1.543 9 residues pruned to eliminate duplicates Z: 9 14.411 2.216 0.430 0.807 1.000 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 109 86.371 2.435 1.089 0.518 0.926 0.704 CB 1.733 109 residues pruned to eliminate duplicates Z: 108 93.696 2.476 1.194 0.504 0.935 0.607 CB 1.778 108 residues pruned to eliminate duplicates Z: 23 25.324 2.199 1.044 0.361 0.909 0.545 CB 1.535 23 residues pruned to eliminate duplicates Z: 38 41.950 2.333 1.176 0.491 0.919 0.541 CB 1.492 38 residues pruned to eliminate duplicates Z: 48 51.830 2.381 1.052 0.418 0.957 0.660 CB 1.761 48 residues pruned to eliminate duplicates Z: 110 89.412 2.417 1.192 0.502 0.936 0.688 CB 1.724 110 residues pruned to eliminate duplicates Z: 23 18.496 2.191 0.948 0.322 0.864 0.455 CB 1.302 23 residues pruned to eliminate duplicates Z: 82 79.000 2.417 1.093 0.571 0.951 0.691 CB 1.706 82 residues pruned to eliminate duplicates Z: 22 63.534 2.606 1.162 0.915 0.952 0.571 CB 1.826 22 residues pruned to eliminate duplicates Z: 24 55.154 2.510 0.977 0.882 0.957 0.870 CB 1.754 24 residues pruned to eliminate duplicates Z: 14 20.240 2.225 1.037 0.538 0.923 0.615 CB 1.292 Z: 111 90.710 2.423 1.170 0.517 0.945 0.673 CB 1.712 111 residues pruned to eliminate duplicates Z: 109 94.814 2.458 1.211 0.527 0.926 0.639 CB 1.766 109 residues pruned to eliminate duplicates Z: 11 16.129 2.134 0.923 0.780 0.800 0.700 CB 1.215 11 residues pruned to eliminate duplicates Z: 46 41.199 2.345 1.275 0.412 0.911 0.378 CB 1.386 46 residues pruned to eliminate duplicates Z: 37 42.215 2.328 1.334 0.533 0.917 0.556 CB 1.368 37 residues pruned to eliminate duplicates Z: 113 74.594 2.420 1.201 0.478 0.902 0.562 CB 1.501 113 residues pruned to eliminate duplicates Z: 109 85.039 2.386 1.120 0.509 0.926 0.593 CB 1.732 109 residues pruned to eliminate duplicates Z: 11 31.226 2.398 1.020 0.817 0.900 0.600 CB 1.720 11 residues pruned to eliminate duplicates Z: 76 58.386 2.481 1.185 0.441 0.800 0.573 CB 1.652 76 residues pruned to eliminate duplicates Z: 69 81.823 2.478 1.152 0.603 0.956 0.721 CB 1.765 69 residues pruned to eliminate duplicates Z: 25 37.123 2.487 0.888 0.506 0.958 0.667 CB 1.674 25 residues pruned to eliminate duplicates Z: 19 42.236 2.589 0.792 0.814 0.889 0.833 CB 1.837 19 residues pruned to eliminate duplicates Z: 35 31.421 2.220 0.788 0.449 0.912 0.676 CB 1.568 35 residues pruned to eliminate duplicates Z: 13 28.857 2.138 1.280 0.746 0.917 0.750 CA 1.496 13 residues pruned to eliminate duplicates Z: 24 69.463 2.557 1.180 0.917 1.000 0.696 CA 1.833 24 residues pruned to eliminate duplicates Z: 72 82.394 2.463 1.215 0.574 0.958 0.648 CB 1.742 72 residues pruned to eliminate duplicates Z: 111 87.092 2.411 1.201 0.508 0.927 0.682 CB 1.673 111 residues pruned to eliminate duplicates Z: 111 90.564 2.406 1.196 0.504 0.945 0.627 CB 1.722 111 residues pruned to eliminate duplicates Z: 70 78.447 2.449 1.136 0.592 0.942 0.725 CB 1.756 70 residues pruned to eliminate duplicates Z: 24 59.187 2.526 0.976 0.909 1.000 0.826 CA 1.755 24 residues pruned to eliminate duplicates Z: 23 52.461 2.524 0.810 0.904 1.000 0.773 CA 1.743 23 residues pruned to eliminate duplicates Z: 24 18.397 2.053 0.944 0.418 0.870 0.522 CB 1.204 24 residues pruned to eliminate duplicates Z: 24 64.891 2.518 1.215 0.887 0.957 0.783 CB 1.829 24 residues pruned to eliminate duplicates Z: 108 92.574 2.454 1.197 0.514 0.935 0.617 CB 1.753 108 residues pruned to eliminate duplicates Z: 22 28.378 2.235 1.057 0.428 0.905 0.571 CB 1.604 22 residues pruned to eliminate duplicates Z: 22 74.605 2.610 1.339 0.914 0.952 0.571 CA 1.981 22 residues pruned to eliminate duplicates Z: 185 104.556 2.434 1.134 0.485 0.897 0.587 CB 1.679 185 residues pruned to eliminate duplicates Z: 109 87.949 2.425 1.163 0.501 0.935 0.676 CB 1.723 109 residues pruned to eliminate duplicates Z: 53 42.078 2.292 1.104 0.415 0.885 0.673 CB 1.495 53 residues pruned to eliminate duplicates Z: 59 71.698 2.481 1.044 0.614 0.948 0.638 CB 1.757 59 residues pruned to eliminate duplicates Z: 103 103.913 2.473 1.250 0.561 0.971 0.716 CB 1.795 105 residues pruned to eliminate duplicates Z: 12 25.989 2.135 1.174 0.792 0.909 0.636 CB 1.437 12 residues pruned to eliminate duplicates Z: 108 95.911 2.437 1.228 0.527 0.944 0.701 CB 1.762 108 residues pruned to eliminate duplicates Z: 107 96.381 2.477 1.221 0.535 0.943 0.689 CB 1.743 107 residues pruned to eliminate duplicates Z: 14 19.285 2.202 1.066 0.496 0.846 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 12 30.648 2.264 1.137 0.829 0.909 0.727 CA 1.581 12 residues pruned to eliminate duplicates Z: 82 80.910 2.422 1.062 0.581 0.951 0.741 CB 1.751 82 residues pruned to eliminate duplicates Z: 13 22.478 1.954 1.024 0.817 1.000 0.750 CB 1.245 Z: 13 17.274 2.314 1.074 0.294 0.833 0.583 CB 1.571 13 residues pruned to eliminate duplicates Z: 26 43.074 2.618 1.091 0.562 0.840 0.560 CB 1.764 26 residues pruned to eliminate duplicates Z: 16 54.308 2.645 0.876 0.929 1.000 1.000 CA 1.977 16 residues pruned to eliminate duplicates Z: 14 43.614 2.560 1.442 0.842 0.923 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 15 35.934 2.525 1.099 0.825 0.929 0.571 CB 1.473 15 residues pruned to eliminate duplicates Z: 70 81.260 2.483 1.165 0.589 0.942 0.681 CB 1.774 70 residues pruned to eliminate duplicates Z: 7 9.190 2.002 0.390 0.769 1.000 0.333 CA 1.062 7 residues pruned to eliminate duplicates Z: 11 43.001 2.469 1.280 0.829 1.000 0.600 CB 1.817 11 residues pruned to eliminate duplicates Z: 108 92.070 2.434 1.215 0.513 0.935 0.617 CB 1.743 108 residues pruned to eliminate duplicates Z: 12 24.155 2.003 0.997 0.791 1.000 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 6 5.585 1.724 0.342 0.492 0.800 0.600 CA 1.360 6 residues pruned to eliminate duplicates Z: 108 91.931 2.469 1.159 0.510 0.935 0.589 CB 1.766 108 residues pruned to eliminate duplicates Z: 24 75.813 2.532 1.347 0.922 1.000 0.609 CA 1.870 24 residues pruned to eliminate duplicates Z: 15 46.542 2.448 1.344 0.878 1.000 0.786 CB 1.573 15 residues pruned to eliminate duplicates Z: 109 83.114 2.401 1.083 0.499 0.926 0.685 CB 1.728 109 residues pruned to eliminate duplicates Z: 35 37.829 2.349 1.269 0.490 0.882 0.559 CB 1.394 35 residues pruned to eliminate duplicates Z: 70 77.935 2.486 1.184 0.571 0.928 0.725 CB 1.739 70 residues pruned to eliminate duplicates Z: 8 19.010 2.435 0.540 0.897 1.000 0.857 CB 1.372 8 residues pruned to eliminate duplicates Z: 81 61.518 2.332 1.134 0.423 0.913 0.575 CB 1.641 81 residues pruned to eliminate duplicates Z: 54 48.009 2.378 1.114 0.498 0.868 0.642 CB 1.514 54 residues pruned to eliminate duplicates Z: 29 30.175 2.296 0.920 0.380 0.857 0.571 CB 1.715 29 residues pruned to eliminate duplicates Z: 33 25.447 2.192 0.974 0.344 0.812 0.438 CB 1.515 33 residues pruned to eliminate duplicates Z: 118 96.170 2.508 1.141 0.557 0.889 0.684 CB 1.763 118 residues pruned to eliminate duplicates Z: 71 82.470 2.470 1.188 0.585 0.943 0.671 CB 1.783 71 residues pruned to eliminate duplicates Z: 78 59.388 2.495 1.101 0.467 0.883 0.649 CB 1.512 78 residues pruned to eliminate duplicates Z: 13 34.248 2.178 1.363 0.733 1.000 0.667 CB 1.558 13 residues pruned to eliminate duplicates Z: 70 79.372 2.477 1.132 0.591 0.942 0.667 CB 1.762 70 residues pruned to eliminate duplicates Z: 12 28.557 2.002 1.258 0.789 1.000 0.636 CB 1.477 13 residues pruned to eliminate duplicates Z: 24 52.997 2.473 0.814 0.900 1.000 0.739 CA 1.760 24 residues pruned to eliminate duplicates Z: 49 53.428 2.407 1.276 0.402 0.896 0.521 CB 1.743 49 residues pruned to eliminate duplicates Z: 37 38.618 2.313 1.341 0.512 0.861 0.500 CB 1.364 37 residues pruned to eliminate duplicates Z: 23 30.035 2.313 1.195 0.330 0.955 0.591 CB 1.592 23 residues pruned to eliminate duplicates Z: 107 90.086 2.405 1.199 0.511 0.934 0.632 CB 1.753 107 residues pruned to eliminate duplicates Z: 186 106.866 2.438 1.164 0.495 0.924 0.605 CB 1.619 180 residues pruned to eliminate duplicates Z: 23 65.253 2.614 0.941 0.924 1.000 0.864 CA 1.925 23 residues pruned to eliminate duplicates Z: 13 11.888 2.111 0.880 0.371 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 109 85.039 2.459 1.129 0.509 0.907 0.639 CB 1.706 109 residues pruned to eliminate duplicates Z: 8 5.833 1.715 0.366 0.431 0.857 0.429 CB 1.179 8 residues pruned to eliminate duplicates Z: 51 51.141 2.372 1.222 0.400 0.880 0.620 CB 1.734 51 residues pruned to eliminate duplicates Z: 48 54.787 2.447 1.071 0.544 0.915 0.702 CB 1.651 48 residues pruned to eliminate duplicates Z: 151 102.005 2.444 1.134 0.495 0.927 0.653 CB 1.732 151 residues pruned to eliminate duplicates Z: 27 23.764 2.053 1.038 0.465 0.885 0.385 CB 1.305 16 residues pruned to eliminate duplicates Z: 51 52.145 2.359 1.260 0.407 0.940 0.540 CB 1.622 51 residues pruned to eliminate duplicates Z: 24 65.861 2.541 1.085 0.925 1.000 0.913 CA 1.818 24 residues pruned to eliminate duplicates Z: 11 28.182 2.130 0.970 0.841 1.000 0.900 CB 1.584 11 residues pruned to eliminate duplicates Z: 39 49.128 2.393 1.234 0.404 0.921 0.526 CB 1.790 39 residues pruned to eliminate duplicates Z: 26 38.442 2.427 1.269 0.385 0.920 0.720 CB 1.715 26 residues pruned to eliminate duplicates Z: 70 80.067 2.494 1.196 0.571 0.942 0.638 CB 1.745 70 residues pruned to eliminate duplicates Z: 30 23.425 2.251 1.231 0.357 0.862 0.552 CB 1.172 30 residues pruned to eliminate duplicates Z: 109 100.056 2.416 1.287 0.527 0.963 0.648 CB 1.761 110 residues pruned to eliminate duplicates Z: 23 54.920 2.577 0.778 0.923 1.000 0.955 CA 1.796 23 residues pruned to eliminate duplicates Z: 41 68.486 2.538 1.293 0.577 0.975 0.650 CB 1.771 41 residues pruned to eliminate duplicates Z: 23 45.532 2.544 0.622 0.924 0.955 0.818 CA 1.731 23 residues pruned to eliminate duplicates Z: 12 20.126 1.874 0.775 0.800 1.000 0.727 CA 1.403 12 residues pruned to eliminate duplicates Z: 108 88.112 2.410 1.169 0.516 0.944 0.645 CB 1.700 108 residues pruned to eliminate duplicates Z: 114 88.403 2.442 1.121 0.556 0.912 0.708 CB 1.668 114 residues pruned to eliminate duplicates Z: 6 13.581 2.235 1.436 0.477 0.800 0.800 CB 1.428 6 residues pruned to eliminate duplicates Z: 50 53.880 2.407 1.232 0.397 0.939 0.551 CB 1.702 50 residues pruned to eliminate duplicates Z: 70 79.319 2.455 1.150 0.574 0.957 0.710 CB 1.762 70 residues pruned to eliminate duplicates Z: 70 80.873 2.481 1.105 0.583 0.957 0.710 CB 1.799 70 residues pruned to eliminate duplicates Z: 12 25.324 1.983 1.237 0.809 0.909 0.818 CB 1.447 12 residues pruned to eliminate duplicates Z: 16 24.181 2.358 0.846 0.773 0.800 0.733 CA 1.409 16 residues pruned to eliminate duplicates Z: 139 99.430 2.457 1.155 0.536 0.935 0.638 CB 1.651 147 residues pruned to eliminate duplicates Z: 23 56.884 2.584 0.797 0.930 1.000 0.818 CA 1.826 23 residues pruned to eliminate duplicates Z: 9 4.521 1.770 0.240 0.436 0.875 0.500 CB 0.889 9 residues pruned to eliminate duplicates Z: 13 5.415 1.878 0.689 0.272 0.667 0.250 CB 0.958 Z: 73 80.177 2.383 1.202 0.601 0.944 0.653 CB 1.731 73 residues pruned to eliminate duplicates Z: 51 42.479 2.336 1.313 0.431 0.840 0.520 CB 1.421 51 residues pruned to eliminate duplicates Z: 90 72.285 2.368 1.083 0.545 0.910 0.685 CB 1.633 90 residues pruned to eliminate duplicates Z: 67 58.144 2.336 1.089 0.445 0.955 0.606 CB 1.626 67 residues pruned to eliminate duplicates Z: 111 92.106 2.411 1.219 0.512 0.945 0.600 CB 1.717 111 residues pruned to eliminate duplicates Z: 110 87.278 2.409 1.137 0.506 0.936 0.661 CB 1.725 110 residues pruned to eliminate duplicates Z: 111 84.823 2.385 1.149 0.508 0.918 0.700 CB 1.705 111 residues pruned to eliminate duplicates Z: 23 62.803 2.567 1.003 0.936 0.955 0.773 CA 1.900 23 residues pruned to eliminate duplicates Z: 9 13.736 2.395 0.855 0.421 0.750 0.750 CB 1.583 9 residues pruned to eliminate duplicates Z: 52 44.722 2.310 1.071 0.499 0.882 0.608 CB 1.486 52 residues pruned to eliminate duplicates Z: 36 29.086 2.116 1.102 0.419 0.829 0.457 CB 1.452 36 residues pruned to eliminate duplicates Z: 45 30.482 2.216 0.909 0.406 0.841 0.523 CB 1.425 55 residues pruned to eliminate duplicates Z: 10 22.271 2.174 1.055 0.847 0.889 0.778 CA 1.388 10 residues pruned to eliminate duplicates Z: 12 27.802 2.061 1.173 0.858 1.000 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 47 62.295 2.574 1.116 0.547 0.891 0.630 CB 1.807 47 residues pruned to eliminate duplicates Z: 114 90.340 2.391 1.120 0.523 0.956 0.655 CB 1.714 114 residues pruned to eliminate duplicates Z: 66 30.443 2.127 0.963 0.327 0.831 0.508 CB 1.316 68 residues pruned to eliminate duplicates Z: 40 48.026 2.363 1.255 0.399 0.923 0.590 CB 1.739 40 residues pruned to eliminate duplicates Z: 108 91.191 2.438 1.262 0.519 0.935 0.626 CB 1.678 108 residues pruned to eliminate duplicates Z: 81 51.097 2.359 1.016 0.457 0.875 0.525 CB 1.434 81 residues pruned to eliminate duplicates Z: 23 48.364 2.580 1.466 0.632 0.909 0.727 CB 1.575 23 residues pruned to eliminate duplicates Z: 16 21.295 2.240 1.248 0.425 0.800 0.733 CB 1.475 16 residues pruned to eliminate duplicates Z: 80 52.120 2.355 1.060 0.466 0.861 0.633 CB 1.454 80 residues pruned to eliminate duplicates Z: 35 21.825 2.172 0.989 0.317 0.853 0.382 CB 1.244 35 residues pruned to eliminate duplicates Z: 146 93.656 2.429 1.168 0.524 0.910 0.641 CB 1.585 146 residues pruned to eliminate duplicates Z: 50 45.069 2.317 1.154 0.367 0.898 0.571 CB 1.657 50 residues pruned to eliminate duplicates Z: 64 46.792 2.354 1.279 0.430 0.810 0.556 CB 1.461 64 residues pruned to eliminate duplicates Z: 92 54.808 2.275 1.111 0.442 0.890 0.505 CB 1.427 92 residues pruned to eliminate duplicates Z: 6 3.051 2.012 1.465 0.732 1.000 0.800 CB 0.223 Z: 48 46.408 2.325 1.012 0.417 0.915 0.681 CB 1.726 48 residues pruned to eliminate duplicates Z: 15 19.790 2.113 0.852 0.564 0.929 0.643 CB 1.368 14 residues pruned to eliminate duplicates Z: 78 67.120 2.340 1.152 0.450 0.948 0.688 CB 1.686 78 residues pruned to eliminate duplicates Z: 16 34.576 2.364 0.853 0.854 0.933 0.800 CA 1.613 16 residues pruned to eliminate duplicates Z: 36 36.787 2.391 0.972 0.451 0.886 0.686 CB 1.565 36 residues pruned to eliminate duplicates Z: 52 57.013 2.488 1.180 0.539 0.882 0.686 CB 1.605 52 residues pruned to eliminate duplicates Z: 10 17.751 1.844 1.126 0.787 0.889 0.444 CB 1.319 10 residues pruned to eliminate duplicates Z: 15 28.794 2.336 1.543 0.514 0.857 0.500 CB 1.491 15 residues pruned to eliminate duplicates Z: 6 17.548 2.247 1.639 0.482 0.800 0.800 CB 1.684 6 residues pruned to eliminate duplicates Z: 10 20.593 1.981 1.063 0.786 0.889 0.778 CB 1.469 10 residues pruned to eliminate duplicates Z: 21 54.342 2.674 0.707 0.904 0.950 0.850 CB 1.997 21 residues pruned to eliminate duplicates Z: 14 13.099 2.187 0.778 0.428 0.846 0.538 CB 1.190 14 residues pruned to eliminate duplicates Z: 20 26.234 2.266 1.110 0.425 0.947 0.684 CB 1.436 20 residues pruned to eliminate duplicates Z: 36 33.963 2.259 0.958 0.461 0.914 0.571 CB 1.478 36 residues pruned to eliminate duplicates Z: 25 29.032 2.214 1.135 0.374 0.917 0.542 CB 1.565 25 residues pruned to eliminate duplicates Z: 23 34.345 2.356 1.347 0.389 0.864 0.591 CB 1.725 23 residues pruned to eliminate duplicates Z: 46 45.077 2.364 1.195 0.406 0.867 0.600 CB 1.650 46 residues pruned to eliminate duplicates Z: 112 83.371 2.374 1.114 0.499 0.937 0.640 CB 1.685 112 residues pruned to eliminate duplicates Z: 11 24.126 2.068 0.956 0.822 0.900 0.800 CB 1.586 11 residues pruned to eliminate duplicates Z: 84 49.479 2.356 1.011 0.410 0.855 0.506 CB 1.473 84 residues pruned to eliminate duplicates Z: 12 17.752 2.123 1.044 0.496 0.909 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 50 46.384 2.298 1.027 0.406 0.918 0.592 CB 1.709 50 residues pruned to eliminate duplicates Z: 14 17.333 2.023 1.032 0.474 0.846 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 6 5.939 1.559 1.062 0.491 0.800 0.600 CB 1.043 Z: 111 85.820 2.380 1.115 0.524 0.936 0.682 CB 1.696 111 residues pruned to eliminate duplicates Z: 14 22.309 1.985 1.010 0.734 0.923 0.615 CB 1.362 14 residues pruned to eliminate duplicates Z: 115 88.599 2.405 1.204 0.560 0.939 0.649 CB 1.573 115 residues pruned to eliminate duplicates Z: 49 45.138 2.425 0.924 0.530 0.833 0.646 CB 1.626 49 residues pruned to eliminate duplicates Z: 17 33.229 2.369 1.370 0.432 0.938 0.875 CB 1.693 17 residues pruned to eliminate duplicates Z: 11 10.821 2.232 0.768 0.333 0.800 0.700 CB 1.301 11 residues pruned to eliminate duplicates Z: 8 3.966 1.659 0.129 0.473 0.714 0.429 N 1.152 Z: 62 34.981 2.291 0.916 0.394 0.820 0.557 CB 1.392 62 residues pruned to eliminate duplicates Z: 50 43.766 2.247 1.193 0.372 0.918 0.612 CB 1.585 50 residues pruned to eliminate duplicates Z: 110 86.804 2.416 1.184 0.533 0.899 0.624 CB 1.697 110 residues pruned to eliminate duplicates Z: 26 29.086 2.345 0.919 0.473 0.920 0.640 CB 1.444 26 residues pruned to eliminate duplicates Z: 13 15.734 2.116 1.067 0.361 0.833 0.583 CB 1.448 13 residues pruned to eliminate duplicates Z: 70 78.523 2.463 1.188 0.594 0.928 0.710 CB 1.729 70 residues pruned to eliminate duplicates Z: 13 34.822 2.194 1.310 0.726 1.000 0.833 CA 1.618 13 residues pruned to eliminate duplicates Z: 49 46.915 2.311 1.190 0.417 0.896 0.708 CB 1.630 49 residues pruned to eliminate duplicates Z: 47 43.099 2.423 1.099 0.392 0.913 0.543 CB 1.535 47 residues pruned to eliminate duplicates Z: 37 38.259 2.286 1.405 0.440 0.917 0.528 CB 1.346 37 residues pruned to eliminate duplicates Z: 28 61.111 2.649 1.317 0.646 0.926 0.667 CB 1.806 28 residues pruned to eliminate duplicates Z: 75 53.014 2.379 1.241 0.435 0.838 0.514 CB 1.476 75 residues pruned to eliminate duplicates Z: 15 31.721 2.357 1.318 0.426 0.929 0.571 CB 1.805 15 residues pruned to eliminate duplicates Z: 65 56.906 2.506 1.125 0.464 0.828 0.641 CB 1.674 65 residues pruned to eliminate duplicates Z: 24 65.054 2.501 1.279 0.886 0.957 0.739 CA 1.795 24 residues pruned to eliminate duplicates Z: 98 102.395 2.491 1.296 0.560 0.969 0.701 CB 1.770 98 residues pruned to eliminate duplicates Z: 8 9.643 1.913 0.628 0.473 0.857 0.429 CA 1.403 9 residues pruned to eliminate duplicates Z: 16 13.145 2.108 0.849 0.328 0.800 0.400 CB 1.314 16 residues pruned to eliminate duplicates Z: 10 14.336 2.106 1.208 0.490 0.778 0.667 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 6.110 1.655 0.494 0.782 1.000 0.667 CA 0.787 7 residues pruned to eliminate duplicates Z: 11 25.863 2.075 1.045 0.878 0.900 0.800 CA 1.554 11 residues pruned to eliminate duplicates Z: 64 48.171 2.360 1.229 0.435 0.905 0.476 CB 1.364 64 residues pruned to eliminate duplicates Z: 44 42.052 2.323 0.998 0.551 0.907 0.605 CB 1.450 44 residues pruned to eliminate duplicates Z: 21 23.020 2.166 0.980 0.453 0.850 0.450 CB 1.481 21 residues pruned to eliminate duplicates Z: 24 52.515 2.494 1.004 0.883 0.913 0.783 CA 1.735 24 residues pruned to eliminate duplicates Z: 7 4.628 1.986 0.147 0.746 0.500 0.500 CB 1.331 7 residues pruned to eliminate duplicates Z: 29 36.012 2.300 0.917 0.518 0.929 0.679 CB 1.634 29 residues pruned to eliminate duplicates Z: 13 8.217 2.002 0.203 0.300 0.750 0.583 CB 1.642 13 residues pruned to eliminate duplicates Z: 7 13.390 2.028 0.423 0.797 1.000 0.667 CB 1.460 7 residues pruned to eliminate duplicates Z: 91 83.300 2.420 1.125 0.530 0.933 0.644 CB 1.777 91 residues pruned to eliminate duplicates Z: 26 21.526 2.192 1.127 0.380 0.840 0.520 CB 1.250 26 residues pruned to eliminate duplicates Z: 49 29.770 2.158 1.102 0.417 0.833 0.521 CB 1.240 27 residues pruned to eliminate duplicates Z: 108 89.487 2.443 1.179 0.510 0.925 0.589 CB 1.738 108 residues pruned to eliminate duplicates Z: 10 3.231 1.564 0.628 0.129 0.667 0.111 CB 1.009 10 residues pruned to eliminate duplicates Z: 24 38.723 2.522 1.137 0.616 0.826 0.565 CB 1.625 24 residues pruned to eliminate duplicates Z: 39 47.427 2.323 1.141 0.581 0.947 0.684 CB 1.510 39 residues pruned to eliminate duplicates Z: 49 53.959 2.398 1.167 0.381 0.938 0.646 CB 1.816 49 residues pruned to eliminate duplicates Z: 6 3.872 1.897 -0.273 0.575 1.000 0.800 CB 1.168 Z: 19 8.608 1.989 0.386 0.229 0.833 0.389 CB 1.213 19 residues pruned to eliminate duplicates Z: 64 50.856 2.391 1.173 0.438 0.889 0.556 CB 1.480 64 residues pruned to eliminate duplicates Z: 23 9.512 1.887 0.408 0.221 0.773 0.500 CB 1.369 23 residues pruned to eliminate duplicates Z: 10 10.282 1.647 0.770 0.762 0.889 0.667 CB 1.048 10 residues pruned to eliminate duplicates Z: 109 88.336 2.423 1.140 0.510 0.954 0.667 CB 1.702 109 residues pruned to eliminate duplicates Z: 60 75.628 2.473 1.083 0.639 0.966 0.627 CB 1.738 60 residues pruned to eliminate duplicates Z: 8 13.165 1.866 0.661 0.815 0.857 0.714 CB 1.425 8 residues pruned to eliminate duplicates Z: 49 56.055 2.433 1.107 0.584 0.896 0.646 CB 1.626 49 residues pruned to eliminate duplicates Z: 6 11.355 2.068 0.570 0.482 1.000 0.800 O 1.593 Z: 20 27.293 2.221 1.234 0.433 0.895 0.526 CB 1.512 20 residues pruned to eliminate duplicates Z: 46 67.908 2.486 1.208 0.656 0.911 0.689 CB 1.752 46 residues pruned to eliminate duplicates Z: 6 8.176 1.754 0.418 0.789 1.000 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 12 16.694 2.302 0.988 0.398 0.818 0.636 CB 1.496 12 residues pruned to eliminate duplicates Z: 23 60.428 2.509 1.202 0.921 0.955 0.682 CB 1.720 23 residues pruned to eliminate duplicates Z: 12 11.280 2.008 0.477 0.478 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 25 36.267 2.352 1.085 0.632 0.917 0.583 CB 1.454 25 residues pruned to eliminate duplicates Z: 11 25.126 2.122 1.502 0.775 0.800 0.400 CB 1.468 11 residues pruned to eliminate duplicates Z: 10 37.745 2.418 1.349 0.898 1.000 0.778 CB 1.584 10 residues pruned to eliminate duplicates Z: 51 48.166 2.352 1.123 0.385 0.900 0.600 CB 1.714 51 residues pruned to eliminate duplicates Z: 12 12.686 1.907 0.863 0.369 0.818 0.455 CB 1.515 12 residues pruned to eliminate duplicates Z: 42 42.773 2.269 1.233 0.398 0.902 0.634 CB 1.626 42 residues pruned to eliminate duplicates Z: 37 29.450 2.124 1.096 0.471 0.889 0.528 CB 1.277 37 residues pruned to eliminate duplicates Z: 7 2.532 1.888 0.639 0.315 0.667 0.333 CB 0.615 Z: 109 93.480 2.427 1.199 0.525 0.935 0.685 CB 1.759 109 residues pruned to eliminate duplicates Z: 36 45.472 2.333 1.385 0.503 0.914 0.543 CB 1.506 36 residues pruned to eliminate duplicates Z: 16 19.617 2.303 1.012 0.420 0.867 0.733 CB 1.370 16 residues pruned to eliminate duplicates Z: 6 2.795 1.515 0.193 0.574 1.000 0.600 CB 0.644 Z: 11 8.589 2.067 0.378 0.430 0.800 0.400 CB 1.281 11 residues pruned to eliminate duplicates Z: 58 49.426 2.393 0.976 0.476 0.895 0.614 CB 1.586 58 residues pruned to eliminate duplicates Z: 30 35.414 2.313 1.163 0.379 0.897 0.586 CB 1.669 30 residues pruned to eliminate duplicates Z: 15 41.033 2.433 1.105 0.851 1.000 0.571 CA 1.584 15 residues pruned to eliminate duplicates Z: 12 13.209 1.713 0.919 0.797 1.000 0.727 CB 0.934 12 residues pruned to eliminate duplicates Z: 45 36.154 2.338 0.898 0.380 0.886 0.545 CB 1.574 45 residues pruned to eliminate duplicates Z: 15 23.824 2.354 0.960 0.423 0.929 0.786 CB 1.609 15 residues pruned to eliminate duplicates Z: 53 46.383 2.440 1.006 0.422 0.885 0.635 CB 1.611 53 residues pruned to eliminate duplicates Z: 8 10.675 1.873 1.037 0.582 0.857 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 38 40.250 2.292 0.927 0.452 0.919 0.541 CB 1.714 38 residues pruned to eliminate duplicates Z: 102 89.396 2.425 1.113 0.539 0.960 0.644 CB 1.739 102 residues pruned to eliminate duplicates Z: 51 57.594 2.335 1.142 0.528 0.960 0.620 CB 1.650 51 residues pruned to eliminate duplicates Z: 14 17.440 2.315 1.017 0.299 0.769 0.538 CB 1.686 14 residues pruned to eliminate duplicates Z: 11 3.805 1.587 0.306 0.342 0.800 0.500 CB 0.862 6 0.597 1.881 0.387 0.479 0.800 0.800 CB 0.131 ? Z: 35 42.732 2.308 1.298 0.549 0.912 0.588 CB 1.445 35 residues pruned to eliminate duplicates Z: 10 18.338 2.183 0.579 0.853 1.000 0.667 CA 1.311 10 residues pruned to eliminate duplicates Z: 11 21.741 2.238 0.700 0.824 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 34 49.582 2.394 1.167 0.601 0.939 0.697 CB 1.608 34 residues pruned to eliminate duplicates Z: 109 98.500 2.457 1.278 0.519 0.944 0.630 CB 1.760 109 residues pruned to eliminate duplicates Z: 82 77.141 2.429 1.097 0.547 0.951 0.728 CB 1.690 82 residues pruned to eliminate duplicates Z: 102 98.923 2.470 1.227 0.547 0.950 0.653 CB 1.798 102 residues pruned to eliminate duplicates Z: 68 45.451 2.331 0.973 0.480 0.851 0.567 CB 1.448 68 residues pruned to eliminate duplicates Z: 7 8.600 2.005 0.276 0.735 0.833 0.333 CB 1.334 7 residues pruned to eliminate duplicates Z: 29 33.658 2.265 0.865 0.472 0.929 0.643 CB 1.668 29 residues pruned to eliminate duplicates Z: 6 3.156 1.290 0.611 0.275 1.000 0.600 C 0.876 Z: 50 54.050 2.422 1.088 0.573 0.878 0.612 CB 1.621 50 residues pruned to eliminate duplicates Z: 114 72.046 2.442 1.166 0.466 0.858 0.531 CB 1.545 114 residues pruned to eliminate duplicates Z: 11 14.566 2.333 0.892 0.438 0.700 0.500 CB 1.589 11 residues pruned to eliminate duplicates Z: 97 59.338 2.406 1.140 0.424 0.875 0.583 CB 1.454 97 residues pruned to eliminate duplicates Z: 6 5.162 1.481 -0.014 0.807 1.000 0.600 O 1.210 Z: 26 26.885 2.058 1.212 0.543 0.920 0.520 CB 1.231 26 residues pruned to eliminate duplicates Z: 13 11.205 2.013 0.842 0.290 0.917 0.500 CB 1.205 13 residues pruned to eliminate duplicates Z: 75 72.688 2.359 1.183 0.542 0.919 0.649 CB 1.714 75 residues pruned to eliminate duplicates Z: 15 14.582 1.964 0.980 0.329 0.857 0.643 CB 1.410 Z: 8 7.160 1.658 1.143 0.224 0.857 0.571 CA 1.227 Z: 12 8.712 1.894 0.700 0.306 0.727 0.545 CB 1.392 12 residues pruned to eliminate duplicates Z: 12 29.826 2.380 1.038 0.795 0.909 0.636 CA 1.575 12 residues pruned to eliminate duplicates Z: 35 25.884 2.235 1.129 0.333 0.882 0.618 CB 1.268 35 residues pruned to eliminate duplicates Z: 100 85.313 2.409 1.194 0.530 0.939 0.636 CB 1.677 100 residues pruned to eliminate duplicates Z: 59 46.229 2.264 1.126 0.395 0.897 0.603 CB 1.572 59 residues pruned to eliminate duplicates Z: 53 48.256 2.260 1.128 0.390 0.904 0.654 CB 1.730 53 residues pruned to eliminate duplicates Z: 15 9.033 2.014 0.473 0.358 0.786 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 105 99.190 2.435 1.334 0.546 0.952 0.692 CB 1.719 105 residues pruned to eliminate duplicates Z: 28 45.604 2.522 1.284 0.526 0.926 0.593 CB 1.604 28 residues pruned to eliminate duplicates Z: 6 2.417 1.529 -0.132 0.266 1.000 0.600 CB 1.062 Z: 40 28.154 2.107 1.021 0.466 0.872 0.538 CB 1.257 55 residues pruned to eliminate duplicates Z: 15 14.872 2.094 0.855 0.356 0.857 0.571 CB 1.395 15 residues pruned to eliminate duplicates Z: 9 12.962 2.020 1.183 0.421 0.750 0.625 CA 1.505 9 residues pruned to eliminate duplicates Z: 66 75.032 2.374 1.139 0.581 0.985 0.615 CB 1.722 66 residues pruned to eliminate duplicates Z: 14 19.803 2.304 0.879 0.436 0.846 0.538 CB 1.602 14 residues pruned to eliminate duplicates Z: 35 46.644 2.379 1.300 0.453 0.912 0.588 CB 1.683 35 residues pruned to eliminate duplicates Z: 26 21.423 1.972 0.869 0.502 0.920 0.560 CB 1.261 26 residues pruned to eliminate duplicates Z: 40 36.478 2.266 1.025 0.499 0.872 0.436 CB 1.461 40 residues pruned to eliminate duplicates Z: 7 2.541 1.451 0.628 0.494 0.500 0.333 CB 0.883 Z: 6 13.844 2.350 0.927 0.507 0.800 0.600 CA 1.697 6 residues pruned to eliminate duplicates Z: 10 10.538 1.660 0.646 0.735 0.778 0.556 C 1.338 10 residues pruned to eliminate duplicates Z: 12 6.512 1.900 0.525 0.391 0.727 0.455 CB 1.045 12 residues pruned to eliminate duplicates Z: 124 96.245 2.411 1.194 0.563 0.927 0.650 CB 1.666 124 residues pruned to eliminate duplicates Z: 50 33.077 2.157 1.156 0.418 0.878 0.571 CB 1.262 43 residues pruned to eliminate duplicates Z: 27 45.375 2.515 1.418 0.389 0.923 0.577 CB 1.784 27 residues pruned to eliminate duplicates Z: 19 13.671 1.907 0.703 0.209 0.889 0.556 CB 1.574 19 residues pruned to eliminate duplicates Z: 36 29.635 2.129 1.027 0.435 0.886 0.600 CB 1.402 36 residues pruned to eliminate duplicates Z: 8 9.537 2.158 0.853 0.351 0.714 0.571 CA 1.483 8 residues pruned to eliminate duplicates Z: 7 3.945 1.662 0.533 0.358 0.833 0.333 CB 0.884 Z: 28 23.285 2.108 1.044 0.347 0.889 0.704 CB 1.381 28 residues pruned to eliminate duplicates Z: 50 54.377 2.434 1.116 0.558 0.918 0.694 CB 1.552 50 residues pruned to eliminate duplicates Z: 8 15.692 1.799 0.744 0.755 1.000 0.286 CB 1.506 8 residues pruned to eliminate duplicates Z: 11 21.709 2.022 1.102 0.785 0.900 0.700 CB 1.397 11 residues pruned to eliminate duplicates Z: 61 82.214 2.457 1.249 0.629 0.967 0.683 CB 1.759 61 residues pruned to eliminate duplicates 6 1.222 1.508 -0.276 0.423 1.000 0.600 CB 0.542 ? Z: 7 9.560 1.634 1.198 0.393 1.000 0.500 N 1.216 Z: 12 14.226 1.935 0.791 0.675 0.818 0.455 CB 1.287 12 residues pruned to eliminate duplicates Z: 11 8.908 2.179 0.666 0.247 0.800 0.400 CB 1.299 11 residues pruned to eliminate duplicates Z: 109 92.327 2.456 1.178 0.518 0.935 0.685 CB 1.745 109 residues pruned to eliminate duplicates Z: 7 2.296 1.185 0.352 0.413 1.000 0.500 N 0.641 Z: 36 38.007 2.183 1.236 0.545 0.914 0.600 CB 1.378 23 residues pruned to eliminate duplicates Z: 12 14.335 2.033 0.723 0.457 0.909 0.455 CB 1.418 12 residues pruned to eliminate duplicates Z: 12 30.786 2.162 1.282 0.780 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 12 4.499 1.730 0.772 0.117 0.636 0.273 CB 1.127 12 residues pruned to eliminate duplicates Z: 90 78.998 2.342 1.110 0.545 0.955 0.719 CB 1.697 90 residues pruned to eliminate duplicates Z: 24 26.106 2.070 0.976 0.440 0.913 0.565 CB 1.551 24 residues pruned to eliminate duplicates Z: 33 23.239 2.133 0.914 0.311 0.812 0.531 CB 1.528 33 residues pruned to eliminate duplicates 432 residues left after pruning, divided into chains as follows: A: 220 B: 198 C: 14 CC for partial structure against native data = 45.03 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.779, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.898, Connect. = 0.805 for dens.mod. cycle 2 = 0.300, Contrast = 1.111, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.144, Connect. = 0.830 for dens.mod. cycle 4 = 0.300, Contrast = 1.171, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.177, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.185, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.186, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.188, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.187, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2702 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 66.741 2.672 0.954 0.915 1.000 0.818 CA 1.926 B: 23 76.237 2.682 1.162 0.930 1.000 0.818 CA 1.961 23 residues pruned to eliminate duplicates C: 80 64.148 2.554 1.088 0.454 0.873 0.620 CB 1.624 D: 182 115.199 2.519 1.126 0.491 0.928 0.624 CB 1.738 80 residues pruned to eliminate duplicates E: 24 53.890 2.546 0.661 0.929 1.000 0.957 CA 1.859 24 residues pruned to eliminate duplicates F: 19 54.389 2.577 1.127 0.865 0.889 0.667 CA 1.928 19 residues pruned to eliminate duplicates G: 72 54.922 2.452 1.146 0.427 0.873 0.577 CB 1.530 34 residues pruned to eliminate duplicates H: 24 61.830 2.607 0.908 0.922 1.000 0.826 CA 1.823 24 residues pruned to eliminate duplicates I: 24 52.864 2.557 0.680 0.913 0.957 0.870 CA 1.899 24 residues pruned to eliminate duplicates J: 23 55.449 2.604 0.775 0.899 1.000 0.818 CA 1.828 23 residues pruned to eliminate duplicates K: 21 71.652 2.785 0.954 0.932 1.000 1.000 CA 2.057 21 residues pruned to eliminate duplicates L: 23 62.282 2.684 0.824 0.928 1.000 0.909 CA 1.899 23 residues pruned to eliminate duplicates M: 13 52.798 2.666 1.195 0.840 1.000 0.833 CA 1.944 13 residues pruned to eliminate duplicates N: 15 43.856 2.493 1.222 0.833 1.000 0.714 CB 1.587 15 residues pruned to eliminate duplicates O: 23 64.430 2.644 0.892 0.900 1.000 0.864 CA 1.962 23 residues pruned to eliminate duplicates P: 24 64.174 2.651 1.062 0.878 0.957 0.696 CA 1.858 24 residues pruned to eliminate duplicates Q: 17 21.926 2.332 1.009 0.294 0.938 0.438 CB 1.573 17 residues pruned to eliminate duplicates R: 14 50.111 2.643 1.499 0.862 0.923 0.846 CA 1.675 S: 24 52.640 2.520 0.747 0.926 0.957 0.957 CA 1.828 24 residues pruned to eliminate duplicates T: 24 68.417 2.603 1.045 0.901 1.000 0.826 CA 1.913 24 residues pruned to eliminate duplicates U: 14 52.079 2.581 1.277 0.901 1.000 0.846 CA 1.755 14 residues pruned to eliminate duplicates V: 16 40.741 2.370 1.077 0.884 0.933 0.867 CB 1.654 16 residues pruned to eliminate duplicates W: 24 64.197 2.576 0.976 0.919 1.000 0.739 CA 1.853 24 residues pruned to eliminate duplicates X: 15 42.531 2.475 1.077 0.916 1.000 0.857 CB 1.562 15 residues pruned to eliminate duplicates Y: 24 77.751 2.583 1.327 0.919 1.000 0.826 CA 1.901 24 residues pruned to eliminate duplicates Z: 23 52.166 2.607 0.614 0.925 1.000 0.909 CA 1.856 23 residues pruned to eliminate duplicates Z: 16 38.718 2.426 1.204 0.890 0.867 0.733 CB 1.552 16 residues pruned to eliminate duplicates Z: 24 68.165 2.639 1.118 0.876 0.957 0.696 CA 1.932 24 residues pruned to eliminate duplicates Z: 24 67.870 2.625 1.025 0.937 1.000 0.696 CA 1.852 24 residues pruned to eliminate duplicates Z: 24 57.063 2.609 0.724 0.903 1.000 0.870 CA 1.885 24 residues pruned to eliminate duplicates Z: 64 43.125 2.397 0.974 0.420 0.873 0.508 CB 1.430 64 residues pruned to eliminate duplicates Z: 24 66.045 2.564 1.078 0.919 1.000 0.739 CB 1.822 24 residues pruned to eliminate duplicates Z: 24 63.121 2.542 1.117 0.887 0.957 0.826 CA 1.843 24 residues pruned to eliminate duplicates Z: 26 28.127 2.468 0.889 0.393 0.880 0.520 CB 1.535 26 residues pruned to eliminate duplicates Z: 24 47.435 2.600 0.604 0.876 0.957 0.826 CA 1.802 24 residues pruned to eliminate duplicates Z: 23 68.493 2.625 1.063 0.911 1.000 0.727 CA 1.911 23 residues pruned to eliminate duplicates Z: 15 48.228 2.500 1.129 0.844 1.000 0.714 CA 1.801 15 residues pruned to eliminate duplicates Z: 24 63.511 2.548 1.001 0.937 0.957 0.696 CB 1.889 24 residues pruned to eliminate duplicates Z: 48 43.561 2.481 0.881 0.351 0.915 0.532 CB 1.749 48 residues pruned to eliminate duplicates Z: 15 40.318 2.489 1.048 0.924 1.000 0.786 CB 1.484 15 residues pruned to eliminate duplicates Z: 24 62.775 2.613 1.080 0.886 0.957 0.696 CB 1.816 24 residues pruned to eliminate duplicates Z: 51 49.634 2.550 1.004 0.438 0.860 0.640 CB 1.703 51 residues pruned to eliminate duplicates Z: 24 31.245 2.455 1.114 0.345 0.870 0.696 CB 1.707 Z: 16 29.214 2.349 0.762 0.902 0.933 0.667 CB 1.393 16 residues pruned to eliminate duplicates Z: 34 31.834 2.357 0.861 0.474 0.909 0.727 CB 1.426 Z: 54 45.081 2.416 0.973 0.522 0.830 0.660 CB 1.530 52 residues pruned to eliminate duplicates Z: 13 34.885 2.291 0.974 0.824 1.000 0.917 CB 1.682 13 residues pruned to eliminate duplicates Z: 24 72.036 2.569 1.171 0.933 1.000 0.696 CB 1.880 24 residues pruned to eliminate duplicates Z: 35 32.825 2.435 0.868 0.354 0.882 0.441 CB 1.642 35 residues pruned to eliminate duplicates Z: 24 61.543 2.466 1.034 0.933 0.957 0.826 CA 1.866 24 residues pruned to eliminate duplicates Z: 109 93.988 2.540 1.070 0.504 0.926 0.648 CB 1.850 57 residues pruned to eliminate duplicates Z: 62 49.334 2.495 1.161 0.398 0.852 0.525 CB 1.529 62 residues pruned to eliminate duplicates Z: 28 36.817 2.481 0.953 0.368 0.926 0.704 CB 1.819 28 residues pruned to eliminate duplicates Z: 16 44.171 2.428 1.192 0.883 0.933 0.800 CB 1.661 16 residues pruned to eliminate duplicates Z: 63 37.486 2.204 0.979 0.412 0.871 0.548 CB 1.374 Z: 108 86.076 2.507 1.004 0.513 0.935 0.692 CB 1.750 108 residues pruned to eliminate duplicates Z: 22 72.542 2.691 1.056 0.925 1.000 0.810 CB 2.007 22 residues pruned to eliminate duplicates Z: 11 15.189 2.236 0.269 0.767 0.900 0.800 CB 1.484 11 residues pruned to eliminate duplicates Z: 49 56.088 2.510 1.260 0.387 0.875 0.625 CB 1.840 50 residues pruned to eliminate duplicates Z: 40 51.786 2.502 1.078 0.390 0.949 0.436 CB 1.889 39 residues pruned to eliminate duplicates Z: 44 50.660 2.607 0.947 0.532 0.860 0.651 CB 1.714 44 residues pruned to eliminate duplicates Z: 109 95.625 2.556 1.053 0.501 0.926 0.648 CB 1.892 99 residues pruned to eliminate duplicates Z: 39 47.631 2.489 1.002 0.385 0.921 0.553 CB 1.902 39 residues pruned to eliminate duplicates Z: 11 15.986 2.198 0.496 0.823 1.000 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 16 40.179 2.403 1.075 0.878 0.933 0.600 CB 1.618 16 residues pruned to eliminate duplicates Z: 48 49.081 2.441 1.071 0.401 0.894 0.574 CB 1.758 48 residues pruned to eliminate duplicates Z: 108 86.016 2.482 1.006 0.518 0.925 0.645 CB 1.772 108 residues pruned to eliminate duplicates Z: 105 93.276 2.530 1.028 0.526 0.962 0.663 CB 1.807 105 residues pruned to eliminate duplicates Z: 50 44.324 2.335 1.003 0.372 0.939 0.673 CB 1.654 50 residues pruned to eliminate duplicates Z: 39 58.202 2.503 1.299 0.417 0.947 0.579 CB 1.889 40 residues pruned to eliminate duplicates Z: 107 102.785 2.576 1.164 0.525 0.943 0.642 CB 1.852 108 residues pruned to eliminate duplicates Z: 15 41.850 2.425 0.978 0.847 1.000 0.643 CA 1.731 15 residues pruned to eliminate duplicates Z: 69 83.012 2.560 1.070 0.585 0.971 0.735 CB 1.805 69 residues pruned to eliminate duplicates Z: 6 7.795 1.790 1.099 0.492 0.800 0.600 CB 1.169 6 residues pruned to eliminate duplicates Z: 60 96.770 2.606 1.229 0.653 0.983 0.712 CB 1.913 60 residues pruned to eliminate duplicates Z: 26 22.534 2.276 0.946 0.337 0.840 0.480 CB 1.448 27 residues pruned to eliminate duplicates Z: 112 73.778 2.500 1.076 0.461 0.883 0.514 CB 1.590 112 residues pruned to eliminate duplicates Z: 103 102.847 2.564 1.090 0.548 0.961 0.667 CB 1.888 108 residues pruned to eliminate duplicates Z: 50 56.248 2.491 1.077 0.410 0.918 0.653 CB 1.858 50 residues pruned to eliminate duplicates Z: 52 47.784 2.402 1.055 0.362 0.922 0.588 CB 1.707 52 residues pruned to eliminate duplicates Z: 12 34.290 2.239 1.132 0.796 1.000 0.636 CB 1.671 12 residues pruned to eliminate duplicates Z: 49 46.314 2.389 1.037 0.382 0.896 0.667 CB 1.739 49 residues pruned to eliminate duplicates Z: 38 42.852 2.380 0.954 0.489 0.865 0.676 CB 1.770 38 residues pruned to eliminate duplicates Z: 17 32.939 2.243 1.083 0.857 1.000 0.562 CB 1.299 17 residues pruned to eliminate duplicates Z: 82 78.892 2.483 1.035 0.571 0.926 0.704 CB 1.749 82 residues pruned to eliminate duplicates Z: 65 50.957 2.428 1.032 0.463 0.844 0.562 CB 1.589 115 residues pruned to eliminate duplicates Z: 22 67.715 2.698 0.955 0.922 1.000 0.810 CB 1.971 22 residues pruned to eliminate duplicates Z: 25 34.703 2.462 0.992 0.474 0.875 0.500 CB 1.694 25 residues pruned to eliminate duplicates Z: 70 87.401 2.567 1.007 0.614 0.971 0.681 CB 1.888 65 residues pruned to eliminate duplicates Z: 12 19.283 2.010 0.756 0.836 0.909 0.636 CA 1.356 Z: 108 87.111 2.504 1.071 0.502 0.935 0.682 CB 1.734 108 residues pruned to eliminate duplicates Z: 24 68.917 2.629 1.083 0.927 1.000 0.826 CA 1.839 24 residues pruned to eliminate duplicates Z: 69 83.490 2.553 1.117 0.586 0.971 0.721 CB 1.777 69 residues pruned to eliminate duplicates Z: 60 67.729 2.474 0.905 0.620 0.932 0.763 CB 1.792 60 residues pruned to eliminate duplicates Z: 81 66.349 2.425 1.081 0.438 0.913 0.663 CB 1.717 80 residues pruned to eliminate duplicates Z: 109 88.496 2.496 1.064 0.497 0.935 0.648 CB 1.774 110 residues pruned to eliminate duplicates Z: 11 14.150 2.205 0.504 0.775 0.900 0.700 CB 1.176 11 residues pruned to eliminate duplicates Z: 23 60.884 2.658 0.854 0.928 0.955 0.682 CA 1.932 23 residues pruned to eliminate duplicates Z: 20 66.865 2.707 1.020 0.927 1.000 0.474 CA 1.966 20 residues pruned to eliminate duplicates Z: 13 46.051 2.678 1.147 0.919 1.000 0.833 CB 1.629 Z: 70 85.351 2.595 1.087 0.590 0.942 0.652 CB 1.848 70 residues pruned to eliminate duplicates Z: 13 13.054 2.159 0.685 0.349 0.833 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 14 28.856 2.315 0.660 0.854 1.000 0.769 CB 1.538 14 residues pruned to eliminate duplicates Z: 9 32.115 2.418 1.116 0.856 1.000 0.750 CB 1.636 10 residues pruned to eliminate duplicates Z: 109 95.992 2.559 1.100 0.509 0.926 0.657 CB 1.840 109 residues pruned to eliminate duplicates Z: 82 85.180 2.503 1.087 0.566 0.938 0.654 CB 1.812 82 residues pruned to eliminate duplicates Z: 39 51.213 2.477 1.185 0.398 0.921 0.579 CB 1.855 39 residues pruned to eliminate duplicates Z: 38 51.644 2.492 1.101 0.419 0.946 0.649 CB 1.866 38 residues pruned to eliminate duplicates Z: 90 96.257 2.605 1.098 0.584 0.966 0.618 CB 1.781 83 residues pruned to eliminate duplicates Z: 24 50.979 2.481 0.786 0.918 1.000 0.783 CA 1.692 24 residues pruned to eliminate duplicates Z: 72 70.446 2.466 0.969 0.551 0.915 0.620 CB 1.790 72 residues pruned to eliminate duplicates Z: 23 50.491 2.594 0.633 0.904 0.955 0.864 CA 1.897 23 residues pruned to eliminate duplicates Z: 38 32.369 2.166 0.993 0.474 0.919 0.595 CB 1.377 38 residues pruned to eliminate duplicates Z: 43 53.090 2.534 0.989 0.532 0.905 0.571 CB 1.741 43 residues pruned to eliminate duplicates Z: 11 35.825 2.386 0.942 0.859 1.000 0.900 CA 1.798 11 residues pruned to eliminate duplicates Z: 108 89.278 2.506 1.098 0.509 0.916 0.701 CB 1.777 108 residues pruned to eliminate duplicates Z: 8 15.730 2.300 0.322 0.841 1.000 0.857 CB 1.458 8 residues pruned to eliminate duplicates Z: 13 25.765 2.265 1.152 0.720 0.833 0.583 CA 1.501 13 residues pruned to eliminate duplicates Z: 62 55.458 2.452 0.974 0.477 0.885 0.639 CB 1.697 62 residues pruned to eliminate duplicates Z: 13 28.194 2.228 0.966 0.812 1.000 0.500 CB 1.417 13 residues pruned to eliminate duplicates Z: 6 10.801 2.230 0.502 0.780 0.800 0.800 CA 1.409 6 residues pruned to eliminate duplicates Z: 24 54.486 2.592 0.929 0.884 0.957 0.739 CB 1.717 24 residues pruned to eliminate duplicates Z: 15 35.359 2.486 1.117 0.901 0.857 0.429 CB 1.495 15 residues pruned to eliminate duplicates Z: 74 39.673 2.204 0.954 0.417 0.849 0.479 CB 1.384 62 residues pruned to eliminate duplicates Z: 82 74.787 2.484 0.962 0.559 0.914 0.728 CB 1.762 82 residues pruned to eliminate duplicates Z: 65 66.258 2.496 0.865 0.589 0.938 0.625 CB 1.743 65 residues pruned to eliminate duplicates Z: 106 85.613 2.509 1.042 0.517 0.905 0.724 CB 1.772 106 residues pruned to eliminate duplicates Z: 107 89.677 2.517 1.059 0.548 0.906 0.670 CB 1.771 107 residues pruned to eliminate duplicates Z: 107 86.498 2.475 1.042 0.506 0.934 0.689 CB 1.769 107 residues pruned to eliminate duplicates Z: 15 44.023 2.538 0.747 0.903 1.000 0.786 CA 1.891 15 residues pruned to eliminate duplicates Z: 109 89.294 2.502 1.103 0.521 0.907 0.685 CB 1.762 109 residues pruned to eliminate duplicates Z: 82 86.701 2.514 1.039 0.577 0.963 0.642 CB 1.811 82 residues pruned to eliminate duplicates Z: 41 76.663 2.612 1.154 0.681 0.950 0.700 CB 1.920 41 residues pruned to eliminate duplicates Z: 70 76.157 2.535 0.950 0.567 0.942 0.710 CB 1.846 70 residues pruned to eliminate duplicates Z: 11 28.710 2.178 0.920 0.863 1.000 0.700 CB 1.594 11 residues pruned to eliminate duplicates Z: 70 87.247 2.593 1.099 0.585 0.971 0.710 CB 1.833 70 residues pruned to eliminate duplicates Z: 101 83.319 2.497 1.069 0.542 0.910 0.670 CB 1.701 101 residues pruned to eliminate duplicates Z: 12 15.389 2.110 0.535 0.805 0.909 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 78 64.103 2.571 0.990 0.466 0.883 0.571 CB 1.675 78 residues pruned to eliminate duplicates Z: 25 47.897 2.593 1.079 0.636 0.917 0.708 CB 1.741 25 residues pruned to eliminate duplicates Z: 71 74.415 2.547 0.947 0.559 0.943 0.657 CB 1.797 71 residues pruned to eliminate duplicates Z: 12 12.729 2.031 0.351 0.815 0.818 0.818 CA 1.300 12 residues pruned to eliminate duplicates Z: 14 29.529 2.150 1.037 0.763 1.000 0.769 CA 1.481 14 residues pruned to eliminate duplicates Z: 108 88.627 2.487 1.004 0.525 0.935 0.654 CB 1.793 108 residues pruned to eliminate duplicates Z: 23 29.681 2.314 0.923 0.427 0.864 0.545 CB 1.776 23 residues pruned to eliminate duplicates Z: 25 69.842 2.536 1.222 0.898 0.958 0.542 CA 1.888 25 residues pruned to eliminate duplicates Z: 108 92.387 2.500 1.050 0.527 0.935 0.654 CB 1.817 108 residues pruned to eliminate duplicates Z: 110 90.792 2.489 1.047 0.520 0.936 0.642 CB 1.788 110 residues pruned to eliminate duplicates Z: 106 92.607 2.510 1.113 0.528 0.914 0.600 CB 1.813 106 residues pruned to eliminate duplicates Z: 24 63.128 2.629 0.914 0.912 1.000 0.739 CA 1.852 24 residues pruned to eliminate duplicates Z: 27 31.908 2.230 0.976 0.563 0.923 0.615 CB 1.447 28 residues pruned to eliminate duplicates Z: 28 22.372 2.229 0.895 0.343 0.889 0.481 CB 1.360 28 residues pruned to eliminate duplicates Z: 70 85.114 2.575 1.042 0.598 0.942 0.638 CB 1.884 70 residues pruned to eliminate duplicates Z: 22 62.350 2.602 0.922 0.911 1.000 0.857 CA 1.929 22 residues pruned to eliminate duplicates Z: 9 9.374 1.992 1.304 0.314 0.750 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 34 42.274 2.460 1.318 0.504 0.879 0.606 CB 1.463 34 residues pruned to eliminate duplicates Z: 15 45.731 2.526 1.217 0.918 1.000 0.786 CB 1.539 15 residues pruned to eliminate duplicates Z: 24 64.857 2.621 1.003 0.905 1.000 0.696 CA 1.833 24 residues pruned to eliminate duplicates Z: 32 32.250 2.344 1.024 0.367 0.871 0.645 CB 1.617 32 residues pruned to eliminate duplicates Z: 9 13.331 2.383 0.402 0.546 1.000 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 12 34.350 2.459 1.124 0.787 0.909 0.727 CA 1.696 12 residues pruned to eliminate duplicates Z: 58 83.397 2.596 1.125 0.648 0.947 0.667 CB 1.841 58 residues pruned to eliminate duplicates Z: 108 94.802 2.537 1.081 0.517 0.916 0.673 CB 1.864 108 residues pruned to eliminate duplicates Z: 70 83.744 2.560 1.058 0.603 0.928 0.768 CB 1.870 70 residues pruned to eliminate duplicates Z: 108 100.853 2.543 1.192 0.514 0.925 0.617 CB 1.864 108 residues pruned to eliminate duplicates Z: 27 41.579 2.666 0.920 0.551 0.846 0.692 CB 1.791 27 residues pruned to eliminate duplicates Z: 96 86.837 2.514 1.060 0.558 0.916 0.579 CB 1.775 96 residues pruned to eliminate duplicates Z: 69 93.711 2.617 1.163 0.601 0.971 0.735 CB 1.879 69 residues pruned to eliminate duplicates Z: 109 95.523 2.551 1.084 0.509 0.917 0.704 CB 1.869 109 residues pruned to eliminate duplicates Z: 6 5.556 1.960 0.591 0.277 0.800 0.600 CB 1.282 Z: 49 47.296 2.407 1.003 0.405 0.896 0.625 CB 1.747 49 residues pruned to eliminate duplicates Z: 23 60.516 2.630 0.797 0.923 0.955 0.727 CB 2.009 23 residues pruned to eliminate duplicates Z: 9 3.039 1.679 0.365 0.356 0.625 0.375 CB 0.876 9 residues pruned to eliminate duplicates Z: 109 93.473 2.511 1.114 0.486 0.935 0.630 CB 1.839 109 residues pruned to eliminate duplicates Z: 12 22.033 2.058 0.795 0.786 1.000 0.818 CB 1.399 12 residues pruned to eliminate duplicates Z: 26 28.291 2.208 0.965 0.540 0.880 0.600 CB 1.425 26 residues pruned to eliminate duplicates Z: 6 10.652 1.774 0.944 0.700 0.800 0.800 CA 1.439 6 residues pruned to eliminate duplicates Z: 83 84.679 2.515 1.078 0.540 0.951 0.622 CB 1.809 83 residues pruned to eliminate duplicates Z: 108 85.951 2.490 1.038 0.503 0.925 0.598 CB 1.764 108 residues pruned to eliminate duplicates Z: 49 46.664 2.388 1.005 0.407 0.896 0.521 CB 1.732 49 residues pruned to eliminate duplicates Z: 70 82.220 2.547 1.124 0.600 0.942 0.638 CB 1.765 70 residues pruned to eliminate duplicates Z: 62 52.461 2.483 0.969 0.424 0.902 0.590 CB 1.648 62 residues pruned to eliminate duplicates Z: 40 29.876 2.170 0.980 0.458 0.872 0.385 CB 1.333 40 residues pruned to eliminate duplicates Z: 18 19.984 2.346 0.785 0.452 0.765 0.588 CB 1.589 8 residues pruned to eliminate duplicates Z: 103 94.687 2.530 1.077 0.533 0.922 0.637 CB 1.874 103 residues pruned to eliminate duplicates Z: 24 51.346 2.489 0.857 0.936 0.957 0.696 CB 1.687 24 residues pruned to eliminate duplicates Z: 11 16.259 2.102 0.528 0.840 0.900 0.800 CA 1.327 10 residues pruned to eliminate duplicates Z: 16 30.868 2.300 1.215 0.541 0.933 0.667 CB 1.610 16 residues pruned to eliminate duplicates Z: 71 80.566 2.500 1.076 0.563 0.957 0.714 CB 1.823 71 residues pruned to eliminate duplicates Z: 29 24.534 2.415 1.013 0.281 0.821 0.464 CB 1.487 29 residues pruned to eliminate duplicates Z: 20 37.481 2.524 1.181 0.646 0.842 0.474 CB 1.619 26 residues pruned to eliminate duplicates Z: 9 21.852 2.163 0.898 0.883 1.000 0.750 CA 1.361 9 residues pruned to eliminate duplicates Z: 71 81.157 2.510 1.078 0.579 0.957 0.586 CB 1.802 71 residues pruned to eliminate duplicates Z: 62 43.747 2.460 1.023 0.408 0.820 0.492 CB 1.513 62 residues pruned to eliminate duplicates Z: 108 100.092 2.568 1.169 0.521 0.925 0.589 CB 1.838 108 residues pruned to eliminate duplicates Z: 6 11.093 2.004 0.426 0.586 1.000 0.400 CA 1.598 6 residues pruned to eliminate duplicates Z: 108 88.238 2.504 1.047 0.505 0.935 0.654 CB 1.772 108 residues pruned to eliminate duplicates Z: 14 26.809 2.347 0.793 0.676 0.846 0.692 CA 1.776 14 residues pruned to eliminate duplicates Z: 6 7.982 1.935 0.394 0.783 1.000 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 13 23.599 1.945 0.913 0.795 1.000 0.667 CA 1.415 13 residues pruned to eliminate duplicates Z: 27 35.257 2.384 1.269 0.387 0.846 0.577 CB 1.704 27 residues pruned to eliminate duplicates Z: 52 35.317 2.210 1.026 0.427 0.882 0.510 CB 1.350 52 residues pruned to eliminate duplicates Z: 67 59.980 2.409 1.034 0.449 0.924 0.652 CB 1.718 67 residues pruned to eliminate duplicates Z: 12 21.109 2.029 0.937 0.757 1.000 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 80 71.510 2.453 0.973 0.528 0.949 0.722 CB 1.704 80 residues pruned to eliminate duplicates Z: 83 59.834 2.452 1.146 0.419 0.878 0.524 CB 1.555 83 residues pruned to eliminate duplicates Z: 63 39.578 2.276 0.942 0.397 0.871 0.581 CB 1.456 66 residues pruned to eliminate duplicates Z: 45 46.966 2.453 0.809 0.516 0.932 0.682 CB 1.684 45 residues pruned to eliminate duplicates Z: 12 7.540 2.109 0.550 0.254 0.909 0.455 CB 1.014 12 residues pruned to eliminate duplicates Z: 12 6.838 1.965 0.561 0.302 0.818 0.364 CB 1.024 12 residues pruned to eliminate duplicates Z: 12 23.466 1.971 0.933 0.842 0.909 0.727 CB 1.522 12 residues pruned to eliminate duplicates Z: 82 77.417 2.483 0.953 0.554 0.938 0.704 CB 1.793 82 residues pruned to eliminate duplicates Z: 11 19.124 2.071 0.871 0.772 0.900 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 38 46.421 2.428 1.217 0.411 0.892 0.622 CB 1.745 38 residues pruned to eliminate duplicates Z: 41 50.292 2.456 0.941 0.500 0.950 0.700 CB 1.756 41 residues pruned to eliminate duplicates Z: 70 85.261 2.577 1.077 0.589 0.942 0.667 CB 1.870 70 residues pruned to eliminate duplicates Z: 12 27.282 2.096 0.983 0.808 1.000 0.818 CA 1.512 12 residues pruned to eliminate duplicates Z: 71 73.058 2.504 1.050 0.566 0.900 0.657 CB 1.773 71 residues pruned to eliminate duplicates Z: 63 39.705 2.227 0.961 0.424 0.903 0.613 CB 1.384 63 residues pruned to eliminate duplicates Z: 12 20.266 1.914 0.832 0.822 0.909 0.818 CB 1.451 12 residues pruned to eliminate duplicates Z: 6 7.564 1.847 0.227 0.781 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 10 12.424 2.471 0.666 0.390 0.889 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 16 31.010 2.549 0.855 0.424 0.933 0.667 CA 1.963 16 residues pruned to eliminate duplicates Z: 15 35.035 2.411 0.647 0.901 1.000 0.929 CB 1.684 15 residues pruned to eliminate duplicates Z: 12 23.607 2.356 0.892 0.483 1.000 0.727 CB 1.625 12 residues pruned to eliminate duplicates Z: 117 102.987 2.554 1.136 0.565 0.940 0.672 CB 1.751 117 residues pruned to eliminate duplicates Z: 11 7.008 2.127 0.589 0.376 0.700 0.400 CB 1.069 11 residues pruned to eliminate duplicates Z: 108 84.319 2.485 1.038 0.520 0.916 0.682 CB 1.722 108 residues pruned to eliminate duplicates Z: 10 23.802 2.181 1.212 0.910 0.889 0.889 CB 1.312 10 residues pruned to eliminate duplicates Z: 38 49.509 2.558 1.088 0.402 0.892 0.541 CB 1.894 38 residues pruned to eliminate duplicates Z: 13 12.752 2.293 0.554 0.492 0.750 0.500 CB 1.389 13 residues pruned to eliminate duplicates Z: 48 47.698 2.389 1.160 0.388 0.894 0.638 CB 1.699 48 residues pruned to eliminate duplicates Z: 13 23.058 1.943 0.783 0.833 1.000 0.583 CA 1.441 13 residues pruned to eliminate duplicates Z: 15 28.854 2.355 1.335 0.501 0.857 0.786 CB 1.635 15 residues pruned to eliminate duplicates Z: 70 87.618 2.570 1.072 0.578 0.971 0.667 CB 1.893 70 residues pruned to eliminate duplicates Z: 10 13.760 2.198 0.765 0.516 0.667 0.667 CB 1.746 10 residues pruned to eliminate duplicates Z: 75 74.665 2.493 0.978 0.539 0.932 0.703 CB 1.818 75 residues pruned to eliminate duplicates Z: 108 87.709 2.499 1.014 0.525 0.916 0.654 CB 1.796 108 residues pruned to eliminate duplicates Z: 79 66.353 2.407 1.038 0.438 0.936 0.679 CB 1.745 79 residues pruned to eliminate duplicates Z: 23 26.524 2.438 1.256 0.353 0.864 0.500 CB 1.395 23 residues pruned to eliminate duplicates Z: 16 29.756 2.464 1.180 0.421 0.933 0.667 CB 1.664 16 residues pruned to eliminate duplicates Z: 110 93.795 2.462 1.113 0.557 0.954 0.716 CB 1.713 110 residues pruned to eliminate duplicates Z: 8 16.840 2.059 0.546 0.808 1.000 0.857 CA 1.529 8 residues pruned to eliminate duplicates Z: 21 20.097 2.231 0.826 0.385 0.800 0.600 CB 1.557 21 residues pruned to eliminate duplicates Z: 54 36.800 2.287 0.971 0.449 0.849 0.547 CB 1.391 54 residues pruned to eliminate duplicates Z: 73 49.098 2.379 0.918 0.481 0.847 0.583 CB 1.526 73 residues pruned to eliminate duplicates Z: 27 42.309 2.394 1.129 0.625 0.962 0.577 CB 1.506 27 residues pruned to eliminate duplicates Z: 70 76.502 2.528 1.012 0.580 0.928 0.696 CB 1.808 70 residues pruned to eliminate duplicates Z: 49 51.509 2.483 1.014 0.551 0.875 0.646 CB 1.616 49 residues pruned to eliminate duplicates Z: 46 49.415 2.446 1.067 0.409 0.889 0.622 CB 1.802 46 residues pruned to eliminate duplicates Z: 39 39.440 2.339 1.132 0.494 0.842 0.447 CB 1.533 39 residues pruned to eliminate duplicates Z: 6 5.273 1.935 0.106 0.646 0.800 0.600 CB 1.202 6 residues pruned to eliminate duplicates Z: 45 44.495 2.432 1.286 0.444 0.886 0.523 CB 1.442 45 residues pruned to eliminate duplicates Z: 47 52.357 2.501 0.923 0.549 0.913 0.674 CB 1.676 47 residues pruned to eliminate duplicates Z: 35 47.706 2.435 1.340 0.530 0.941 0.588 CB 1.482 35 residues pruned to eliminate duplicates Z: 109 60.483 2.292 1.018 0.408 0.870 0.565 CB 1.593 109 residues pruned to eliminate duplicates Z: 31 62.063 2.626 1.031 0.687 0.933 0.700 CA 1.917 31 residues pruned to eliminate duplicates Z: 49 54.552 2.504 1.062 0.398 0.938 0.604 CB 1.810 49 residues pruned to eliminate duplicates Z: 6 4.287 1.537 0.682 0.452 1.000 0.600 N 0.779 Z: 83 72.996 2.493 0.970 0.537 0.902 0.695 CB 1.754 83 residues pruned to eliminate duplicates Z: 51 54.402 2.469 1.154 0.397 0.900 0.520 CB 1.791 51 residues pruned to eliminate duplicates Z: 27 38.113 2.375 1.125 0.565 0.923 0.654 CB 1.507 27 residues pruned to eliminate duplicates Z: 50 46.526 2.492 1.093 0.383 0.878 0.510 CB 1.645 50 residues pruned to eliminate duplicates Z: 28 48.250 2.663 0.991 0.621 0.852 0.556 CB 1.834 28 residues pruned to eliminate duplicates Z: 81 57.400 2.534 0.965 0.458 0.838 0.575 CB 1.607 81 residues pruned to eliminate duplicates Z: 101 86.556 2.468 1.056 0.515 0.940 0.620 CB 1.788 101 residues pruned to eliminate duplicates Z: 29 31.075 2.317 0.718 0.490 0.893 0.536 CB 1.670 29 residues pruned to eliminate duplicates Z: 16 33.817 2.568 0.425 0.930 1.000 0.867 CA 1.668 16 residues pruned to eliminate duplicates Z: 9 9.327 2.010 0.448 0.527 0.875 0.625 CB 1.261 6 residues pruned to eliminate duplicates Z: 42 40.546 2.399 0.922 0.524 0.854 0.610 CB 1.570 42 residues pruned to eliminate duplicates Z: 27 41.089 2.566 1.143 0.541 0.885 0.615 CB 1.592 27 residues pruned to eliminate duplicates Z: 21 25.396 2.227 1.098 0.433 0.850 0.550 CB 1.532 17 residues pruned to eliminate duplicates Z: 6 3.176 1.724 -0.064 0.559 0.800 0.800 N 1.039 Z: 59 44.768 2.379 0.967 0.448 0.879 0.483 CB 1.507 59 residues pruned to eliminate duplicates Z: 67 66.058 2.495 1.036 0.461 0.924 0.591 CB 1.802 67 residues pruned to eliminate duplicates Z: 26 20.567 2.291 0.763 0.365 0.840 0.360 CB 1.401 26 residues pruned to eliminate duplicates Z: 6 3.138 1.610 -0.073 0.473 1.000 0.600 CB 0.967 Z: 157 107.680 2.537 1.088 0.519 0.904 0.583 CB 1.767 157 residues pruned to eliminate duplicates Z: 48 54.407 2.527 0.985 0.572 0.851 0.702 CB 1.735 48 residues pruned to eliminate duplicates Z: 79 75.293 2.497 1.024 0.522 0.923 0.667 CB 1.788 79 residues pruned to eliminate duplicates Z: 17 11.173 2.057 0.868 0.262 0.750 0.438 CB 1.272 17 residues pruned to eliminate duplicates Z: 70 74.867 2.506 1.021 0.584 0.942 0.667 CB 1.742 70 residues pruned to eliminate duplicates Z: 43 82.279 2.657 1.279 0.635 0.952 0.714 CB 1.940 43 residues pruned to eliminate duplicates Z: 9 17.647 2.333 0.728 0.604 0.875 0.875 CB 1.602 9 residues pruned to eliminate duplicates Z: 76 55.004 2.324 0.935 0.434 0.853 0.627 CB 1.772 76 residues pruned to eliminate duplicates Z: 24 31.493 2.207 0.929 0.557 0.957 0.652 CB 1.526 24 residues pruned to eliminate duplicates Z: 107 89.086 2.521 1.040 0.515 0.934 0.736 CB 1.775 107 residues pruned to eliminate duplicates Z: 10 14.502 2.246 0.613 0.430 0.889 0.556 CB 1.614 10 residues pruned to eliminate duplicates Z: 12 14.180 2.033 0.856 0.477 0.909 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 58 56.440 2.392 1.131 0.413 0.947 0.614 CB 1.696 58 residues pruned to eliminate duplicates Z: 14 8.743 2.019 0.518 0.336 0.615 0.615 CB 1.538 14 residues pruned to eliminate duplicates Z: 11 8.646 1.798 0.023 0.696 0.900 0.700 CA 1.381 11 residues pruned to eliminate duplicates Z: 15 33.454 2.503 1.273 0.425 0.929 0.786 CB 1.830 15 residues pruned to eliminate duplicates Z: 29 27.423 2.160 1.016 0.493 0.929 0.536 CB 1.291 29 residues pruned to eliminate duplicates Z: 118 96.213 2.518 1.064 0.547 0.940 0.615 CB 1.739 118 residues pruned to eliminate duplicates Z: 12 18.483 2.362 0.777 0.419 0.818 0.455 CB 1.766 12 residues pruned to eliminate duplicates Z: 8 13.798 2.137 1.227 0.524 0.714 0.714 CB 1.498 8 residues pruned to eliminate duplicates Z: 52 57.331 2.364 0.979 0.533 0.941 0.725 CB 1.765 52 residues pruned to eliminate duplicates Z: 66 41.384 2.280 0.986 0.408 0.892 0.600 CB 1.399 66 residues pruned to eliminate duplicates Z: 40 52.076 2.458 1.050 0.392 0.949 0.615 CB 1.956 46 residues pruned to eliminate duplicates Z: 19 23.052 2.287 1.274 0.348 0.833 0.444 CB 1.478 19 residues pruned to eliminate duplicates Z: 93 63.519 2.449 1.003 0.445 0.902 0.565 CB 1.583 93 residues pruned to eliminate duplicates Z: 36 32.547 2.191 0.975 0.497 0.914 0.457 CB 1.395 36 residues pruned to eliminate duplicates Z: 12 22.366 1.944 0.901 0.866 1.000 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 12 37.644 2.431 0.963 0.820 1.000 0.818 CA 1.802 12 residues pruned to eliminate duplicates Z: 33 25.032 2.187 1.008 0.359 0.875 0.469 CB 1.340 33 residues pruned to eliminate duplicates Z: 10 28.581 2.341 0.995 0.802 1.000 0.667 CB 1.567 10 residues pruned to eliminate duplicates Z: 63 57.632 2.470 1.045 0.434 0.887 0.597 CB 1.749 63 residues pruned to eliminate duplicates Z: 44 71.330 2.594 1.059 0.646 0.953 0.674 CA 1.865 44 residues pruned to eliminate duplicates Z: 12 9.961 1.935 0.750 0.367 0.818 0.364 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 17.040 1.888 0.804 0.844 0.917 0.667 CB 1.172 13 residues pruned to eliminate duplicates Z: 23 79.138 2.650 1.179 0.935 1.000 0.591 CA 2.036 23 residues pruned to eliminate duplicates Z: 21 38.213 2.463 1.048 0.423 1.000 0.750 CB 1.836 22 residues pruned to eliminate duplicates Z: 47 38.427 2.539 0.896 0.396 0.783 0.630 CB 1.678 47 residues pruned to eliminate duplicates Z: 6 7.269 1.881 0.293 0.780 0.800 0.800 CA 1.305 6 residues pruned to eliminate duplicates Z: 24 22.143 2.173 0.738 0.483 0.913 0.522 CB 1.363 24 residues pruned to eliminate duplicates Z: 10 14.232 1.796 0.575 0.767 0.889 0.444 CA 1.490 10 residues pruned to eliminate duplicates Z: 91 83.841 2.484 1.082 0.531 0.944 0.678 CB 1.755 91 residues pruned to eliminate duplicates Z: 20 32.295 2.482 1.132 0.378 0.895 0.526 CB 1.783 20 residues pruned to eliminate duplicates Z: 36 50.461 2.548 1.197 0.443 0.886 0.686 CB 1.825 36 residues pruned to eliminate duplicates Z: 11 17.116 2.133 0.927 0.510 0.900 0.600 CB 1.448 11 residues pruned to eliminate duplicates Z: 7 5.444 1.785 0.530 0.406 0.833 0.500 CB 1.078 Z: 11 5.762 1.376 0.579 0.544 0.700 0.400 C 1.148 Z: 16 26.765 2.345 1.186 0.413 0.867 0.667 CB 1.704 16 residues pruned to eliminate duplicates Z: 6 4.146 1.664 0.303 0.438 0.800 0.400 CB 1.139 Z: 16 9.790 2.204 0.392 0.293 0.867 0.533 CB 1.198 16 residues pruned to eliminate duplicates Z: 106 108.858 2.582 1.259 0.525 0.943 0.638 CB 1.884 105 residues pruned to eliminate duplicates Z: 41 27.306 2.135 0.858 0.439 0.825 0.425 CB 1.406 41 residues pruned to eliminate duplicates Z: 34 15.732 2.092 0.723 0.246 0.848 0.333 CB 1.200 34 residues pruned to eliminate duplicates Z: 33 52.560 2.480 1.149 0.437 0.938 0.594 CB 1.985 33 residues pruned to eliminate duplicates Z: 6 10.857 2.191 0.486 0.442 1.000 0.600 CA 1.583 6 residues pruned to eliminate duplicates Z: 25 22.761 2.049 0.940 0.544 0.875 0.583 CB 1.280 25 residues pruned to eliminate duplicates Z: 44 42.539 2.499 0.897 0.437 0.860 0.581 CB 1.697 44 residues pruned to eliminate duplicates Z: 16 15.628 2.181 0.799 0.411 0.800 0.600 CB 1.411 16 residues pruned to eliminate duplicates Z: 9 13.659 1.922 0.588 0.773 0.875 0.375 CA 1.420 9 residues pruned to eliminate duplicates Z: 7 3.387 1.493 0.384 0.320 0.833 0.500 CB 0.979 7 residues pruned to eliminate duplicates Z: 8 4.776 1.848 0.509 0.253 0.571 0.429 N 1.504 8 residues pruned to eliminate duplicates Z: 62 66.766 2.457 0.998 0.548 0.951 0.738 CB 1.747 62 residues pruned to eliminate duplicates Z: 32 45.278 2.473 1.119 0.524 0.935 0.484 CB 1.620 32 residues pruned to eliminate duplicates Z: 93 84.659 2.452 1.042 0.511 0.967 0.707 CB 1.802 93 residues pruned to eliminate duplicates Z: 53 72.841 2.572 1.036 0.596 0.942 0.712 CB 1.869 53 residues pruned to eliminate duplicates Z: 30 44.141 2.385 1.103 0.419 0.931 0.586 CB 1.910 30 residues pruned to eliminate duplicates Z: 35 30.068 2.214 0.968 0.498 0.882 0.529 CB 1.344 35 residues pruned to eliminate duplicates Z: 7 2.661 1.808 0.472 0.171 0.500 0.333 CB 1.217 7 residues pruned to eliminate duplicates Z: 58 51.492 2.316 0.816 0.535 0.930 0.632 CB 1.685 58 residues pruned to eliminate duplicates Z: 23 56.359 2.628 0.864 0.885 1.000 0.818 CA 1.771 23 residues pruned to eliminate duplicates Z: 62 37.651 2.207 0.950 0.419 0.885 0.443 CB 1.377 62 residues pruned to eliminate duplicates Z: 9 16.373 1.845 0.628 0.797 1.000 0.750 CA 1.486 9 residues pruned to eliminate duplicates Z: 82 81.557 2.469 0.961 0.564 0.963 0.691 CB 1.827 82 residues pruned to eliminate duplicates Z: 64 46.648 2.407 1.188 0.392 0.857 0.460 CB 1.460 64 residues pruned to eliminate duplicates Z: 71 81.767 2.518 0.997 0.594 0.971 0.671 CB 1.829 71 residues pruned to eliminate duplicates Z: 6 2.796 1.504 0.308 0.451 0.600 0.600 C 1.114 6 residues pruned to eliminate duplicates Z: 6 6.731 1.773 0.354 0.457 1.000 0.400 C 1.311 6 residues pruned to eliminate duplicates Z: 56 43.199 2.300 0.973 0.442 0.891 0.455 CB 1.529 56 residues pruned to eliminate duplicates Z: 30 35.377 2.406 0.837 0.482 0.897 0.552 CB 1.688 30 residues pruned to eliminate duplicates Z: 74 78.901 2.473 1.025 0.571 0.932 0.685 CB 1.849 74 residues pruned to eliminate duplicates Z: 61 73.403 2.500 0.972 0.615 0.950 0.700 CB 1.816 61 residues pruned to eliminate duplicates Z: 6 15.408 2.281 0.554 0.729 1.000 0.600 CA 1.582 6 residues pruned to eliminate duplicates Z: 64 37.922 2.370 1.025 0.376 0.762 0.492 CB 1.492 64 residues pruned to eliminate duplicates Z: 117 100.212 2.536 1.068 0.575 0.940 0.672 CB 1.757 117 residues pruned to eliminate duplicates Z: 38 51.710 2.496 0.908 0.547 0.973 0.676 CB 1.752 38 residues pruned to eliminate duplicates Z: 8 31.190 2.388 1.481 0.652 1.000 0.857 CB 1.728 8 residues pruned to eliminate duplicates Z: 13 6.967 1.687 0.513 0.356 0.750 0.417 N 1.228 Z: 76 71.057 2.512 1.093 0.457 0.907 0.587 CB 1.798 76 residues pruned to eliminate duplicates Z: 14 45.574 2.667 1.321 0.704 1.000 0.769 CB 1.696 14 residues pruned to eliminate duplicates Z: 66 88.577 2.568 1.088 0.633 0.954 0.692 CB 1.895 66 residues pruned to eliminate duplicates Z: 55 49.265 2.500 0.953 0.501 0.870 0.556 CB 1.577 55 residues pruned to eliminate duplicates Z: 40 42.677 2.457 0.894 0.563 0.897 0.692 CB 1.541 40 residues pruned to eliminate duplicates Z: 27 25.436 2.192 0.963 0.389 0.885 0.500 CB 1.473 27 residues pruned to eliminate duplicates Z: 23 46.644 2.580 0.693 0.878 0.909 0.818 CB 1.818 23 residues pruned to eliminate duplicates Z: 13 24.263 2.285 0.852 0.525 1.000 0.833 CB 1.615 13 residues pruned to eliminate duplicates Z: 12 16.320 2.397 0.810 0.416 0.818 0.636 CA 1.514 12 residues pruned to eliminate duplicates Z: 30 35.916 2.281 0.867 0.548 0.966 0.621 CB 1.548 30 residues pruned to eliminate duplicates Z: 8 4.212 1.869 0.419 0.209 0.714 0.429 CB 1.185 8 residues pruned to eliminate duplicates Z: 6 5.942 1.311 0.981 0.725 0.800 0.800 N 1.044 Z: 6 3.530 1.602 0.676 0.473 0.800 0.600 CA 0.755 Z: 10 28.513 2.342 1.260 0.841 0.889 0.667 CB 1.506 10 residues pruned to eliminate duplicates Z: 18 28.651 2.294 1.105 0.503 0.824 0.588 CB 1.741 18 residues pruned to eliminate duplicates Z: 38 31.865 2.126 0.909 0.501 0.946 0.432 CB 1.363 38 residues pruned to eliminate duplicates Z: 51 49.577 2.409 1.011 0.543 0.860 0.640 CB 1.613 51 residues pruned to eliminate duplicates Z: 38 44.458 2.362 0.962 0.441 0.919 0.459 CB 1.823 38 residues pruned to eliminate duplicates Z: 8 20.400 2.368 0.824 0.826 0.857 0.857 CA 1.571 8 residues pruned to eliminate duplicates Z: 24 33.172 2.483 0.884 0.415 0.913 0.522 CB 1.771 24 residues pruned to eliminate duplicates Z: 57 77.304 2.515 0.998 0.638 0.964 0.661 CB 1.874 57 residues pruned to eliminate duplicates Z: 10 19.037 2.227 0.903 0.791 0.778 0.556 CA 1.491 10 residues pruned to eliminate duplicates Z: 23 30.993 2.228 1.006 0.433 0.955 0.591 CB 1.660 23 residues pruned to eliminate duplicates 8 1.399 1.298 0.724 0.222 0.429 0.286 CB 0.764 ? Z: 121 94.662 2.468 1.102 0.517 0.917 0.625 CB 1.787 121 residues pruned to eliminate duplicates Z: 12 11.310 2.314 0.401 0.460 0.818 0.727 CB 1.340 12 residues pruned to eliminate duplicates Z: 24 44.448 2.512 1.031 0.554 0.913 0.783 CB 1.888 24 residues pruned to eliminate duplicates Z: 34 26.923 2.196 0.904 0.339 0.879 0.485 CB 1.521 34 residues pruned to eliminate duplicates Z: 25 40.173 2.411 1.197 0.521 0.917 0.542 CB 1.655 25 residues pruned to eliminate duplicates Z: 22 20.360 2.133 0.897 0.529 0.810 0.619 CB 1.318 22 residues pruned to eliminate duplicates Z: 68 82.906 2.578 1.063 0.591 0.940 0.612 CB 1.856 68 residues pruned to eliminate duplicates Z: 12 14.942 2.379 0.678 0.340 0.909 0.545 CB 1.479 12 residues pruned to eliminate duplicates Z: 44 57.559 2.531 0.991 0.570 0.953 0.581 CB 1.706 44 residues pruned to eliminate duplicates Z: 47 36.991 2.262 0.947 0.457 0.891 0.435 CB 1.452 47 residues pruned to eliminate duplicates Z: 26 31.414 2.338 1.042 0.412 0.880 0.720 CB 1.640 26 residues pruned to eliminate duplicates Z: 40 40.029 2.412 0.921 0.520 0.872 0.564 CB 1.556 40 residues pruned to eliminate duplicates 6 1.846 1.876 0.045 0.390 0.600 0.600 CB 0.788 ? Z: 85 77.233 2.449 1.007 0.542 0.929 0.583 CB 1.772 85 residues pruned to eliminate duplicates Z: 59 83.432 2.601 0.997 0.628 0.983 0.707 CB 1.902 59 residues pruned to eliminate duplicates Z: 70 82.767 2.541 1.068 0.594 0.957 0.681 CB 1.812 70 residues pruned to eliminate duplicates Z: 20 22.849 2.180 1.009 0.437 0.895 0.579 CB 1.427 20 residues pruned to eliminate duplicates Z: 50 43.612 2.313 1.069 0.359 0.959 0.571 CB 1.581 50 residues pruned to eliminate duplicates Z: 8 15.430 1.948 0.725 0.782 1.000 0.571 CB 1.354 8 residues pruned to eliminate duplicates Z: 79 77.536 2.450 1.049 0.545 0.962 0.667 CB 1.740 79 residues pruned to eliminate duplicates Z: 16 32.778 2.355 0.605 0.890 1.000 0.733 CB 1.611 16 residues pruned to eliminate duplicates Z: 90 86.536 2.516 1.097 0.503 0.933 0.640 CB 1.858 90 residues pruned to eliminate duplicates Z: 8 3.852 1.844 0.204 0.203 0.857 0.429 CA 1.089 7 1.808 1.358 0.273 0.347 0.667 0.500 C 0.756 ? Z: 43 46.764 2.509 1.190 0.360 0.929 0.595 CB 1.646 43 residues pruned to eliminate duplicates Z: 9 13.920 1.944 0.531 0.782 1.000 0.500 CA 1.291 9 residues pruned to eliminate duplicates Z: 10 19.313 2.167 1.274 0.367 1.000 0.778 CA 1.506 10 residues pruned to eliminate duplicates Z: 26 23.893 2.241 0.819 0.352 0.920 0.640 CB 1.496 26 residues pruned to eliminate duplicates Z: 7 6.119 1.748 0.382 0.762 1.000 0.500 CB 0.820 Z: 25 19.707 2.345 0.959 0.392 0.792 0.625 CB 1.239 25 residues pruned to eliminate duplicates Z: 15 23.049 2.170 0.978 0.746 0.857 0.714 CB 1.343 15 residues pruned to eliminate duplicates Z: 48 45.712 2.426 0.990 0.404 0.872 0.596 CB 1.752 48 residues pruned to eliminate duplicates Z: 37 42.873 2.377 1.114 0.568 0.917 0.611 CB 1.452 37 residues pruned to eliminate duplicates Z: 42 56.222 2.602 1.036 0.543 0.902 0.683 CB 1.760 42 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.579 1.350 1.161 0.285 0.800 0.800 CA 0.630 4 residues pruned to eliminate duplicates Z: 6 4.572 1.796 1.072 0.246 0.800 0.400 CB 0.921 6 residues pruned to eliminate duplicates Z: 108 94.690 2.517 1.090 0.524 0.953 0.636 CB 1.782 108 residues pruned to eliminate duplicates Z: 107 96.860 2.501 1.103 0.518 0.953 0.660 CB 1.843 108 residues pruned to eliminate duplicates Z: 8 5.856 1.869 0.989 0.171 0.714 0.286 CB 1.242 8 residues pruned to eliminate duplicates Z: 108 94.952 2.505 1.084 0.529 0.944 0.664 CB 1.810 108 residues pruned to eliminate duplicates Z: 43 36.896 2.358 0.815 0.420 0.833 0.500 CB 1.736 43 residues pruned to eliminate duplicates Z: 108 87.894 2.501 1.078 0.507 0.916 0.664 CB 1.773 108 residues pruned to eliminate duplicates Z: 108 88.662 2.477 0.978 0.522 0.953 0.664 CB 1.796 108 residues pruned to eliminate duplicates Z: 39 38.337 2.379 0.939 0.389 0.868 0.579 CB 1.747 39 residues pruned to eliminate duplicates Z: 7 10.096 1.936 0.581 0.545 1.000 0.833 CA 1.288 7 residues pruned to eliminate duplicates Z: 102 82.953 2.479 1.019 0.525 0.891 0.644 CB 1.805 102 residues pruned to eliminate duplicates Z: 49 50.791 2.426 1.254 0.382 0.896 0.604 CB 1.696 49 residues pruned to eliminate duplicates Z: 50 47.831 2.353 1.155 0.378 0.918 0.571 CB 1.671 49 residues pruned to eliminate duplicates Z: 10 11.989 1.722 0.881 0.495 1.000 0.333 N 1.239 10 residues pruned to eliminate duplicates Z: 31 20.802 2.337 0.803 0.285 0.700 0.367 CB 1.641 31 residues pruned to eliminate duplicates Z: 39 45.411 2.426 1.082 0.415 0.921 0.658 CB 1.730 39 residues pruned to eliminate duplicates Z: 49 53.035 2.431 1.244 0.398 0.917 0.542 CB 1.705 50 residues pruned to eliminate duplicates Z: 6 6.627 1.939 1.327 0.304 0.600 0.600 CA 1.362 6 residues pruned to eliminate duplicates Z: 25 33.748 2.430 0.936 0.388 0.875 0.583 CA 1.886 36 residues pruned to eliminate duplicates Z: 39 48.486 2.431 1.137 0.420 0.921 0.632 CB 1.788 39 residues pruned to eliminate duplicates Z: 7 4.515 1.815 0.692 0.380 0.833 0.333 CA 0.818 7 residues pruned to eliminate duplicates Z: 108 89.964 2.508 1.038 0.516 0.935 0.692 CB 1.792 108 residues pruned to eliminate duplicates Z: 39 49.060 2.450 1.204 0.407 0.921 0.579 CB 1.764 39 residues pruned to eliminate duplicates Z: 24 26.456 2.182 1.016 0.379 0.913 0.609 CB 1.561 24 residues pruned to eliminate duplicates Z: 105 94.668 2.524 1.081 0.535 0.952 0.683 CB 1.795 105 residues pruned to eliminate duplicates Z: 48 47.170 2.384 1.054 0.388 0.936 0.660 CB 1.690 48 residues pruned to eliminate duplicates Z: 49 48.965 2.431 1.132 0.399 0.896 0.583 CB 1.693 49 residues pruned to eliminate duplicates Z: 84 82.669 2.453 1.019 0.573 0.952 0.699 CB 1.794 84 residues pruned to eliminate duplicates Z: 49 44.927 2.424 0.985 0.384 0.896 0.583 CB 1.702 49 residues pruned to eliminate duplicates Z: 24 29.254 2.122 1.197 0.382 0.957 0.565 CB 1.550 24 residues pruned to eliminate duplicates Z: 48 51.750 2.428 1.234 0.384 0.915 0.511 CB 1.721 48 residues pruned to eliminate duplicates Z: 24 27.579 2.239 1.238 0.416 0.870 0.478 CB 1.441 24 residues pruned to eliminate duplicates Z: 43 40.072 2.377 1.028 0.385 0.881 0.500 CB 1.646 43 residues pruned to eliminate duplicates Z: 72 71.866 2.499 1.044 0.545 0.901 0.549 CB 1.773 72 residues pruned to eliminate duplicates Z: 48 50.071 2.452 1.050 0.389 0.936 0.660 CB 1.746 48 residues pruned to eliminate duplicates Z: 108 88.215 2.488 1.055 0.498 0.944 0.664 CB 1.770 108 residues pruned to eliminate duplicates Z: 70 82.494 2.537 1.088 0.586 0.957 0.667 CB 1.804 70 residues pruned to eliminate duplicates Z: 106 89.535 2.527 1.052 0.515 0.933 0.686 CB 1.779 106 residues pruned to eliminate duplicates Z: 81 86.001 2.519 1.104 0.567 0.963 0.625 CB 1.766 81 residues pruned to eliminate duplicates Z: 109 84.580 2.475 1.023 0.511 0.907 0.685 CB 1.771 109 residues pruned to eliminate duplicates Z: 70 80.376 2.528 1.093 0.583 0.942 0.623 CB 1.792 70 residues pruned to eliminate duplicates Z: 108 93.793 2.516 1.126 0.517 0.944 0.701 CB 1.766 108 residues pruned to eliminate duplicates Z: 70 90.386 2.553 1.147 0.584 0.986 0.623 CB 1.857 70 residues pruned to eliminate duplicates Z: 62 86.171 2.548 1.073 0.620 0.984 0.721 CB 1.896 62 residues pruned to eliminate duplicates Z: 69 83.557 2.569 1.028 0.596 0.971 0.735 CB 1.828 69 residues pruned to eliminate duplicates Z: 74 79.821 2.507 1.012 0.560 0.945 0.726 CB 1.848 74 residues pruned to eliminate duplicates Z: 108 91.179 2.496 1.072 0.512 0.925 0.682 CB 1.820 108 residues pruned to eliminate duplicates Z: 90 82.542 2.463 1.088 0.539 0.921 0.674 CB 1.778 90 residues pruned to eliminate duplicates Z: 91 85.989 2.527 0.999 0.540 0.967 0.722 CB 1.785 91 residues pruned to eliminate duplicates Z: 74 75.234 2.490 1.011 0.556 0.932 0.699 CB 1.788 74 residues pruned to eliminate duplicates Z: 71 81.258 2.537 1.073 0.585 0.971 0.671 CB 1.753 71 residues pruned to eliminate duplicates Z: 70 82.616 2.555 1.096 0.587 0.957 0.681 CB 1.786 70 residues pruned to eliminate duplicates Z: 108 85.647 2.471 0.997 0.500 0.944 0.701 CB 1.778 108 residues pruned to eliminate duplicates Z: 69 83.874 2.577 1.082 0.581 0.956 0.691 CB 1.834 69 residues pruned to eliminate duplicates Z: 108 88.780 2.509 1.047 0.494 0.935 0.682 CB 1.799 108 residues pruned to eliminate duplicates Z: 108 82.135 2.481 0.949 0.499 0.925 0.701 CB 1.778 108 residues pruned to eliminate duplicates Z: 71 77.900 2.535 1.064 0.559 0.943 0.629 CB 1.783 71 residues pruned to eliminate duplicates Z: 108 89.573 2.507 1.085 0.505 0.925 0.617 CB 1.781 108 residues pruned to eliminate duplicates Z: 109 85.607 2.468 0.969 0.519 0.944 0.676 CB 1.761 109 residues pruned to eliminate duplicates Z: 61 75.490 2.528 1.039 0.616 0.917 0.750 CB 1.848 61 residues pruned to eliminate duplicates Z: 108 91.996 2.507 1.080 0.515 0.935 0.673 CB 1.798 108 residues pruned to eliminate duplicates Z: 82 80.537 2.480 1.033 0.544 0.963 0.704 CB 1.765 82 residues pruned to eliminate duplicates Z: 75 87.325 2.476 1.131 0.602 0.959 0.649 CB 1.819 75 residues pruned to eliminate duplicates Z: 92 85.732 2.491 1.044 0.535 0.945 0.703 CB 1.805 92 residues pruned to eliminate duplicates Z: 83 89.017 2.511 1.080 0.565 0.951 0.707 CB 1.858 83 residues pruned to eliminate duplicates Z: 71 75.638 2.531 1.019 0.567 0.957 0.686 CB 1.732 71 residues pruned to eliminate duplicates Z: 70 81.344 2.535 1.004 0.588 0.957 0.826 CB 1.853 70 residues pruned to eliminate duplicates Z: 108 87.901 2.518 1.046 0.494 0.935 0.636 CB 1.776 108 residues pruned to eliminate duplicates Z: 70 81.841 2.536 1.003 0.587 0.971 0.725 CB 1.839 70 residues pruned to eliminate duplicates Z: 108 89.586 2.503 1.024 0.515 0.925 0.692 CB 1.821 108 residues pruned to eliminate duplicates Z: 108 90.879 2.499 1.061 0.506 0.944 0.701 CB 1.797 108 residues pruned to eliminate duplicates Z: 98 88.942 2.470 1.089 0.544 0.948 0.660 CB 1.768 98 residues pruned to eliminate duplicates Z: 108 95.585 2.518 1.174 0.519 0.935 0.692 CB 1.773 108 residues pruned to eliminate duplicates Z: 82 79.592 2.495 1.025 0.558 0.926 0.654 CB 1.788 82 residues pruned to eliminate duplicates Z: 83 77.907 2.498 1.038 0.541 0.939 0.659 CB 1.729 83 residues pruned to eliminate duplicates Z: 69 81.018 2.548 1.025 0.587 0.956 0.632 CB 1.833 69 residues pruned to eliminate duplicates Z: 112 90.501 2.496 1.075 0.502 0.946 0.649 CB 1.750 112 residues pruned to eliminate duplicates Z: 108 91.154 2.510 1.078 0.511 0.953 0.664 CB 1.753 108 residues pruned to eliminate duplicates Z: 108 90.253 2.495 1.102 0.512 0.925 0.617 CB 1.777 108 residues pruned to eliminate duplicates Z: 108 93.694 2.505 1.136 0.517 0.935 0.636 CB 1.781 108 residues pruned to eliminate duplicates Z: 67 81.755 2.573 1.078 0.597 0.955 0.742 CB 1.797 67 residues pruned to eliminate duplicates Z: 70 86.982 2.542 1.179 0.581 0.971 0.754 CB 1.802 70 residues pruned to eliminate duplicates Z: 130 95.962 2.512 1.100 0.500 0.915 0.659 CB 1.751 130 residues pruned to eliminate duplicates Z: 134 105.344 2.545 1.081 0.532 0.925 0.617 CB 1.806 134 residues pruned to eliminate duplicates Z: 108 98.132 2.517 1.190 0.521 0.953 0.673 CB 1.768 108 residues pruned to eliminate duplicates Z: 69 88.894 2.565 1.164 0.596 0.971 0.735 CB 1.825 69 residues pruned to eliminate duplicates Z: 110 96.758 2.502 1.132 0.527 0.954 0.651 CB 1.773 110 residues pruned to eliminate duplicates Z: 107 94.593 2.521 1.185 0.514 0.925 0.698 CB 1.779 107 residues pruned to eliminate duplicates Z: 95 80.523 2.480 1.052 0.508 0.936 0.617 CB 1.730 95 residues pruned to eliminate duplicates Z: 70 83.604 2.540 1.101 0.587 0.957 0.667 CB 1.814 70 residues pruned to eliminate duplicates Z: 58 80.068 2.574 1.079 0.618 0.982 0.667 CB 1.803 58 residues pruned to eliminate duplicates Z: 109 96.977 2.488 1.177 0.526 0.954 0.648 CB 1.761 109 residues pruned to eliminate duplicates Z: 70 81.299 2.554 1.059 0.590 0.942 0.754 CB 1.813 70 residues pruned to eliminate duplicates Z: 107 94.763 2.525 1.100 0.522 0.953 0.679 CB 1.782 107 residues pruned to eliminate duplicates Z: 11 8.230 2.376 1.053 0.256 0.800 0.600 CB 0.883 11 residues pruned to eliminate duplicates Z: 108 95.166 2.492 1.131 0.523 0.944 0.710 CB 1.794 108 residues pruned to eliminate duplicates Z: 82 86.343 2.472 1.182 0.561 0.938 0.728 CB 1.788 82 residues pruned to eliminate duplicates Z: 10 9.539 1.940 0.888 0.319 0.889 0.556 CB 1.192 10 residues pruned to eliminate duplicates Z: 185 110.448 2.498 1.105 0.490 0.913 0.630 CB 1.712 185 residues pruned to eliminate duplicates Z: 29 42.640 2.610 1.013 0.551 0.857 0.571 CB 1.703 29 residues pruned to eliminate duplicates Z: 7 3.256 2.042 0.496 0.171 0.667 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 71 60.021 2.547 0.983 0.481 0.857 0.643 CB 1.689 71 residues pruned to eliminate duplicates Z: 49 62.373 2.642 1.091 0.542 0.854 0.625 CB 1.830 49 residues pruned to eliminate duplicates Z: 55 50.890 2.526 0.862 0.493 0.833 0.519 CB 1.779 55 residues pruned to eliminate duplicates Z: 95 77.095 2.443 1.026 0.506 0.915 0.670 CB 1.745 95 residues pruned to eliminate duplicates Z: 67 54.800 2.558 0.863 0.421 0.879 0.576 CB 1.748 67 residues pruned to eliminate duplicates Z: 26 41.449 2.674 0.842 0.542 0.880 0.680 CB 1.836 26 residues pruned to eliminate duplicates Z: 28 46.807 2.644 0.987 0.580 0.926 0.704 CB 1.714 28 residues pruned to eliminate duplicates Z: 45 53.583 2.626 0.948 0.526 0.886 0.636 CB 1.737 45 residues pruned to eliminate duplicates Z: 52 51.604 2.559 0.857 0.511 0.882 0.686 CB 1.704 52 residues pruned to eliminate duplicates Z: 17 42.842 2.442 1.185 0.767 0.938 0.688 CB 1.690 17 residues pruned to eliminate duplicates Z: 43 57.321 2.584 1.015 0.558 0.881 0.690 CB 1.823 43 residues pruned to eliminate duplicates Z: 29 42.172 2.641 0.902 0.551 0.893 0.679 CB 1.690 29 residues pruned to eliminate duplicates Z: 54 49.019 2.529 0.810 0.502 0.849 0.642 CB 1.729 54 residues pruned to eliminate duplicates Z: 67 57.435 2.569 0.930 0.457 0.894 0.636 CB 1.667 67 residues pruned to eliminate duplicates Z: 27 50.352 2.692 1.029 0.561 0.923 0.692 CB 1.846 27 residues pruned to eliminate duplicates Z: 28 50.551 2.669 1.081 0.589 0.889 0.704 CB 1.810 28 residues pruned to eliminate duplicates Z: 111 82.328 2.572 1.173 0.477 0.891 0.618 CB 1.614 111 residues pruned to eliminate duplicates Z: 26 54.806 2.733 1.204 0.597 0.920 0.720 CB 1.804 26 residues pruned to eliminate duplicates Z: 134 100.626 2.539 1.062 0.529 0.932 0.669 CB 1.737 134 residues pruned to eliminate duplicates Z: 26 37.703 2.532 0.898 0.476 0.880 0.720 CB 1.827 26 residues pruned to eliminate duplicates Z: 117 107.483 2.599 1.059 0.568 0.957 0.681 CB 1.825 117 residues pruned to eliminate duplicates Z: 11 14.048 2.632 0.394 0.415 0.800 0.800 CB 1.654 11 residues pruned to eliminate duplicates Z: 26 50.299 2.729 1.071 0.613 0.920 0.680 CB 1.738 26 residues pruned to eliminate duplicates Z: 184 106.297 2.533 1.015 0.484 0.891 0.678 CB 1.757 184 residues pruned to eliminate duplicates Z: 45 55.588 2.556 1.019 0.543 0.909 0.614 CB 1.712 45 residues pruned to eliminate duplicates Z: 51 61.174 2.625 1.022 0.528 0.900 0.660 CB 1.762 51 residues pruned to eliminate duplicates Z: 43 55.404 2.621 0.953 0.545 0.881 0.643 CB 1.814 43 residues pruned to eliminate duplicates Z: 75 63.648 2.587 0.982 0.474 0.878 0.649 CB 1.688 75 residues pruned to eliminate duplicates Z: 157 103.565 2.522 1.077 0.506 0.904 0.679 CB 1.742 157 residues pruned to eliminate duplicates Z: 67 57.110 2.559 0.997 0.472 0.879 0.576 CB 1.611 67 residues pruned to eliminate duplicates Z: 42 62.752 2.664 1.044 0.572 0.927 0.634 CB 1.811 42 residues pruned to eliminate duplicates Z: 40 65.111 2.684 1.103 0.601 0.949 0.718 CB 1.769 40 residues pruned to eliminate duplicates Z: 18 35.449 2.699 0.889 0.446 0.882 0.647 CB 2.019 18 residues pruned to eliminate duplicates Z: 133 106.011 2.531 1.143 0.537 0.947 0.621 CB 1.733 133 residues pruned to eliminate duplicates Z: 112 78.251 2.558 1.106 0.468 0.874 0.514 CB 1.629 112 residues pruned to eliminate duplicates Z: 84 63.895 2.538 1.031 0.439 0.880 0.590 CB 1.647 84 residues pruned to eliminate duplicates Z: 52 44.765 2.463 0.873 0.482 0.804 0.588 CB 1.722 52 residues pruned to eliminate duplicates Z: 36 35.651 2.407 0.910 0.434 0.829 0.600 CB 1.694 36 residues pruned to eliminate duplicates Z: 51 43.917 2.523 1.042 0.357 0.860 0.600 CB 1.636 51 residues pruned to eliminate duplicates Z: 27 28.835 2.417 0.989 0.325 0.808 0.577 CB 1.765 27 residues pruned to eliminate duplicates Z: 50 45.932 2.492 0.948 0.428 0.857 0.551 CB 1.699 50 residues pruned to eliminate duplicates Z: 46 48.729 2.556 0.976 0.417 0.933 0.578 CB 1.680 46 residues pruned to eliminate duplicates Z: 40 44.082 2.565 1.114 0.372 0.846 0.538 CB 1.765 40 residues pruned to eliminate duplicates Z: 83 62.501 2.501 1.130 0.413 0.890 0.561 CB 1.595 83 residues pruned to eliminate duplicates Z: 18 38.610 2.693 0.876 0.470 0.941 0.765 CB 2.030 18 residues pruned to eliminate duplicates Z: 87 66.136 2.527 0.998 0.453 0.919 0.558 CB 1.613 87 residues pruned to eliminate duplicates Z: 161 103.391 2.487 1.034 0.512 0.919 0.631 CB 1.737 161 residues pruned to eliminate duplicates Z: 52 51.420 2.451 1.157 0.379 0.922 0.510 CB 1.681 52 residues pruned to eliminate duplicates Z: 22 29.629 2.504 0.918 0.397 0.810 0.571 CB 1.854 22 residues pruned to eliminate duplicates Z: 22 26.525 2.451 1.151 0.292 0.857 0.476 CB 1.617 22 residues pruned to eliminate duplicates Z: 113 77.750 2.504 1.054 0.475 0.893 0.509 CB 1.640 113 residues pruned to eliminate duplicates Z: 39 41.627 2.464 1.031 0.392 0.895 0.500 CB 1.690 39 residues pruned to eliminate duplicates Z: 37 20.971 2.083 0.853 0.321 0.833 0.528 CB 1.323 37 residues pruned to eliminate duplicates Z: 51 34.772 2.228 0.851 0.361 0.900 0.440 CB 1.538 51 residues pruned to eliminate duplicates Z: 24 21.604 2.307 0.884 0.304 0.826 0.522 CB 1.561 24 residues pruned to eliminate duplicates Z: 29 25.839 2.431 0.877 0.358 0.857 0.464 CB 1.455 29 residues pruned to eliminate duplicates Z: 29 26.658 2.377 0.830 0.353 0.893 0.464 CB 1.521 29 residues pruned to eliminate duplicates Z: 21 30.853 2.483 1.231 0.368 0.850 0.500 CB 1.687 21 residues pruned to eliminate duplicates Z: 15 13.925 2.301 0.649 0.285 0.857 0.429 CA 1.458 15 residues pruned to eliminate duplicates Z: 28 26.946 2.461 0.963 0.319 0.852 0.407 CB 1.538 28 residues pruned to eliminate duplicates Z: 63 51.680 2.465 1.120 0.427 0.871 0.468 CB 1.555 63 residues pruned to eliminate duplicates Z: 16 17.627 2.409 0.780 0.328 0.800 0.533 CB 1.602 16 residues pruned to eliminate duplicates Z: 63 50.066 2.475 1.053 0.432 0.871 0.565 CB 1.541 63 residues pruned to eliminate duplicates Z: 15 16.557 2.440 0.701 0.364 0.786 0.500 CB 1.570 15 residues pruned to eliminate duplicates Z: 40 41.196 2.421 1.183 0.468 0.872 0.462 CB 1.479 40 residues pruned to eliminate duplicates Z: 51 43.996 2.436 1.141 0.457 0.840 0.460 CB 1.485 51 residues pruned to eliminate duplicates Z: 28 27.168 2.492 1.099 0.328 0.778 0.519 CB 1.553 28 residues pruned to eliminate duplicates Z: 53 48.699 2.444 1.249 0.408 0.885 0.481 CB 1.530 53 residues pruned to eliminate duplicates Z: 52 41.757 2.417 1.164 0.442 0.804 0.588 CB 1.477 52 residues pruned to eliminate duplicates Z: 64 50.687 2.455 1.090 0.416 0.889 0.476 CB 1.528 64 residues pruned to eliminate duplicates Z: 29 25.528 2.446 1.017 0.317 0.857 0.429 CB 1.397 29 residues pruned to eliminate duplicates Z: 52 45.206 2.423 1.159 0.430 0.922 0.490 CB 1.412 52 residues pruned to eliminate duplicates Z: 39 41.684 2.452 1.117 0.432 0.895 0.526 CB 1.562 39 residues pruned to eliminate duplicates Z: 52 44.028 2.440 1.018 0.416 0.882 0.451 CB 1.548 52 residues pruned to eliminate duplicates Z: 63 48.594 2.463 1.027 0.411 0.887 0.548 CB 1.530 63 residues pruned to eliminate duplicates Z: 64 50.867 2.466 1.109 0.420 0.905 0.492 CB 1.481 64 residues pruned to eliminate duplicates Z: 40 36.805 2.415 1.097 0.441 0.872 0.590 CB 1.419 40 residues pruned to eliminate duplicates Z: 62 49.034 2.397 1.181 0.400 0.869 0.525 CB 1.536 62 residues pruned to eliminate duplicates Z: 61 45.979 2.464 1.080 0.423 0.833 0.550 CB 1.506 61 residues pruned to eliminate duplicates Z: 40 40.030 2.410 1.157 0.474 0.872 0.590 CB 1.451 40 residues pruned to eliminate duplicates Z: 65 49.364 2.438 1.072 0.412 0.906 0.547 CB 1.478 65 residues pruned to eliminate duplicates Z: 61 50.686 2.421 1.214 0.431 0.883 0.500 CB 1.484 61 residues pruned to eliminate duplicates Z: 50 46.365 2.415 1.192 0.430 0.898 0.633 CB 1.499 50 residues pruned to eliminate duplicates Z: 59 48.446 2.454 1.158 0.443 0.862 0.569 CB 1.478 59 residues pruned to eliminate duplicates Z: 83 57.002 2.470 1.073 0.403 0.878 0.512 CB 1.551 83 residues pruned to eliminate duplicates Z: 55 43.923 2.359 1.198 0.427 0.870 0.481 CB 1.428 55 residues pruned to eliminate duplicates Z: 36 42.655 2.452 1.169 0.466 0.914 0.514 CB 1.534 36 residues pruned to eliminate duplicates Z: 47 45.321 2.454 1.200 0.455 0.891 0.522 CB 1.454 47 residues pruned to eliminate duplicates Z: 64 51.955 2.446 1.200 0.390 0.921 0.476 CB 1.485 64 residues pruned to eliminate duplicates Z: 39 39.706 2.421 1.160 0.447 0.895 0.421 CB 1.454 39 residues pruned to eliminate duplicates Z: 38 37.557 2.381 1.091 0.481 0.865 0.324 CB 1.461 38 residues pruned to eliminate duplicates Z: 42 36.471 2.327 1.004 0.471 0.878 0.537 CB 1.432 42 residues pruned to eliminate duplicates Z: 51 45.680 2.453 1.244 0.401 0.880 0.440 CB 1.479 51 residues pruned to eliminate duplicates Z: 27 34.263 2.413 1.042 0.555 0.846 0.577 CB 1.527 27 residues pruned to eliminate duplicates Z: 37 39.732 2.408 1.151 0.499 0.861 0.528 CB 1.487 37 residues pruned to eliminate duplicates Z: 42 36.258 2.337 0.991 0.470 0.854 0.439 CB 1.470 42 residues pruned to eliminate duplicates Z: 27 33.002 2.410 1.028 0.533 0.846 0.577 CB 1.515 27 residues pruned to eliminate duplicates Z: 14 33.167 2.373 1.009 0.612 0.923 0.538 CB 1.880 14 residues pruned to eliminate duplicates Z: 37 41.232 2.444 1.183 0.475 0.889 0.472 CB 1.485 37 residues pruned to eliminate duplicates Z: 36 44.138 2.437 1.116 0.545 0.914 0.657 CB 1.515 36 residues pruned to eliminate duplicates Z: 27 35.331 2.427 0.986 0.572 0.885 0.615 CB 1.515 27 residues pruned to eliminate duplicates Z: 63 52.968 2.473 1.166 0.431 0.887 0.452 CB 1.520 63 residues pruned to eliminate duplicates Z: 26 42.853 2.452 1.191 0.562 0.920 0.560 CB 1.633 26 residues pruned to eliminate duplicates Z: 60 53.758 2.472 1.210 0.443 0.898 0.542 CB 1.513 60 residues pruned to eliminate duplicates Z: 53 43.721 2.389 1.115 0.419 0.904 0.519 CB 1.445 53 residues pruned to eliminate duplicates Z: 37 45.093 2.454 1.172 0.533 0.944 0.639 CB 1.446 37 residues pruned to eliminate duplicates Z: 64 53.727 2.472 1.235 0.434 0.873 0.556 CB 1.502 64 residues pruned to eliminate duplicates Z: 27 41.440 2.424 1.093 0.600 0.962 0.577 CB 1.515 27 residues pruned to eliminate duplicates Z: 53 48.141 2.405 1.240 0.450 0.885 0.577 CB 1.475 53 residues pruned to eliminate duplicates Z: 6 2.366 1.381 -0.094 0.490 1.000 0.800 CA 0.854 6 residues pruned to eliminate duplicates Z: 12 31.146 2.485 1.092 0.561 1.000 0.909 CB 1.702 13 residues pruned to eliminate duplicates Z: 7 15.340 1.855 1.296 0.517 1.000 0.667 CA 1.446 7 residues pruned to eliminate duplicates Z: 25 36.054 2.496 1.224 0.343 0.875 0.625 CB 1.798 25 residues pruned to eliminate duplicates Z: 7 6.488 1.951 0.534 0.277 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 50 52.034 2.474 1.121 0.367 0.918 0.571 CB 1.780 50 residues pruned to eliminate duplicates Z: 39 53.328 2.494 1.206 0.400 0.895 0.579 CB 1.952 39 residues pruned to eliminate duplicates Z: 40 52.031 2.501 1.137 0.399 0.923 0.410 CB 1.878 47 residues pruned to eliminate duplicates Z: 108 102.251 2.578 1.101 0.527 0.944 0.626 CB 1.883 108 residues pruned to eliminate duplicates Z: 108 100.653 2.554 1.101 0.526 0.944 0.636 CB 1.872 108 residues pruned to eliminate duplicates Z: 39 54.136 2.528 1.196 0.419 0.895 0.526 CB 1.923 39 residues pruned to eliminate duplicates Z: 39 52.836 2.475 1.164 0.421 0.921 0.526 CB 1.885 39 residues pruned to eliminate duplicates Z: 25 22.205 2.296 0.846 0.271 0.792 0.458 CA 1.753 25 residues pruned to eliminate duplicates Z: 41 50.741 2.455 1.140 0.399 0.900 0.525 CB 1.888 41 residues pruned to eliminate duplicates Z: 24 38.646 2.493 1.274 0.359 0.870 0.522 CB 1.903 24 residues pruned to eliminate duplicates Z: 38 54.803 2.533 1.310 0.412 0.892 0.514 CB 1.892 38 residues pruned to eliminate duplicates Z: 109 99.038 2.575 1.128 0.513 0.917 0.630 CB 1.874 109 residues pruned to eliminate duplicates Z: 7 12.888 1.956 0.748 0.565 1.000 0.833 CB 1.444 7 residues pruned to eliminate duplicates Z: 50 56.468 2.502 1.206 0.390 0.898 0.551 CB 1.830 50 residues pruned to eliminate duplicates Z: 109 102.133 2.572 1.147 0.516 0.935 0.667 CB 1.873 109 residues pruned to eliminate duplicates Z: 39 52.411 2.497 1.283 0.405 0.868 0.526 CB 1.899 39 residues pruned to eliminate duplicates Z: 49 51.026 2.501 1.092 0.386 0.833 0.667 CB 1.907 49 residues pruned to eliminate duplicates Z: 109 96.069 2.570 1.115 0.508 0.917 0.657 CB 1.841 109 residues pruned to eliminate duplicates Z: 38 57.789 2.559 1.163 0.419 0.946 0.649 CB 1.974 40 residues pruned to eliminate duplicates Z: 8 3.508 1.572 0.596 0.165 0.714 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 39 53.416 2.495 1.298 0.399 0.895 0.658 CB 1.879 39 residues pruned to eliminate duplicates Z: 37 58.282 2.575 1.152 0.444 0.944 0.556 CB 1.967 37 residues pruned to eliminate duplicates Z: 53 55.066 2.434 1.094 0.392 0.923 0.615 CB 1.819 53 residues pruned to eliminate duplicates Z: 40 54.218 2.495 1.208 0.395 0.949 0.538 CB 1.856 40 residues pruned to eliminate duplicates Z: 13 23.170 2.187 1.005 0.477 0.917 0.500 CB 1.704 13 residues pruned to eliminate duplicates Z: 106 100.895 2.584 1.092 0.515 0.943 0.629 CB 1.903 106 residues pruned to eliminate duplicates Z: 49 56.568 2.492 1.131 0.395 0.938 0.604 CB 1.832 49 residues pruned to eliminate duplicates Z: 39 52.312 2.497 1.179 0.405 0.921 0.526 CB 1.871 39 residues pruned to eliminate duplicates Z: 108 98.349 2.570 1.145 0.516 0.916 0.673 CB 1.853 108 residues pruned to eliminate duplicates Z: 49 56.215 2.513 1.082 0.407 0.917 0.604 CB 1.866 49 residues pruned to eliminate duplicates Z: 49 57.961 2.527 1.232 0.402 0.896 0.604 CB 1.836 49 residues pruned to eliminate duplicates Z: 49 58.421 2.501 1.164 0.400 0.938 0.542 CB 1.846 49 residues pruned to eliminate duplicates Z: 62 50.988 2.386 1.087 0.396 0.869 0.574 CB 1.685 62 residues pruned to eliminate duplicates Z: 22 33.452 2.335 1.123 0.438 0.905 0.524 CB 1.736 22 residues pruned to eliminate duplicates Z: 48 62.478 2.541 1.169 0.421 0.957 0.596 CB 1.875 48 residues pruned to eliminate duplicates Z: 6 11.396 2.201 0.898 0.294 1.000 0.800 CB 1.536 6 residues pruned to eliminate duplicates Z: 71 87.227 2.582 1.096 0.585 0.971 0.629 CB 1.828 71 residues pruned to eliminate duplicates Z: 70 89.588 2.585 1.136 0.584 0.942 0.667 CB 1.912 70 residues pruned to eliminate duplicates Z: 109 99.610 2.569 1.061 0.519 0.954 0.630 CB 1.862 109 residues pruned to eliminate duplicates Z: 109 100.426 2.584 1.098 0.512 0.944 0.648 CB 1.865 109 residues pruned to eliminate duplicates Z: 106 93.926 2.559 1.116 0.498 0.924 0.619 CB 1.835 106 residues pruned to eliminate duplicates Z: 70 85.682 2.600 1.100 0.579 0.957 0.667 CB 1.831 70 residues pruned to eliminate duplicates Z: 71 79.845 2.579 1.060 0.565 0.929 0.686 CB 1.816 71 residues pruned to eliminate duplicates Z: 109 86.033 2.529 1.048 0.495 0.898 0.630 CB 1.788 109 residues pruned to eliminate duplicates Z: 75 77.879 2.497 1.084 0.551 0.932 0.608 CB 1.776 75 residues pruned to eliminate duplicates Z: 109 100.536 2.572 1.136 0.517 0.935 0.676 CB 1.851 109 residues pruned to eliminate duplicates Z: 71 87.521 2.581 1.157 0.577 0.957 0.700 CB 1.823 71 residues pruned to eliminate duplicates Z: 69 84.301 2.602 1.059 0.587 0.956 0.735 CB 1.837 69 residues pruned to eliminate duplicates Z: 109 100.025 2.564 1.176 0.501 0.926 0.611 CB 1.862 109 residues pruned to eliminate duplicates Z: 107 102.093 2.582 1.113 0.530 0.943 0.613 CB 1.871 107 residues pruned to eliminate duplicates Z: 71 89.673 2.590 1.181 0.583 0.957 0.643 CB 1.831 71 residues pruned to eliminate duplicates Z: 69 89.672 2.606 1.062 0.601 0.971 0.706 CB 1.893 69 residues pruned to eliminate duplicates Z: 108 102.118 2.571 1.092 0.532 0.953 0.701 CB 1.865 108 residues pruned to eliminate duplicates Z: 71 82.438 2.560 1.062 0.581 0.943 0.686 CB 1.832 71 residues pruned to eliminate duplicates Z: 72 85.354 2.534 1.093 0.560 0.958 0.676 CB 1.881 72 residues pruned to eliminate duplicates Z: 70 89.152 2.585 1.095 0.596 0.971 0.696 CB 1.861 70 residues pruned to eliminate duplicates Z: 109 104.680 2.570 1.173 0.508 0.954 0.611 CB 1.875 109 residues pruned to eliminate duplicates Z: 108 101.465 2.568 1.097 0.522 0.953 0.692 CB 1.870 108 residues pruned to eliminate duplicates Z: 108 102.226 2.566 1.133 0.518 0.944 0.636 CB 1.878 108 residues pruned to eliminate duplicates Z: 79 77.231 2.530 0.981 0.512 0.949 0.705 CB 1.817 79 residues pruned to eliminate duplicates Z: 109 100.411 2.550 1.145 0.516 0.935 0.648 CB 1.859 109 residues pruned to eliminate duplicates Z: 72 84.671 2.533 1.170 0.573 0.958 0.676 CB 1.779 72 residues pruned to eliminate duplicates Z: 71 81.612 2.538 1.074 0.580 0.929 0.614 CB 1.848 71 residues pruned to eliminate duplicates Z: 109 100.704 2.560 1.137 0.517 0.944 0.657 CB 1.844 109 residues pruned to eliminate duplicates Z: 94 85.316 2.490 1.071 0.537 0.925 0.677 CB 1.789 94 residues pruned to eliminate duplicates Z: 106 96.799 2.571 1.050 0.531 0.933 0.667 CB 1.862 106 residues pruned to eliminate duplicates Z: 69 85.043 2.593 1.050 0.577 0.971 0.706 CB 1.856 69 residues pruned to eliminate duplicates Z: 69 90.858 2.600 1.077 0.604 0.971 0.662 CB 1.904 69 residues pruned to eliminate duplicates Z: 70 80.838 2.572 1.036 0.578 0.942 0.652 CB 1.831 70 residues pruned to eliminate duplicates Z: 71 87.837 2.589 1.099 0.599 0.971 0.600 CB 1.809 71 residues pruned to eliminate duplicates Z: 109 101.408 2.569 1.187 0.517 0.935 0.648 CB 1.826 109 residues pruned to eliminate duplicates Z: 108 104.245 2.575 1.158 0.529 0.953 0.654 CB 1.848 108 residues pruned to eliminate duplicates Z: 70 91.912 2.597 1.161 0.597 0.971 0.768 CB 1.851 70 residues pruned to eliminate duplicates Z: 109 102.057 2.577 1.145 0.513 0.954 0.676 CB 1.839 109 residues pruned to eliminate duplicates Z: 109 99.862 2.564 1.134 0.518 0.944 0.657 CB 1.828 109 residues pruned to eliminate duplicates Z: 71 83.401 2.570 1.095 0.578 0.943 0.671 CB 1.823 71 residues pruned to eliminate duplicates Z: 82 86.659 2.532 1.062 0.572 0.938 0.630 CB 1.834 82 residues pruned to eliminate duplicates Z: 74 83.539 2.511 1.118 0.569 0.959 0.630 CB 1.794 74 residues pruned to eliminate duplicates Z: 71 86.880 2.566 1.106 0.583 0.971 0.600 CB 1.826 71 residues pruned to eliminate duplicates Z: 70 84.726 2.590 1.104 0.577 0.957 0.696 CB 1.816 70 residues pruned to eliminate duplicates Z: 71 91.545 2.593 1.239 0.577 0.957 0.643 CB 1.828 71 residues pruned to eliminate duplicates Z: 71 92.617 2.564 1.252 0.588 0.971 0.657 CB 1.813 71 residues pruned to eliminate duplicates Z: 61 89.135 2.584 1.198 0.638 0.950 0.633 CB 1.875 61 residues pruned to eliminate duplicates Z: 71 86.128 2.583 1.076 0.587 0.957 0.657 CB 1.845 71 residues pruned to eliminate duplicates Z: 110 103.547 2.558 1.176 0.522 0.945 0.661 CB 1.844 110 residues pruned to eliminate duplicates Z: 109 100.097 2.566 1.160 0.519 0.935 0.620 CB 1.824 109 residues pruned to eliminate duplicates Z: 103 109.162 2.606 1.161 0.540 0.961 0.627 CB 1.920 103 residues pruned to eliminate duplicates Z: 109 103.916 2.581 1.167 0.526 0.935 0.602 CB 1.864 109 residues pruned to eliminate duplicates Z: 68 90.388 2.590 1.186 0.604 0.955 0.716 CB 1.850 68 residues pruned to eliminate duplicates Z: 109 103.437 2.555 1.197 0.516 0.944 0.676 CB 1.847 109 residues pruned to eliminate duplicates Z: 70 90.097 2.596 1.101 0.593 0.971 0.681 CB 1.874 70 residues pruned to eliminate duplicates Z: 71 91.592 2.576 1.171 0.599 0.971 0.686 CB 1.834 71 residues pruned to eliminate duplicates Z: 109 100.300 2.563 1.077 0.518 0.944 0.667 CB 1.885 109 residues pruned to eliminate duplicates Z: 110 98.852 2.550 1.117 0.522 0.927 0.596 CB 1.852 110 residues pruned to eliminate duplicates Z: 105 100.932 2.571 1.234 0.521 0.933 0.644 CB 1.809 105 residues pruned to eliminate duplicates Z: 116 93.616 2.542 1.005 0.571 0.913 0.670 CB 1.751 116 residues pruned to eliminate duplicates Z: 117 95.787 2.574 0.986 0.564 0.922 0.655 CB 1.773 117 residues pruned to eliminate duplicates Z: 119 97.763 2.551 0.997 0.547 0.949 0.661 CB 1.777 119 residues pruned to eliminate duplicates Z: 118 97.952 2.554 1.040 0.562 0.932 0.709 CB 1.758 118 residues pruned to eliminate duplicates Z: 19 31.612 2.532 0.907 0.609 0.833 0.500 CB 1.670 19 residues pruned to eliminate duplicates Z: 28 45.183 2.609 0.932 0.578 0.852 0.556 CB 1.879 28 residues pruned to eliminate duplicates Z: 71 50.950 2.415 0.916 0.471 0.871 0.600 CB 1.555 71 residues pruned to eliminate duplicates Z: 55 52.580 2.425 1.041 0.529 0.870 0.611 CB 1.614 55 residues pruned to eliminate duplicates Z: 116 93.261 2.532 1.042 0.564 0.913 0.652 CB 1.731 116 residues pruned to eliminate duplicates Z: 58 52.323 2.432 0.962 0.523 0.912 0.667 CB 1.557 58 residues pruned to eliminate duplicates Z: 156 113.915 2.545 1.118 0.520 0.923 0.671 CB 1.804 156 residues pruned to eliminate duplicates Z: 156 109.788 2.552 1.025 0.521 0.923 0.645 CB 1.812 156 residues pruned to eliminate duplicates Z: 42 50.277 2.583 0.951 0.559 0.854 0.659 CB 1.723 42 residues pruned to eliminate duplicates Z: 66 50.651 2.420 0.920 0.493 0.877 0.646 CB 1.553 66 residues pruned to eliminate duplicates Z: 156 113.834 2.539 1.139 0.517 0.935 0.697 CB 1.769 156 residues pruned to eliminate duplicates Z: 28 47.432 2.644 1.047 0.545 0.889 0.593 CB 1.815 28 residues pruned to eliminate duplicates Z: 47 61.677 2.562 1.053 0.584 0.935 0.696 CB 1.706 47 residues pruned to eliminate duplicates Z: 135 107.115 2.572 1.125 0.523 0.918 0.672 CB 1.803 135 residues pruned to eliminate duplicates Z: 22 45.321 2.639 1.002 0.594 0.952 0.571 CB 1.796 22 residues pruned to eliminate duplicates Z: 51 52.852 2.471 1.033 0.546 0.900 0.600 CB 1.579 51 residues pruned to eliminate duplicates Z: 96 95.464 2.605 1.103 0.559 0.926 0.632 CB 1.823 96 residues pruned to eliminate duplicates Z: 43 50.421 2.479 1.066 0.562 0.905 0.595 CB 1.581 43 residues pruned to eliminate duplicates Z: 32 36.595 2.471 0.952 0.479 0.903 0.645 CB 1.541 32 residues pruned to eliminate duplicates Z: 118 100.345 2.570 1.103 0.551 0.923 0.632 CB 1.770 118 residues pruned to eliminate duplicates Z: 42 44.513 2.496 0.915 0.552 0.902 0.585 CB 1.532 42 residues pruned to eliminate duplicates Z: 48 51.720 2.428 1.059 0.485 0.894 0.681 CB 1.714 48 residues pruned to eliminate duplicates Z: 50 45.774 2.382 1.040 0.497 0.837 0.633 CB 1.613 50 residues pruned to eliminate duplicates Z: 52 49.244 2.493 0.972 0.509 0.863 0.608 CB 1.611 52 residues pruned to eliminate duplicates Z: 51 51.109 2.457 1.067 0.533 0.860 0.620 CB 1.603 51 residues pruned to eliminate duplicates Z: 46 47.668 2.469 0.951 0.527 0.911 0.556 CB 1.577 46 residues pruned to eliminate duplicates Z: 47 56.069 2.539 1.056 0.561 0.913 0.739 CB 1.636 47 residues pruned to eliminate duplicates Z: 33 31.040 2.373 0.757 0.472 0.875 0.688 CB 1.547 33 residues pruned to eliminate duplicates Z: 47 59.072 2.565 1.114 0.551 0.891 0.674 CB 1.714 47 residues pruned to eliminate duplicates Z: 115 68.527 2.361 1.106 0.455 0.895 0.544 CB 1.510 115 residues pruned to eliminate duplicates Z: 11 21.620 2.407 0.531 0.746 0.900 0.800 CB 1.654 11 residues pruned to eliminate duplicates Z: 135 103.883 2.563 1.075 0.525 0.933 0.657 CB 1.766 135 residues pruned to eliminate duplicates Z: 18 24.744 2.397 0.778 0.433 0.882 0.471 CB 1.710 18 residues pruned to eliminate duplicates Z: 20 26.740 2.366 1.057 0.501 0.842 0.632 CB 1.495 20 residues pruned to eliminate duplicates Z: 50 53.385 2.505 0.966 0.534 0.918 0.633 CB 1.630 50 residues pruned to eliminate duplicates Z: 154 115.298 2.569 1.087 0.532 0.928 0.641 CB 1.815 154 residues pruned to eliminate duplicates Z: 20 19.604 2.235 1.028 0.370 0.789 0.421 CB 1.445 20 residues pruned to eliminate duplicates Z: 33 30.123 2.318 0.839 0.472 0.875 0.625 CB 1.468 33 residues pruned to eliminate duplicates Z: 48 50.004 2.546 0.942 0.535 0.872 0.617 CB 1.635 48 residues pruned to eliminate duplicates Z: 155 116.178 2.564 1.121 0.527 0.935 0.649 CB 1.792 155 residues pruned to eliminate duplicates Z: 33 34.770 2.391 1.048 0.458 0.844 0.594 CB 1.554 33 residues pruned to eliminate duplicates Z: 59 54.998 2.486 1.009 0.507 0.879 0.638 CB 1.633 59 residues pruned to eliminate duplicates Z: 48 56.318 2.539 1.047 0.558 0.915 0.660 CB 1.633 48 residues pruned to eliminate duplicates Z: 54 49.119 2.452 1.010 0.493 0.868 0.679 CB 1.589 54 residues pruned to eliminate duplicates Z: 51 54.920 2.443 1.091 0.554 0.920 0.680 CB 1.568 51 residues pruned to eliminate duplicates Z: 44 32.796 2.285 0.883 0.419 0.860 0.605 CB 1.470 44 residues pruned to eliminate duplicates Z: 79 42.596 2.310 0.946 0.422 0.846 0.513 CB 1.375 79 residues pruned to eliminate duplicates Z: 55 51.583 2.426 1.006 0.501 0.889 0.556 CB 1.620 55 residues pruned to eliminate duplicates Z: 55 57.301 2.471 1.099 0.561 0.889 0.611 CB 1.594 55 residues pruned to eliminate duplicates Z: 25 25.703 2.265 0.922 0.382 0.958 0.542 CB 1.425 25 residues pruned to eliminate duplicates Z: 29 21.844 2.224 0.884 0.303 0.857 0.393 CB 1.432 29 residues pruned to eliminate duplicates Z: 12 15.212 2.162 0.790 0.336 1.000 0.545 CB 1.417 12 residues pruned to eliminate duplicates Z: 27 25.613 2.304 0.978 0.337 0.885 0.538 CB 1.489 27 residues pruned to eliminate duplicates Z: 41 27.014 2.212 0.958 0.287 0.825 0.425 CB 1.519 41 residues pruned to eliminate duplicates Z: 28 14.919 2.069 0.672 0.327 0.778 0.481 CB 1.291 28 residues pruned to eliminate duplicates Z: 30 23.823 2.286 1.035 0.311 0.862 0.517 CB 1.360 30 residues pruned to eliminate duplicates Z: 22 22.600 2.218 1.056 0.325 0.810 0.429 CB 1.619 22 residues pruned to eliminate duplicates Z: 56 36.552 2.252 0.949 0.423 0.873 0.400 CB 1.394 56 residues pruned to eliminate duplicates Z: 62 40.648 2.304 0.937 0.443 0.852 0.459 CB 1.452 62 residues pruned to eliminate duplicates Z: 70 54.627 2.406 1.038 0.471 0.899 0.652 CB 1.538 70 residues pruned to eliminate duplicates Z: 28 24.167 2.282 0.965 0.352 0.852 0.444 CB 1.430 28 residues pruned to eliminate duplicates Z: 18 14.856 2.273 0.876 0.313 0.824 0.353 CB 1.263 18 residues pruned to eliminate duplicates Z: 95 52.803 2.366 0.974 0.430 0.840 0.500 CB 1.493 95 residues pruned to eliminate duplicates Z: 13 8.760 1.967 0.645 0.300 0.833 0.167 CB 1.173 13 residues pruned to eliminate duplicates Z: 62 35.943 2.239 0.973 0.396 0.852 0.475 CB 1.364 62 residues pruned to eliminate duplicates Z: 30 23.352 2.216 1.086 0.309 0.862 0.448 CB 1.346 30 residues pruned to eliminate duplicates Z: 63 39.162 2.232 1.060 0.408 0.871 0.516 CB 1.368 63 residues pruned to eliminate duplicates Z: 59 35.696 2.235 1.053 0.384 0.845 0.517 CB 1.368 59 residues pruned to eliminate duplicates Z: 16 16.057 2.311 0.926 0.352 0.800 0.400 CB 1.367 16 residues pruned to eliminate duplicates Z: 16 17.750 2.280 1.168 0.328 0.800 0.400 CB 1.399 16 residues pruned to eliminate duplicates Z: 52 35.965 2.247 0.996 0.417 0.863 0.510 CB 1.420 52 residues pruned to eliminate duplicates Z: 51 30.783 2.157 0.983 0.390 0.840 0.500 CB 1.361 51 residues pruned to eliminate duplicates Z: 36 30.922 2.211 1.003 0.464 0.857 0.486 CB 1.428 36 residues pruned to eliminate duplicates Z: 53 33.085 2.180 1.001 0.405 0.846 0.500 CB 1.374 53 residues pruned to eliminate duplicates Z: 47 34.567 2.224 0.989 0.456 0.891 0.478 CB 1.353 47 residues pruned to eliminate duplicates Z: 38 33.252 2.209 1.078 0.478 0.892 0.514 CB 1.365 38 residues pruned to eliminate duplicates Z: 64 37.247 2.220 0.959 0.391 0.889 0.540 CB 1.363 64 residues pruned to eliminate duplicates Z: 65 38.460 2.233 1.042 0.409 0.859 0.484 CB 1.349 65 residues pruned to eliminate duplicates Z: 60 31.437 2.201 0.946 0.391 0.831 0.576 CB 1.291 60 residues pruned to eliminate duplicates Z: 37 30.759 2.183 1.120 0.493 0.861 0.500 CB 1.296 37 residues pruned to eliminate duplicates Z: 40 27.891 2.105 0.889 0.426 0.923 0.513 CB 1.314 40 residues pruned to eliminate duplicates Z: 37 33.795 2.221 1.075 0.478 0.889 0.528 CB 1.406 37 residues pruned to eliminate duplicates Z: 12 26.753 2.129 1.127 0.731 0.909 0.455 CA 1.592 12 residues pruned to eliminate duplicates Z: 184 101.636 2.433 1.062 0.501 0.923 0.574 CB 1.620 184 residues pruned to eliminate duplicates Z: 59 36.533 2.178 1.059 0.412 0.845 0.448 CB 1.388 59 residues pruned to eliminate duplicates Z: 51 39.145 2.277 1.097 0.437 0.880 0.500 CB 1.407 51 residues pruned to eliminate duplicates Z: 37 31.705 2.207 1.034 0.463 0.889 0.444 CB 1.375 37 residues pruned to eliminate duplicates Z: 38 33.508 2.174 1.000 0.484 0.919 0.486 CB 1.401 38 residues pruned to eliminate duplicates Z: 37 31.268 2.187 0.973 0.498 0.889 0.389 CB 1.360 37 residues pruned to eliminate duplicates Z: 47 27.384 2.145 1.033 0.400 0.826 0.543 CB 1.246 47 residues pruned to eliminate duplicates Z: 37 33.295 2.192 1.071 0.465 0.917 0.556 CB 1.381 37 residues pruned to eliminate duplicates Z: 64 39.160 2.231 1.038 0.393 0.889 0.524 CB 1.366 64 residues pruned to eliminate duplicates Z: 20 34.742 2.309 1.128 0.567 0.947 0.684 CB 1.605 20 residues pruned to eliminate duplicates Z: 26 33.103 2.250 1.038 0.507 0.920 0.520 CB 1.558 26 residues pruned to eliminate duplicates Z: 37 31.766 2.195 1.003 0.468 0.889 0.472 CB 1.399 37 residues pruned to eliminate duplicates Z: 13 21.966 2.310 1.057 0.424 0.917 0.833 CB 1.576 13 residues pruned to eliminate duplicates Z: 17 13.163 2.126 0.835 0.333 0.750 0.562 CB 1.351 17 residues pruned to eliminate duplicates Z: 64 35.963 2.201 0.921 0.400 0.889 0.571 CB 1.340 64 residues pruned to eliminate duplicates Z: 111 63.061 2.310 1.021 0.462 0.927 0.564 CB 1.444 111 residues pruned to eliminate duplicates Z: 39 29.456 2.158 0.957 0.477 0.868 0.579 CB 1.333 39 residues pruned to eliminate duplicates Z: 14 22.289 2.256 0.841 0.574 1.000 0.692 CB 1.386 15 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 219 B: 218 CC for partial structure against native data = 46.23 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.786, Connect. = 0.779 for dens.mod. cycle 1 = 0.300, Contrast = 0.895, Connect. = 0.806 for dens.mod. cycle 2 = 0.300, Contrast = 1.106, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.136, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.163, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.169, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.178, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.179, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.182, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.181, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2752 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 589 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 71.088 2.687 1.046 0.928 1.000 0.773 CA 1.931 B: 161 110.506 2.524 1.098 0.520 0.925 0.625 CB 1.748 C: 23 59.555 2.695 0.922 0.844 0.955 0.818 CA 1.911 23 residues pruned to eliminate duplicates D: 23 68.297 2.658 1.074 0.904 1.000 0.727 CA 1.880 23 residues pruned to eliminate duplicates E: 24 59.536 2.557 0.786 0.927 1.000 0.826 CA 1.906 24 residues pruned to eliminate duplicates F: 23 68.827 2.655 1.059 0.938 1.000 0.955 CA 1.867 23 residues pruned to eliminate duplicates G: 13 46.135 2.624 1.364 0.875 0.917 0.750 CB 1.704 13 residues pruned to eliminate duplicates H: 15 55.845 2.558 1.316 0.851 1.000 0.714 CA 1.864 15 residues pruned to eliminate duplicates I: 23 64.415 2.666 1.128 0.862 0.909 0.636 CA 1.955 23 residues pruned to eliminate duplicates J: 46 44.444 2.518 0.961 0.390 0.889 0.533 CB 1.696 23 residues pruned to eliminate duplicates K: 16 36.330 2.420 1.052 0.904 0.933 0.533 CB 1.441 L: 23 61.858 2.601 0.891 0.908 1.000 0.909 CA 1.905 23 residues pruned to eliminate duplicates M: 24 58.619 2.576 0.755 0.924 1.000 0.913 CA 1.899 24 residues pruned to eliminate duplicates N: 16 40.813 2.467 1.263 0.798 0.933 0.733 CB 1.558 16 residues pruned to eliminate duplicates O: 23 59.513 2.663 0.993 0.860 0.909 0.727 CA 1.934 23 residues pruned to eliminate duplicates P: 16 43.864 2.403 1.300 0.881 0.933 0.533 CB 1.589 16 residues pruned to eliminate duplicates Q: 22 52.487 2.723 0.505 0.930 1.000 0.810 CA 1.953 22 residues pruned to eliminate duplicates R: 22 60.740 2.650 0.792 0.913 1.000 0.857 CB 1.974 22 residues pruned to eliminate duplicates S: 30 21.483 2.316 0.700 0.327 0.793 0.448 CB 1.545 28 residues pruned to eliminate duplicates T: 15 45.364 2.552 1.422 0.783 0.857 0.714 CB 1.783 15 residues pruned to eliminate duplicates U: 16 42.107 2.409 1.191 0.869 1.000 0.867 CB 1.505 16 residues pruned to eliminate duplicates V: 15 42.060 2.418 1.073 0.863 1.000 0.714 CA 1.645 16 residues pruned to eliminate duplicates W: 23 59.021 2.619 1.027 0.918 0.909 0.545 CB 1.839 23 residues pruned to eliminate duplicates X: 16 34.637 2.433 1.006 0.847 0.933 0.467 CB 1.458 16 residues pruned to eliminate duplicates Y: 28 31.473 2.451 1.041 0.342 0.852 0.556 CB 1.687 28 residues pruned to eliminate duplicates Z: 23 71.534 2.664 1.114 0.919 1.000 0.682 CA 1.908 23 residues pruned to eliminate duplicates Z: 23 66.308 2.634 1.006 0.921 1.000 0.682 CB 1.882 23 residues pruned to eliminate duplicates Z: 23 55.207 2.537 0.784 0.928 1.000 0.818 CB 1.821 23 residues pruned to eliminate duplicates Z: 23 75.720 2.678 1.111 0.922 1.000 0.773 CA 2.008 23 residues pruned to eliminate duplicates Z: 23 74.330 2.631 1.172 0.915 1.000 0.636 CA 1.959 23 residues pruned to eliminate duplicates Z: 111 85.607 2.469 1.023 0.494 0.936 0.627 CB 1.756 111 residues pruned to eliminate duplicates Z: 52 35.916 2.387 0.841 0.389 0.863 0.529 CB 1.492 29 residues pruned to eliminate duplicates Z: 12 42.160 2.448 1.315 0.790 1.000 0.818 CA 1.739 14 residues pruned to eliminate duplicates Z: 24 61.626 2.548 0.934 0.931 0.957 0.609 CA 1.905 24 residues pruned to eliminate duplicates Z: 23 64.997 2.645 0.966 0.918 1.000 0.864 CA 1.879 23 residues pruned to eliminate duplicates Z: 22 63.964 2.687 0.964 0.915 0.952 0.762 CA 1.962 22 residues pruned to eliminate duplicates Z: 51 51.832 2.471 0.932 0.528 0.920 0.600 CB 1.623 15 residues pruned to eliminate duplicates Z: 47 36.413 2.400 0.740 0.500 0.891 0.652 CB 1.442 47 residues pruned to eliminate duplicates Z: 23 66.366 2.664 0.985 0.918 1.000 0.727 CA 1.888 23 residues pruned to eliminate duplicates Z: 23 62.591 2.651 0.816 0.933 1.000 0.864 CB 1.934 23 residues pruned to eliminate duplicates Z: 15 46.935 2.528 1.118 0.855 1.000 0.786 CA 1.729 15 residues pruned to eliminate duplicates Z: 13 47.459 2.556 1.188 0.928 1.000 0.917 CA 1.716 13 residues pruned to eliminate duplicates Z: 24 61.266 2.522 0.973 0.928 0.957 0.783 CA 1.879 24 residues pruned to eliminate duplicates Z: 10 18.293 2.336 0.693 0.851 0.889 0.667 CB 1.283 10 residues pruned to eliminate duplicates Z: 24 67.742 2.550 1.139 0.940 0.957 0.783 CB 1.880 24 residues pruned to eliminate duplicates Z: 72 82.093 2.555 1.045 0.569 0.958 0.662 CB 1.821 23 residues pruned to eliminate duplicates Z: 9 23.938 2.107 1.025 0.782 0.875 0.375 CB 1.768 9 residues pruned to eliminate duplicates Z: 25 65.660 2.452 1.185 0.896 1.000 0.792 CA 1.791 25 residues pruned to eliminate duplicates Z: 107 96.170 2.538 1.134 0.506 0.943 0.642 CB 1.817 72 residues pruned to eliminate duplicates Z: 63 52.355 2.477 1.116 0.432 0.887 0.532 CB 1.534 49 residues pruned to eliminate duplicates Z: 40 50.430 2.502 1.217 0.403 0.872 0.590 CB 1.850 39 residues pruned to eliminate duplicates Z: 23 73.911 2.668 1.140 0.915 1.000 0.682 CA 1.950 23 residues pruned to eliminate duplicates Z: 21 13.445 2.233 0.810 0.319 0.750 0.350 CB 1.212 21 residues pruned to eliminate duplicates Z: 15 37.091 2.515 1.100 0.924 0.857 0.714 CB 1.537 15 residues pruned to eliminate duplicates Z: 109 90.028 2.480 1.068 0.510 0.944 0.657 CB 1.770 109 residues pruned to eliminate duplicates Z: 30 33.199 2.342 1.012 0.315 0.862 0.552 CB 1.861 30 residues pruned to eliminate duplicates Z: 50 48.026 2.401 1.030 0.395 0.918 0.592 CB 1.713 51 residues pruned to eliminate duplicates Z: 10 24.967 2.390 0.518 0.857 1.000 0.778 CB 1.690 10 residues pruned to eliminate duplicates Z: 40 54.924 2.513 1.199 0.404 0.949 0.590 CB 1.856 40 residues pruned to eliminate duplicates Z: 70 84.772 2.596 1.083 0.588 0.942 0.609 CB 1.841 70 residues pruned to eliminate duplicates Z: 40 36.727 2.385 0.988 0.347 0.846 0.487 CB 1.731 40 residues pruned to eliminate duplicates Z: 22 55.769 2.653 0.734 0.904 0.952 0.857 CA 1.978 22 residues pruned to eliminate duplicates Z: 38 35.613 2.434 0.817 0.455 0.838 0.649 CB 1.654 38 residues pruned to eliminate duplicates Z: 108 99.940 2.572 1.119 0.531 0.935 0.645 CB 1.840 108 residues pruned to eliminate duplicates Z: 36 43.826 2.426 1.032 0.380 0.943 0.714 CB 1.812 36 residues pruned to eliminate duplicates Z: 39 35.757 2.209 1.140 0.433 0.921 0.474 CB 1.427 Z: 50 49.181 2.398 1.106 0.381 0.898 0.592 CB 1.759 49 residues pruned to eliminate duplicates Z: 13 25.577 2.224 0.947 0.690 0.917 0.667 CA 1.563 13 residues pruned to eliminate duplicates Z: 56 44.411 2.413 0.931 0.453 0.836 0.545 CB 1.612 56 residues pruned to eliminate duplicates Z: 77 67.234 2.434 1.072 0.433 0.921 0.645 CB 1.780 77 residues pruned to eliminate duplicates Z: 51 52.926 2.565 0.941 0.526 0.880 0.640 CB 1.665 51 residues pruned to eliminate duplicates Z: 61 53.571 2.477 0.982 0.539 0.850 0.667 CB 1.595 51 residues pruned to eliminate duplicates Z: 64 39.265 2.236 0.908 0.417 0.889 0.524 CB 1.423 52 residues pruned to eliminate duplicates Z: 107 97.883 2.565 1.066 0.528 0.934 0.642 CB 1.870 107 residues pruned to eliminate duplicates Z: 36 49.504 2.489 1.190 0.444 0.886 0.657 CB 1.836 37 residues pruned to eliminate duplicates Z: 108 89.530 2.503 0.971 0.521 0.963 0.682 CB 1.784 108 residues pruned to eliminate duplicates Z: 23 61.818 2.649 0.932 0.913 0.955 0.727 CA 1.909 23 residues pruned to eliminate duplicates Z: 109 98.242 2.537 1.086 0.515 0.944 0.620 CB 1.864 109 residues pruned to eliminate duplicates Z: 21 63.124 2.679 0.859 0.927 1.000 0.850 CA 1.987 21 residues pruned to eliminate duplicates Z: 128 92.029 2.494 1.010 0.530 0.929 0.630 CB 1.703 128 residues pruned to eliminate duplicates Z: 59 77.662 2.569 1.082 0.621 0.931 0.724 CB 1.827 59 residues pruned to eliminate duplicates Z: 26 21.698 2.248 0.848 0.399 0.840 0.440 CB 1.384 26 residues pruned to eliminate duplicates Z: 71 78.619 2.579 0.984 0.575 0.943 0.671 CB 1.811 71 residues pruned to eliminate duplicates Z: 81 90.377 2.548 1.093 0.578 0.963 0.625 CB 1.827 81 residues pruned to eliminate duplicates Z: 16 41.261 2.415 1.097 0.818 0.933 0.733 CA 1.710 16 residues pruned to eliminate duplicates Z: 39 52.120 2.489 1.118 0.424 0.947 0.632 CB 1.832 39 residues pruned to eliminate duplicates Z: 51 41.261 2.385 0.930 0.376 0.860 0.560 CB 1.682 51 residues pruned to eliminate duplicates Z: 70 84.623 2.601 1.047 0.572 0.957 0.623 CB 1.867 70 residues pruned to eliminate duplicates Z: 49 52.476 2.430 1.124 0.423 0.917 0.667 CB 1.733 49 residues pruned to eliminate duplicates Z: 23 64.806 2.591 1.018 0.896 1.000 0.773 CA 1.893 23 residues pruned to eliminate duplicates Z: 47 38.257 2.427 1.086 0.395 0.826 0.522 CB 1.507 47 residues pruned to eliminate duplicates Z: 13 22.659 1.941 0.797 0.817 1.000 0.750 CA 1.424 13 residues pruned to eliminate duplicates Z: 24 49.092 2.478 0.644 0.896 1.000 0.826 CA 1.800 24 residues pruned to eliminate duplicates Z: 137 102.808 2.534 1.090 0.536 0.912 0.691 CB 1.763 137 residues pruned to eliminate duplicates Z: 68 73.431 2.559 0.875 0.569 0.970 0.716 CB 1.803 68 residues pruned to eliminate duplicates Z: 16 20.754 2.029 1.015 0.661 0.800 0.467 CA 1.412 16 residues pruned to eliminate duplicates Z: 68 49.026 2.391 1.069 0.475 0.821 0.537 CB 1.513 68 residues pruned to eliminate duplicates Z: 16 37.483 2.348 1.274 0.796 0.933 0.733 CB 1.498 16 residues pruned to eliminate duplicates Z: 6 11.992 2.082 0.945 0.296 1.000 0.600 C 1.664 6 residues pruned to eliminate duplicates Z: 39 45.219 2.401 1.110 0.407 0.895 0.553 CB 1.784 39 residues pruned to eliminate duplicates Z: 51 51.086 2.400 1.203 0.390 0.920 0.540 CB 1.669 51 residues pruned to eliminate duplicates Z: 70 80.980 2.581 1.024 0.589 0.942 0.623 CB 1.818 70 residues pruned to eliminate duplicates Z: 14 36.405 2.611 0.804 0.894 0.923 0.308 CB 1.666 14 residues pruned to eliminate duplicates Z: 138 96.007 2.500 0.987 0.529 0.920 0.642 CB 1.744 139 residues pruned to eliminate duplicates Z: 13 13.784 2.184 0.697 0.299 0.917 0.583 CA 1.466 13 residues pruned to eliminate duplicates Z: 109 98.573 2.568 1.122 0.510 0.935 0.639 CB 1.843 109 residues pruned to eliminate duplicates Z: 39 42.995 2.426 0.945 0.392 0.895 0.526 CB 1.852 39 residues pruned to eliminate duplicates Z: 23 66.776 2.664 1.005 0.933 1.000 0.909 CA 1.861 23 residues pruned to eliminate duplicates Z: 66 88.694 2.545 1.116 0.619 0.985 0.723 CB 1.854 66 residues pruned to eliminate duplicates Z: 14 46.761 2.536 1.379 0.801 0.923 0.538 CB 1.790 14 residues pruned to eliminate duplicates Z: 16 34.282 2.292 1.198 0.845 0.933 0.667 CB 1.400 16 residues pruned to eliminate duplicates Z: 15 30.839 2.342 0.949 0.817 0.857 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 24 74.978 2.554 1.276 0.915 1.000 0.609 CA 1.901 24 residues pruned to eliminate duplicates Z: 11 19.277 2.136 0.750 0.821 0.900 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 41 42.624 2.370 1.092 0.378 0.925 0.525 CB 1.674 41 residues pruned to eliminate duplicates Z: 27 39.786 2.542 1.090 0.359 0.885 0.615 CA 1.933 27 residues pruned to eliminate duplicates Z: 13 29.142 2.225 0.874 0.763 1.000 0.500 CB 1.598 13 residues pruned to eliminate duplicates Z: 39 85.684 2.692 1.197 0.705 0.974 0.737 CB 2.002 39 residues pruned to eliminate duplicates Z: 6 4.646 2.033 0.493 0.529 0.800 0.400 CB 0.831 6 residues pruned to eliminate duplicates Z: 68 48.534 2.369 0.969 0.450 0.851 0.597 CB 1.572 68 residues pruned to eliminate duplicates Z: 10 14.864 2.145 0.540 0.771 0.778 0.556 CB 1.517 10 residues pruned to eliminate duplicates Z: 11 22.463 2.072 0.962 0.786 1.000 0.500 CA 1.359 11 residues pruned to eliminate duplicates Z: 51 50.509 2.473 0.965 0.546 0.860 0.620 CB 1.634 51 residues pruned to eliminate duplicates Z: 39 48.046 2.498 1.167 0.385 0.868 0.553 CB 1.873 39 residues pruned to eliminate duplicates Z: 9 18.398 2.462 0.234 0.885 1.000 0.875 CA 1.546 9 residues pruned to eliminate duplicates Z: 13 26.224 2.258 0.763 0.848 1.000 0.917 CB 1.411 13 residues pruned to eliminate duplicates Z: 109 90.132 2.508 1.058 0.508 0.944 0.602 CB 1.766 109 residues pruned to eliminate duplicates Z: 23 76.515 2.631 1.290 0.917 1.000 0.682 CA 1.911 23 residues pruned to eliminate duplicates Z: 23 42.372 2.511 0.615 0.891 0.955 0.727 CA 1.678 23 residues pruned to eliminate duplicates Z: 8 14.257 2.313 1.293 0.361 0.857 0.571 CB 1.377 8 residues pruned to eliminate duplicates Z: 90 76.231 2.439 0.943 0.526 0.955 0.663 CB 1.739 90 residues pruned to eliminate duplicates Z: 23 65.919 2.646 0.945 0.925 1.000 0.636 CA 1.917 23 residues pruned to eliminate duplicates Z: 9 25.915 2.210 1.561 0.584 1.000 0.625 CB 1.493 9 residues pruned to eliminate duplicates Z: 32 18.990 2.119 0.775 0.363 0.774 0.387 CB 1.357 32 residues pruned to eliminate duplicates Z: 12 27.977 2.071 0.885 0.818 1.000 0.909 CB 1.639 12 residues pruned to eliminate duplicates Z: 10 13.232 2.239 0.710 0.498 0.778 0.667 CB 1.484 10 residues pruned to eliminate duplicates Z: 108 105.647 2.567 1.194 0.525 0.944 0.664 CB 1.874 108 residues pruned to eliminate duplicates Z: 182 108.614 2.543 1.090 0.483 0.884 0.630 CB 1.748 182 residues pruned to eliminate duplicates Z: 108 90.425 2.504 1.032 0.515 0.953 0.664 CB 1.776 108 residues pruned to eliminate duplicates Z: 23 62.643 2.573 0.921 0.931 1.000 0.864 CB 1.888 23 residues pruned to eliminate duplicates Z: 70 78.123 2.511 1.052 0.577 0.942 0.652 CB 1.799 70 residues pruned to eliminate duplicates Z: 10 39.574 2.574 0.914 0.912 1.000 0.778 CB 1.897 10 residues pruned to eliminate duplicates Z: 149 94.310 2.516 0.990 0.486 0.892 0.615 CB 1.760 149 residues pruned to eliminate duplicates Z: 106 98.946 2.579 1.083 0.536 0.943 0.657 CB 1.841 106 residues pruned to eliminate duplicates Z: 69 89.663 2.617 1.108 0.616 0.956 0.721 CB 1.848 69 residues pruned to eliminate duplicates Z: 40 53.685 2.500 1.267 0.397 0.923 0.538 CB 1.831 40 residues pruned to eliminate duplicates Z: 13 27.680 2.278 0.864 0.763 0.917 0.667 CA 1.626 13 residues pruned to eliminate duplicates Z: 13 29.073 2.272 0.807 0.772 1.000 0.750 CB 1.607 13 residues pruned to eliminate duplicates Z: 108 85.418 2.510 0.992 0.524 0.925 0.664 CB 1.743 108 residues pruned to eliminate duplicates Z: 63 44.315 2.450 0.947 0.423 0.871 0.548 CB 1.469 63 residues pruned to eliminate duplicates Z: 6 10.309 2.130 0.417 0.769 1.000 0.800 CB 1.203 6 residues pruned to eliminate duplicates Z: 108 92.542 2.502 1.057 0.521 0.935 0.673 CB 1.821 108 residues pruned to eliminate duplicates Z: 22 48.458 2.599 0.747 0.926 0.905 0.762 CB 1.806 22 residues pruned to eliminate duplicates Z: 108 85.914 2.471 1.013 0.504 0.953 0.589 CB 1.744 108 residues pruned to eliminate duplicates Z: 107 88.362 2.510 1.069 0.507 0.934 0.623 CB 1.758 107 residues pruned to eliminate duplicates Z: 10 13.745 2.373 0.638 0.518 0.778 0.667 CB 1.490 10 residues pruned to eliminate duplicates Z: 108 92.031 2.491 1.076 0.520 0.944 0.664 CB 1.786 108 residues pruned to eliminate duplicates Z: 22 38.675 2.297 1.280 0.519 0.952 0.524 CB 1.660 22 residues pruned to eliminate duplicates Z: 30 46.810 2.672 0.872 0.560 0.897 0.793 CB 1.829 30 residues pruned to eliminate duplicates Z: 22 48.857 2.620 1.105 0.605 0.952 0.429 CA 1.837 22 residues pruned to eliminate duplicates Z: 134 98.973 2.541 0.986 0.522 0.940 0.662 CB 1.770 134 residues pruned to eliminate duplicates Z: 59 76.104 2.586 0.989 0.625 0.966 0.569 CB 1.789 59 residues pruned to eliminate duplicates Z: 23 70.697 2.647 1.115 0.922 1.000 0.818 CA 1.893 23 residues pruned to eliminate duplicates Z: 6 5.417 1.660 -0.033 0.738 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 37 29.974 2.174 0.907 0.491 0.889 0.500 CB 1.368 37 residues pruned to eliminate duplicates Z: 7 7.859 1.989 0.772 0.248 0.833 0.500 CB 1.461 Z: 49 46.799 2.548 0.832 0.502 0.875 0.562 CB 1.650 49 residues pruned to eliminate duplicates Z: 40 39.459 2.357 1.024 0.388 0.872 0.615 CB 1.711 40 residues pruned to eliminate duplicates Z: 40 45.234 2.445 1.143 0.373 0.897 0.641 CB 1.765 40 residues pruned to eliminate duplicates Z: 53 35.731 2.195 0.998 0.401 0.885 0.577 CB 1.418 53 residues pruned to eliminate duplicates Z: 12 21.472 2.024 0.646 0.749 1.000 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 109 86.593 2.483 1.020 0.499 0.944 0.620 CB 1.761 109 residues pruned to eliminate duplicates Z: 61 41.112 2.414 0.773 0.491 0.800 0.600 CB 1.564 68 residues pruned to eliminate duplicates Z: 23 73.316 2.652 1.192 0.930 0.955 0.591 CA 1.969 23 residues pruned to eliminate duplicates Z: 11 22.273 2.133 0.666 0.885 1.000 0.600 CA 1.431 11 residues pruned to eliminate duplicates Z: 22 71.905 2.677 1.187 0.928 1.000 0.619 CB 1.877 22 residues pruned to eliminate duplicates Z: 23 66.306 2.658 1.068 0.875 0.955 0.727 CA 1.960 23 residues pruned to eliminate duplicates Z: 23 51.038 2.609 0.684 0.880 0.955 0.909 CA 1.880 23 residues pruned to eliminate duplicates Z: 10 22.711 2.164 1.163 0.908 1.000 0.778 CB 1.149 10 residues pruned to eliminate duplicates Z: 12 25.344 2.077 0.882 0.763 1.000 0.727 CB 1.549 12 residues pruned to eliminate duplicates Z: 23 55.813 2.586 0.839 0.918 1.000 0.955 CA 1.764 23 residues pruned to eliminate duplicates Z: 23 71.375 2.586 1.209 0.890 1.000 0.727 CA 1.916 23 residues pruned to eliminate duplicates Z: 70 82.774 2.581 1.057 0.564 0.957 0.696 CB 1.845 70 residues pruned to eliminate duplicates Z: 34 37.121 2.355 0.988 0.416 0.879 0.606 CB 1.715 34 residues pruned to eliminate duplicates Z: 16 23.532 2.321 1.327 0.474 0.800 0.667 CB 1.444 16 residues pruned to eliminate duplicates Z: 133 97.110 2.579 0.968 0.529 0.917 0.689 CB 1.766 133 residues pruned to eliminate duplicates Z: 39 36.836 2.458 1.056 0.425 0.868 0.447 CB 1.473 39 residues pruned to eliminate duplicates Z: 67 61.105 2.424 0.989 0.451 0.939 0.652 CB 1.745 67 residues pruned to eliminate duplicates Z: 16 31.845 2.334 0.578 0.917 1.000 0.867 CA 1.576 16 residues pruned to eliminate duplicates Z: 108 93.313 2.505 1.056 0.527 0.953 0.636 CB 1.790 108 residues pruned to eliminate duplicates Z: 23 28.976 2.401 0.969 0.330 0.909 0.636 CB 1.731 23 residues pruned to eliminate duplicates Z: 56 37.915 2.250 0.960 0.422 0.891 0.600 CB 1.412 56 residues pruned to eliminate duplicates Z: 63 40.528 2.246 0.927 0.450 0.887 0.532 CB 1.411 63 residues pruned to eliminate duplicates Z: 70 75.248 2.515 0.990 0.561 0.971 0.681 CB 1.758 70 residues pruned to eliminate duplicates Z: 105 92.881 2.513 1.090 0.520 0.942 0.692 CB 1.804 105 residues pruned to eliminate duplicates Z: 13 25.276 2.267 0.706 0.746 1.000 0.750 CB 1.515 13 residues pruned to eliminate duplicates Z: 41 54.733 2.553 1.076 0.556 0.900 0.525 CB 1.717 41 residues pruned to eliminate duplicates Z: 23 69.634 2.613 1.167 0.905 1.000 0.727 CA 1.866 23 residues pruned to eliminate duplicates Z: 18 19.262 2.427 1.335 0.281 0.765 0.353 CB 1.380 18 residues pruned to eliminate duplicates Z: 10 15.261 2.117 0.361 0.877 0.889 0.778 CB 1.442 10 residues pruned to eliminate duplicates Z: 109 99.113 2.532 1.140 0.511 0.944 0.593 CB 1.843 109 residues pruned to eliminate duplicates Z: 42 38.231 2.372 1.084 0.350 0.805 0.512 CB 1.766 42 residues pruned to eliminate duplicates Z: 40 35.678 2.375 0.926 0.495 0.846 0.487 CB 1.483 40 residues pruned to eliminate duplicates Z: 60 49.834 2.491 1.056 0.455 0.814 0.610 CB 1.629 60 residues pruned to eliminate duplicates Z: 16 33.823 2.297 1.011 0.871 1.000 0.600 CB 1.379 16 residues pruned to eliminate duplicates Z: 12 23.318 2.116 0.912 0.813 0.909 0.545 CB 1.456 12 residues pruned to eliminate duplicates Z: 11 24.041 2.177 0.872 0.815 0.900 0.600 CB 1.576 11 residues pruned to eliminate duplicates Z: 59 49.344 2.490 0.961 0.456 0.879 0.534 CB 1.579 59 residues pruned to eliminate duplicates Z: 16 25.562 2.275 1.152 0.465 0.867 0.667 CB 1.611 16 residues pruned to eliminate duplicates Z: 52 49.802 2.486 1.005 0.522 0.882 0.608 CB 1.553 52 residues pruned to eliminate duplicates Z: 82 87.841 2.527 1.081 0.564 0.951 0.667 CB 1.835 82 residues pruned to eliminate duplicates Z: 69 82.766 2.598 1.003 0.597 0.971 0.632 CB 1.811 69 residues pruned to eliminate duplicates Z: 39 52.561 2.473 1.272 0.404 0.921 0.579 CB 1.822 39 residues pruned to eliminate duplicates Z: 9 14.364 2.017 0.694 0.455 1.000 0.625 CB 1.557 9 residues pruned to eliminate duplicates Z: 9 20.599 2.501 0.455 0.876 0.875 0.875 CB 1.662 9 residues pruned to eliminate duplicates Z: 71 79.565 2.542 0.973 0.586 0.943 0.643 CB 1.851 71 residues pruned to eliminate duplicates Z: 39 35.850 2.293 1.014 0.388 0.868 0.632 CB 1.634 39 residues pruned to eliminate duplicates Z: 11 29.286 2.158 0.962 0.819 1.000 0.700 CB 1.658 11 residues pruned to eliminate duplicates Z: 49 31.481 2.273 0.800 0.415 0.854 0.542 CB 1.421 49 residues pruned to eliminate duplicates Z: 30 29.432 2.446 1.082 0.333 0.828 0.483 CB 1.557 30 residues pruned to eliminate duplicates Z: 29 35.185 2.403 0.644 0.552 0.964 0.714 CB 1.660 29 residues pruned to eliminate duplicates Z: 109 96.607 2.556 1.124 0.499 0.944 0.657 CB 1.814 109 residues pruned to eliminate duplicates Z: 28 23.627 2.155 1.061 0.456 0.852 0.444 CB 1.257 28 residues pruned to eliminate duplicates Z: 24 56.650 2.534 0.841 0.941 1.000 1.000 CA 1.757 24 residues pruned to eliminate duplicates Z: 9 12.571 2.419 1.074 0.412 0.875 0.625 CB 1.111 9 residues pruned to eliminate duplicates Z: 27 34.195 2.358 0.878 0.595 0.923 0.577 CB 1.498 27 residues pruned to eliminate duplicates Z: 63 47.335 2.463 1.024 0.427 0.871 0.435 CB 1.494 63 residues pruned to eliminate duplicates Z: 119 96.110 2.526 1.060 0.548 0.932 0.644 CB 1.740 119 residues pruned to eliminate duplicates Z: 34 37.815 2.520 1.020 0.399 0.818 0.576 CB 1.758 34 residues pruned to eliminate duplicates Z: 21 26.149 2.397 0.963 0.422 0.800 0.650 CB 1.685 21 residues pruned to eliminate duplicates Z: 32 33.837 2.252 0.975 0.345 0.903 0.581 CA 1.790 32 residues pruned to eliminate duplicates Z: 70 78.682 2.545 1.013 0.566 0.942 0.551 CB 1.842 70 residues pruned to eliminate duplicates Z: 116 99.881 2.545 1.135 0.544 0.948 0.652 CB 1.732 116 residues pruned to eliminate duplicates Z: 59 43.466 2.394 1.038 0.350 0.862 0.466 CB 1.596 59 residues pruned to eliminate duplicates Z: 108 84.221 2.475 1.005 0.508 0.916 0.692 CB 1.777 108 residues pruned to eliminate duplicates Z: 11 19.516 2.241 0.823 0.797 0.800 0.600 CB 1.456 11 residues pruned to eliminate duplicates Z: 9 11.268 2.011 0.528 0.425 0.875 0.625 CA 1.601 9 residues pruned to eliminate duplicates Z: 15 45.970 2.453 1.227 0.908 1.000 0.929 CB 1.596 15 residues pruned to eliminate duplicates Z: 24 62.145 2.575 0.926 0.922 1.000 0.826 CA 1.837 24 residues pruned to eliminate duplicates Z: 20 14.485 2.039 0.635 0.522 0.842 0.316 CB 1.158 20 residues pruned to eliminate duplicates Z: 11 25.280 2.162 1.261 0.719 0.900 0.300 CB 1.490 11 residues pruned to eliminate duplicates Z: 23 65.040 2.631 1.024 0.931 1.000 0.591 CB 1.820 23 residues pruned to eliminate duplicates Z: 70 79.605 2.578 0.955 0.580 0.957 0.638 CB 1.841 70 residues pruned to eliminate duplicates Z: 109 87.201 2.477 1.082 0.518 0.926 0.593 CB 1.726 109 residues pruned to eliminate duplicates Z: 40 41.560 2.438 1.134 0.437 0.923 0.487 CB 1.479 40 residues pruned to eliminate duplicates Z: 109 89.513 2.485 1.028 0.512 0.944 0.676 CB 1.788 109 residues pruned to eliminate duplicates Z: 71 85.040 2.550 1.101 0.580 0.957 0.700 CB 1.835 71 residues pruned to eliminate duplicates Z: 40 45.728 2.455 1.001 0.420 0.897 0.615 CB 1.806 39 residues pruned to eliminate duplicates Z: 28 32.195 2.286 0.744 0.552 0.926 0.741 CB 1.596 28 residues pruned to eliminate duplicates Z: 155 111.088 2.553 1.051 0.521 0.929 0.617 CB 1.803 155 residues pruned to eliminate duplicates Z: 110 80.132 2.453 0.976 0.502 0.917 0.670 CB 1.722 110 residues pruned to eliminate duplicates Z: 12 21.950 1.966 0.900 0.758 0.909 0.727 CA 1.549 12 residues pruned to eliminate duplicates Z: 47 29.398 2.170 0.750 0.437 0.870 0.457 CB 1.401 47 residues pruned to eliminate duplicates Z: 8 16.964 1.984 0.559 0.837 1.000 0.571 CB 1.551 8 residues pruned to eliminate duplicates Z: 29 33.310 2.234 1.206 0.361 0.964 0.536 CB 1.538 29 residues pruned to eliminate duplicates Z: 7 9.534 1.837 0.988 0.475 0.833 0.500 CA 1.311 7 residues pruned to eliminate duplicates Z: 23 27.305 2.378 0.868 0.394 0.909 0.727 CB 1.612 23 residues pruned to eliminate duplicates Z: 79 68.653 2.516 0.943 0.474 0.949 0.577 CB 1.720 79 residues pruned to eliminate duplicates Z: 11 22.192 2.142 0.811 0.867 1.000 0.700 CB 1.324 11 residues pruned to eliminate duplicates Z: 69 87.737 2.567 1.076 0.587 0.985 0.632 CB 1.864 69 residues pruned to eliminate duplicates Z: 66 49.645 2.454 1.018 0.434 0.892 0.600 CB 1.492 66 residues pruned to eliminate duplicates Z: 43 80.331 2.654 1.208 0.645 0.952 0.810 CB 1.940 43 residues pruned to eliminate duplicates Z: 60 51.969 2.455 1.102 0.459 0.898 0.559 CB 1.522 60 residues pruned to eliminate duplicates Z: 25 26.961 2.193 0.879 0.530 0.875 0.542 CB 1.482 25 residues pruned to eliminate duplicates Z: 59 56.689 2.462 1.162 0.400 0.897 0.586 CB 1.732 59 residues pruned to eliminate duplicates Z: 14 52.614 2.646 1.386 0.920 1.000 0.615 CB 1.627 14 residues pruned to eliminate duplicates Z: 45 69.255 2.526 1.195 0.631 0.909 0.727 CB 1.832 45 residues pruned to eliminate duplicates Z: 26 42.097 2.614 0.848 0.611 0.880 0.600 CB 1.782 26 residues pruned to eliminate duplicates Z: 42 37.066 2.314 0.914 0.381 0.927 0.683 CB 1.601 42 residues pruned to eliminate duplicates Z: 26 34.312 2.379 1.104 0.350 0.920 0.640 CA 1.753 26 residues pruned to eliminate duplicates Z: 9 15.613 2.047 0.440 0.720 1.000 0.250 CA 1.534 9 residues pruned to eliminate duplicates Z: 20 35.831 2.359 1.290 0.401 0.895 0.737 CA 1.888 21 residues pruned to eliminate duplicates Z: 13 9.574 2.130 0.291 0.409 0.750 0.667 CB 1.475 13 residues pruned to eliminate duplicates Z: 70 82.438 2.511 1.072 0.585 0.986 0.681 CB 1.783 70 residues pruned to eliminate duplicates Z: 10 4.403 1.843 0.597 0.314 0.667 0.333 CB 0.919 10 residues pruned to eliminate duplicates Z: 39 38.862 2.395 1.009 0.491 0.921 0.553 CB 1.435 39 residues pruned to eliminate duplicates Z: 29 35.740 2.384 0.752 0.536 0.929 0.607 CB 1.681 29 residues pruned to eliminate duplicates Z: 48 67.376 2.623 1.157 0.566 0.894 0.574 CB 1.823 48 residues pruned to eliminate duplicates Z: 10 26.583 2.199 0.690 0.907 1.000 0.778 CB 1.694 10 residues pruned to eliminate duplicates Z: 10 24.558 2.158 0.993 0.802 0.889 0.778 CB 1.644 10 residues pruned to eliminate duplicates Z: 6 8.538 1.749 0.743 0.578 1.000 0.800 CB 1.162 Z: 10 13.290 1.774 0.450 0.777 1.000 0.556 CB 1.349 10 residues pruned to eliminate duplicates Z: 22 28.268 2.136 1.002 0.565 0.952 0.619 CB 1.422 22 residues pruned to eliminate duplicates Z: 116 65.244 2.475 0.980 0.450 0.835 0.548 CB 1.566 116 residues pruned to eliminate duplicates Z: 9 11.835 1.895 0.580 0.679 0.875 0.500 CB 1.355 9 residues pruned to eliminate duplicates Z: 62 85.879 2.564 1.076 0.633 0.967 0.672 CB 1.886 62 residues pruned to eliminate duplicates Z: 14 14.411 1.963 0.737 0.399 1.000 0.615 CB 1.303 14 residues pruned to eliminate duplicates Z: 7 4.118 1.808 0.234 0.331 0.833 0.167 CB 1.089 7 residues pruned to eliminate duplicates Z: 54 45.322 2.414 1.043 0.437 0.906 0.547 CB 1.488 54 residues pruned to eliminate duplicates Z: 23 39.313 2.313 1.054 0.475 0.955 0.500 CB 1.895 23 residues pruned to eliminate duplicates Z: 11 3.914 1.498 0.150 0.296 0.800 0.400 C 1.129 Z: 32 31.807 2.235 0.955 0.441 0.935 0.613 CB 1.484 32 residues pruned to eliminate duplicates Z: 64 65.942 2.443 0.934 0.587 0.952 0.635 CB 1.699 64 residues pruned to eliminate duplicates Z: 6 2.786 1.601 0.135 0.290 0.800 0.200 CB 1.084 6 residues pruned to eliminate duplicates Z: 76 86.371 2.524 1.108 0.567 0.947 0.693 CB 1.856 76 residues pruned to eliminate duplicates Z: 16 24.318 2.447 0.797 0.375 0.933 0.667 CB 1.747 16 residues pruned to eliminate duplicates Z: 23 73.102 2.665 1.025 0.931 1.000 0.682 CA 2.018 23 residues pruned to eliminate duplicates Z: 27 30.176 2.432 1.032 0.368 0.885 0.423 CB 1.560 27 residues pruned to eliminate duplicates Z: 108 87.071 2.502 1.047 0.509 0.925 0.626 CB 1.760 108 residues pruned to eliminate duplicates Z: 48 45.940 2.479 0.930 0.540 0.872 0.511 CB 1.544 48 residues pruned to eliminate duplicates Z: 23 48.524 2.521 0.980 0.848 0.864 0.636 CA 1.780 23 residues pruned to eliminate duplicates Z: 61 71.470 2.493 0.897 0.626 0.967 0.667 CB 1.792 61 residues pruned to eliminate duplicates Z: 76 81.038 2.436 1.081 0.572 0.960 0.693 CB 1.794 76 residues pruned to eliminate duplicates Z: 7 6.706 1.898 0.648 0.593 0.833 0.667 N 0.961 Z: 10 12.622 1.817 0.380 0.762 1.000 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 9 18.537 2.085 1.246 0.630 0.875 0.750 C 1.416 9 residues pruned to eliminate duplicates Z: 10 5.412 2.097 0.905 0.125 0.556 0.333 CB 1.301 10 residues pruned to eliminate duplicates Z: 15 42.789 2.437 1.252 0.901 1.000 0.857 CB 1.488 15 residues pruned to eliminate duplicates Z: 91 93.532 2.561 1.153 0.515 0.944 0.656 CB 1.866 91 residues pruned to eliminate duplicates Z: 17 11.155 2.150 0.543 0.327 0.938 0.312 CB 1.084 17 residues pruned to eliminate duplicates Z: 64 48.463 2.453 1.000 0.418 0.873 0.381 CB 1.554 65 residues pruned to eliminate duplicates Z: 13 27.905 2.244 0.714 0.783 1.000 0.917 CA 1.631 13 residues pruned to eliminate duplicates Z: 60 77.826 2.588 0.985 0.617 0.949 0.644 CB 1.860 60 residues pruned to eliminate duplicates Z: 40 47.593 2.411 0.874 0.514 0.949 0.615 CB 1.754 40 residues pruned to eliminate duplicates Z: 50 42.091 2.448 0.838 0.519 0.837 0.551 CB 1.568 50 residues pruned to eliminate duplicates Z: 15 8.196 2.027 0.688 0.293 0.643 0.286 CB 1.256 15 residues pruned to eliminate duplicates Z: 22 30.983 2.275 1.182 0.465 0.857 0.571 CB 1.647 22 residues pruned to eliminate duplicates Z: 156 96.445 2.495 1.010 0.481 0.929 0.652 CB 1.695 156 residues pruned to eliminate duplicates Z: 12 30.937 2.348 1.070 0.820 0.909 0.545 CA 1.599 12 residues pruned to eliminate duplicates Z: 9 4.623 1.685 0.028 0.401 0.750 0.500 CB 1.395 Z: 97 66.497 2.511 0.987 0.449 0.896 0.479 CB 1.600 97 residues pruned to eliminate duplicates Z: 28 46.419 2.495 1.229 0.406 0.926 0.704 CB 1.915 28 residues pruned to eliminate duplicates Z: 35 58.127 2.590 1.326 0.461 0.912 0.676 CB 1.889 35 residues pruned to eliminate duplicates Z: 81 83.986 2.478 1.044 0.551 0.975 0.613 CB 1.808 81 residues pruned to eliminate duplicates Z: 61 62.481 2.486 1.092 0.423 0.950 0.617 CB 1.769 61 residues pruned to eliminate duplicates Z: 13 21.312 2.073 1.017 0.524 0.917 0.750 CB 1.567 13 residues pruned to eliminate duplicates Z: 39 41.379 2.432 1.145 0.476 0.921 0.526 CB 1.431 39 residues pruned to eliminate duplicates Z: 29 18.772 2.154 0.743 0.340 0.821 0.429 CB 1.369 29 residues pruned to eliminate duplicates Z: 10 9.360 1.885 0.798 0.341 0.778 0.444 CB 1.407 10 residues pruned to eliminate duplicates Z: 39 21.536 2.163 0.805 0.331 0.789 0.500 CB 1.365 39 residues pruned to eliminate duplicates Z: 60 78.955 2.573 0.965 0.654 0.966 0.746 CB 1.824 60 residues pruned to eliminate duplicates Z: 92 87.459 2.468 1.053 0.523 0.956 0.736 CB 1.849 92 residues pruned to eliminate duplicates 8 1.446 1.490 -0.059 0.462 0.857 0.429 CB 0.473 ? Z: 11 24.210 2.083 0.889 0.887 1.000 0.900 CA 1.403 11 residues pruned to eliminate duplicates Z: 62 68.572 2.449 1.039 0.530 0.967 0.738 CB 1.766 62 residues pruned to eliminate duplicates Z: 57 50.949 2.419 1.061 0.392 0.911 0.571 CB 1.682 57 residues pruned to eliminate duplicates Z: 67 58.367 2.377 0.994 0.511 0.909 0.636 CB 1.650 67 residues pruned to eliminate duplicates Z: 14 7.215 2.078 0.437 0.421 0.769 0.462 CB 0.946 14 residues pruned to eliminate duplicates Z: 11 34.033 2.458 1.071 0.899 1.000 0.800 CB 1.512 11 residues pruned to eliminate duplicates Z: 13 15.644 2.264 0.852 0.351 0.833 0.417 CB 1.519 13 residues pruned to eliminate duplicates Z: 165 106.512 2.533 1.023 0.506 0.927 0.634 CB 1.742 165 residues pruned to eliminate duplicates Z: 57 38.702 2.265 0.857 0.443 0.857 0.661 CB 1.522 57 residues pruned to eliminate duplicates Z: 49 50.131 2.425 1.092 0.390 0.896 0.604 CB 1.788 49 residues pruned to eliminate duplicates Z: 36 46.894 2.500 1.167 0.393 0.914 0.686 CB 1.791 36 residues pruned to eliminate duplicates Z: 28 21.518 2.115 0.729 0.389 0.852 0.556 CB 1.496 28 residues pruned to eliminate duplicates Z: 70 83.377 2.525 1.043 0.584 0.971 0.667 CB 1.850 70 residues pruned to eliminate duplicates Z: 34 42.520 2.484 0.880 0.489 0.879 0.697 CB 1.823 34 residues pruned to eliminate duplicates Z: 36 58.340 2.557 1.193 0.633 0.971 0.686 CB 1.597 36 residues pruned to eliminate duplicates Z: 10 13.129 2.145 0.896 0.484 0.778 0.556 CA 1.406 10 residues pruned to eliminate duplicates Z: 15 37.993 2.568 0.976 0.898 0.929 0.714 CB 1.541 15 residues pruned to eliminate duplicates Z: 11 33.173 2.475 0.652 0.898 1.000 0.800 CA 1.835 11 residues pruned to eliminate duplicates Z: 47 68.182 2.560 1.102 0.577 0.957 0.652 CB 1.813 47 residues pruned to eliminate duplicates Z: 6 8.034 1.880 0.189 0.760 1.000 0.800 CA 1.275 6 residues pruned to eliminate duplicates Z: 81 69.616 2.455 1.013 0.508 0.925 0.650 CB 1.688 81 residues pruned to eliminate duplicates Z: 42 73.679 2.570 1.159 0.647 0.951 0.756 CB 1.901 42 residues pruned to eliminate duplicates Z: 51 38.351 2.206 0.984 0.472 0.900 0.420 CB 1.417 51 residues pruned to eliminate duplicates Z: 17 31.802 2.385 1.169 0.439 0.938 0.562 CB 1.745 17 residues pruned to eliminate duplicates Z: 7 5.288 1.269 0.480 0.618 1.000 0.667 O 1.028 7 residues pruned to eliminate duplicates Z: 16 16.131 2.313 0.901 0.345 0.800 0.333 CB 1.401 16 residues pruned to eliminate duplicates Z: 43 39.368 2.362 0.978 0.486 0.833 0.571 CB 1.583 43 residues pruned to eliminate duplicates Z: 28 50.585 2.567 1.298 0.403 0.963 0.667 CB 1.898 28 residues pruned to eliminate duplicates Z: 79 78.984 2.518 1.002 0.549 0.962 0.679 CB 1.760 79 residues pruned to eliminate duplicates Z: 39 48.394 2.482 0.874 0.510 0.947 0.605 CB 1.764 39 residues pruned to eliminate duplicates Z: 6 6.280 1.899 1.483 0.677 0.800 0.800 CB 0.633 Z: 6 3.324 1.713 0.331 0.488 1.000 0.800 CB 0.660 6 residues pruned to eliminate duplicates Z: 25 27.693 2.548 1.000 0.325 0.833 0.500 CB 1.613 25 residues pruned to eliminate duplicates Z: 131 85.674 2.507 0.906 0.490 0.900 0.669 CB 1.764 131 residues pruned to eliminate duplicates Z: 33 41.700 2.455 1.051 0.519 0.906 0.500 CB 1.585 33 residues pruned to eliminate duplicates Z: 27 37.189 2.532 0.955 0.561 0.885 0.577 CB 1.569 27 residues pruned to eliminate duplicates Z: 53 51.849 2.445 1.085 0.394 0.904 0.615 CB 1.744 53 residues pruned to eliminate duplicates Z: 68 83.696 2.544 0.994 0.606 0.955 0.761 CB 1.907 68 residues pruned to eliminate duplicates Z: 41 51.215 2.539 0.940 0.519 0.925 0.575 CB 1.745 41 residues pruned to eliminate duplicates Z: 111 84.463 2.429 1.143 0.519 0.909 0.573 CB 1.671 111 residues pruned to eliminate duplicates Z: 14 23.784 2.426 1.202 0.466 0.923 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 30 22.853 2.181 1.076 0.332 0.828 0.517 CB 1.361 30 residues pruned to eliminate duplicates 6 0.501 1.304 0.650 0.416 0.800 0.800 N 0.142 ? Z: 16 13.897 2.168 0.334 0.415 0.800 0.533 CA 1.696 16 residues pruned to eliminate duplicates Z: 89 87.114 2.523 1.048 0.568 0.932 0.580 CB 1.805 89 residues pruned to eliminate duplicates Z: 47 59.211 2.428 0.911 0.555 0.978 0.739 CB 1.823 47 residues pruned to eliminate duplicates Z: 11 12.276 2.078 0.723 0.389 0.900 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 8 28.527 2.376 1.356 0.644 1.000 0.714 CB 1.684 8 residues pruned to eliminate duplicates Z: 6 7.323 1.713 0.255 0.814 1.000 0.800 CB 1.159 6 residues pruned to eliminate duplicates Z: 77 61.473 2.397 0.970 0.445 0.921 0.579 CB 1.716 77 residues pruned to eliminate duplicates Z: 100 66.785 2.519 1.006 0.419 0.879 0.576 CB 1.645 100 residues pruned to eliminate duplicates Z: 9 8.733 1.796 0.315 0.777 0.875 0.625 CB 1.170 9 residues pruned to eliminate duplicates Z: 38 29.868 2.175 0.941 0.470 0.865 0.541 CB 1.387 38 residues pruned to eliminate duplicates Z: 86 72.873 2.466 0.972 0.520 0.918 0.565 CB 1.737 86 residues pruned to eliminate duplicates Z: 18 40.109 2.411 0.884 0.879 0.941 0.706 CB 1.651 18 residues pruned to eliminate duplicates Z: 73 78.628 2.471 1.085 0.577 0.917 0.653 CB 1.821 73 residues pruned to eliminate duplicates Z: 96 90.341 2.550 1.015 0.560 0.947 0.684 CB 1.797 96 residues pruned to eliminate duplicates Z: 82 79.642 2.454 1.087 0.565 0.951 0.679 CB 1.706 82 residues pruned to eliminate duplicates Z: 10 23.204 2.218 0.954 0.773 0.889 0.556 CB 1.578 10 residues pruned to eliminate duplicates Z: 41 44.261 2.365 0.764 0.513 0.950 0.625 CB 1.743 41 residues pruned to eliminate duplicates 6 1.997 1.504 -0.110 0.411 1.000 0.600 CA 0.732 ? Z: 8 2.716 1.500 0.194 0.556 0.857 0.571 CB 0.633 Z: 13 21.581 2.001 1.029 0.554 0.917 0.667 CA 1.587 13 residues pruned to eliminate duplicates Z: 35 48.465 2.440 1.113 0.548 0.912 0.676 CB 1.687 35 residues pruned to eliminate duplicates Z: 109 94.995 2.529 1.120 0.516 0.926 0.657 CB 1.812 109 residues pruned to eliminate duplicates Z: 64 91.964 2.564 1.073 0.640 0.984 0.698 CB 1.944 64 residues pruned to eliminate duplicates Z: 30 45.614 2.487 1.075 0.596 0.897 0.655 CB 1.670 30 residues pruned to eliminate duplicates Z: 14 27.126 2.233 1.007 0.730 0.923 0.692 CB 1.478 14 residues pruned to eliminate duplicates Z: 6 5.598 1.789 0.202 0.277 1.000 0.600 CB 1.499 Z: 9 17.392 1.945 0.780 0.808 1.000 0.500 CA 1.358 9 residues pruned to eliminate duplicates Z: 38 28.305 2.312 0.962 0.343 0.838 0.459 CB 1.452 38 residues pruned to eliminate duplicates Z: 19 11.774 2.042 0.670 0.269 0.778 0.556 CA 1.361 19 residues pruned to eliminate duplicates Z: 64 49.556 2.453 1.035 0.428 0.873 0.540 CB 1.544 64 residues pruned to eliminate duplicates Z: 35 25.580 2.332 0.918 0.339 0.824 0.559 CB 1.420 35 residues pruned to eliminate duplicates Z: 71 80.290 2.551 1.108 0.568 0.914 0.686 CB 1.828 71 residues pruned to eliminate duplicates Z: 156 108.838 2.536 1.057 0.530 0.903 0.690 CB 1.802 156 residues pruned to eliminate duplicates Z: 22 25.069 2.347 1.000 0.423 0.810 0.571 CB 1.559 22 residues pruned to eliminate duplicates Z: 21 23.828 2.176 0.976 0.419 0.900 0.500 CB 1.498 21 residues pruned to eliminate duplicates Z: 24 44.531 2.604 1.087 0.537 0.913 0.652 CB 1.804 24 residues pruned to eliminate duplicates Z: 27 26.642 2.289 0.727 0.504 0.885 0.731 CB 1.488 27 residues pruned to eliminate duplicates Z: 21 24.132 2.271 1.057 0.468 0.850 0.500 CB 1.404 20 residues pruned to eliminate duplicates Z: 26 16.201 2.232 0.532 0.429 0.880 0.720 CB 1.160 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 39 46.180 2.420 1.100 0.398 0.921 0.605 CB 1.782 39 residues pruned to eliminate duplicates Z: 49 49.245 2.422 1.207 0.386 0.875 0.646 CB 1.716 49 residues pruned to eliminate duplicates Z: 109 91.241 2.514 1.000 0.511 0.954 0.639 CB 1.810 109 residues pruned to eliminate duplicates Z: 108 90.666 2.516 1.034 0.503 0.953 0.607 CB 1.791 108 residues pruned to eliminate duplicates Z: 108 94.267 2.511 1.129 0.513 0.925 0.701 CB 1.820 108 residues pruned to eliminate duplicates Z: 107 95.132 2.537 1.093 0.508 0.962 0.689 CB 1.793 107 residues pruned to eliminate duplicates Z: 49 52.962 2.433 1.186 0.404 0.875 0.562 CB 1.817 49 residues pruned to eliminate duplicates Z: 6 4.829 1.888 1.067 0.248 0.800 0.400 CB 0.925 6 residues pruned to eliminate duplicates Z: 77 74.266 2.438 1.155 0.452 0.961 0.645 CB 1.773 78 residues pruned to eliminate duplicates Z: 7 7.701 1.760 0.329 0.499 1.000 0.667 CA 1.345 7 residues pruned to eliminate duplicates Z: 48 51.313 2.459 1.123 0.398 0.936 0.553 CB 1.704 48 residues pruned to eliminate duplicates Z: 107 90.761 2.522 1.020 0.508 0.962 0.623 CB 1.784 107 residues pruned to eliminate duplicates Z: 28 35.197 2.461 0.860 0.371 0.926 0.444 CB 1.835 28 residues pruned to eliminate duplicates Z: 50 47.833 2.381 1.009 0.399 0.918 0.633 CB 1.731 50 residues pruned to eliminate duplicates Z: 49 51.514 2.435 1.135 0.389 0.917 0.583 CB 1.754 49 residues pruned to eliminate duplicates Z: 110 85.479 2.454 0.990 0.504 0.945 0.670 CB 1.767 110 residues pruned to eliminate duplicates Z: 110 90.184 2.489 1.077 0.498 0.936 0.651 CB 1.789 110 residues pruned to eliminate duplicates Z: 39 42.537 2.432 0.987 0.401 0.895 0.579 CB 1.770 39 residues pruned to eliminate duplicates Z: 93 76.253 2.472 0.932 0.528 0.946 0.630 CB 1.713 93 residues pruned to eliminate duplicates Z: 108 87.841 2.488 1.127 0.512 0.925 0.598 CB 1.714 108 residues pruned to eliminate duplicates Z: 50 47.956 2.383 1.164 0.378 0.898 0.592 CB 1.686 50 residues pruned to eliminate duplicates Z: 32 37.723 2.366 1.111 0.401 0.871 0.516 CB 1.730 32 residues pruned to eliminate duplicates Z: 132 105.994 2.560 1.101 0.529 0.947 0.649 CB 1.767 132 residues pruned to eliminate duplicates Z: 50 50.778 2.384 1.143 0.386 0.918 0.653 CB 1.744 50 residues pruned to eliminate duplicates Z: 109 94.322 2.480 1.127 0.497 0.954 0.648 CB 1.809 109 residues pruned to eliminate duplicates Z: 101 92.369 2.507 1.075 0.542 0.940 0.680 CB 1.812 101 residues pruned to eliminate duplicates Z: 108 90.364 2.505 1.065 0.504 0.935 0.654 CB 1.800 108 residues pruned to eliminate duplicates Z: 109 90.971 2.498 1.072 0.512 0.954 0.713 CB 1.753 109 residues pruned to eliminate duplicates Z: 82 78.586 2.478 1.004 0.551 0.951 0.630 CB 1.760 82 residues pruned to eliminate duplicates Z: 103 82.935 2.513 1.012 0.487 0.931 0.637 CB 1.767 103 residues pruned to eliminate duplicates Z: 82 80.897 2.504 0.947 0.558 0.975 0.753 CB 1.787 82 residues pruned to eliminate duplicates Z: 51 49.456 2.428 1.155 0.399 0.860 0.620 CB 1.729 51 residues pruned to eliminate duplicates Z: 83 78.482 2.479 1.112 0.547 0.927 0.659 CB 1.706 83 residues pruned to eliminate duplicates Z: 109 92.437 2.510 1.085 0.506 0.954 0.630 CB 1.772 109 residues pruned to eliminate duplicates Z: 14 16.620 2.124 0.998 0.439 0.846 0.538 CB 1.367 14 residues pruned to eliminate duplicates Z: 109 89.729 2.518 1.018 0.517 0.954 0.639 CB 1.751 109 residues pruned to eliminate duplicates Z: 49 51.921 2.416 1.131 0.393 0.917 0.583 CB 1.778 49 residues pruned to eliminate duplicates Z: 22 29.115 2.320 1.179 0.431 0.857 0.619 CB 1.574 22 residues pruned to eliminate duplicates Z: 107 91.413 2.492 1.088 0.514 0.934 0.660 CB 1.802 107 residues pruned to eliminate duplicates Z: 108 94.331 2.508 1.108 0.506 0.953 0.645 CB 1.798 108 residues pruned to eliminate duplicates Z: 22 30.854 2.303 1.022 0.399 0.952 0.571 CB 1.688 22 residues pruned to eliminate duplicates Z: 94 80.846 2.463 1.055 0.519 0.925 0.667 CB 1.757 94 residues pruned to eliminate duplicates Z: 106 87.148 2.511 1.107 0.495 0.924 0.600 CB 1.750 106 residues pruned to eliminate duplicates Z: 50 48.263 2.385 1.161 0.373 0.898 0.592 CB 1.705 50 residues pruned to eliminate duplicates Z: 82 76.878 2.499 1.005 0.564 0.914 0.654 CB 1.753 82 residues pruned to eliminate duplicates Z: 108 88.893 2.520 1.030 0.507 0.935 0.626 CB 1.785 108 residues pruned to eliminate duplicates Z: 108 95.563 2.517 1.149 0.516 0.944 0.664 CB 1.782 108 residues pruned to eliminate duplicates Z: 82 84.370 2.461 1.113 0.567 0.951 0.667 CB 1.778 82 residues pruned to eliminate duplicates Z: 108 94.366 2.508 1.051 0.533 0.953 0.682 CB 1.800 108 residues pruned to eliminate duplicates Z: 108 96.642 2.515 1.120 0.529 0.953 0.682 CB 1.786 108 residues pruned to eliminate duplicates Z: 71 79.674 2.547 1.036 0.588 0.943 0.729 CB 1.791 71 residues pruned to eliminate duplicates Z: 110 91.980 2.493 1.074 0.523 0.945 0.688 CB 1.762 110 residues pruned to eliminate duplicates Z: 106 86.101 2.492 1.071 0.487 0.943 0.638 CB 1.751 106 residues pruned to eliminate duplicates Z: 106 98.614 2.538 1.117 0.524 0.971 0.581 CB 1.801 106 residues pruned to eliminate duplicates Z: 82 73.994 2.438 1.003 0.561 0.926 0.716 CB 1.715 82 residues pruned to eliminate duplicates Z: 70 81.813 2.537 1.076 0.596 0.942 0.783 CB 1.811 70 residues pruned to eliminate duplicates Z: 70 81.281 2.534 1.095 0.571 0.957 0.681 CB 1.799 70 residues pruned to eliminate duplicates Z: 71 76.022 2.531 1.022 0.563 0.929 0.714 CB 1.799 71 residues pruned to eliminate duplicates Z: 108 87.012 2.495 1.044 0.507 0.935 0.673 CB 1.752 108 residues pruned to eliminate duplicates Z: 40 48.715 2.358 1.025 0.487 0.949 0.718 CB 1.744 40 residues pruned to eliminate duplicates Z: 108 93.366 2.514 1.123 0.516 0.944 0.654 CB 1.763 108 residues pruned to eliminate duplicates Z: 70 79.819 2.547 1.074 0.577 0.942 0.710 CB 1.793 70 residues pruned to eliminate duplicates Z: 70 77.105 2.524 1.094 0.569 0.913 0.667 CB 1.801 70 residues pruned to eliminate duplicates Z: 70 82.983 2.539 1.123 0.585 0.957 0.638 CB 1.786 70 residues pruned to eliminate duplicates Z: 109 87.946 2.501 1.112 0.507 0.917 0.639 CB 1.736 109 residues pruned to eliminate duplicates Z: 109 94.472 2.515 1.138 0.522 0.935 0.694 CB 1.770 109 residues pruned to eliminate duplicates Z: 91 90.008 2.524 1.132 0.546 0.956 0.678 CB 1.764 91 residues pruned to eliminate duplicates Z: 109 89.254 2.491 1.066 0.506 0.954 0.648 CB 1.739 109 residues pruned to eliminate duplicates Z: 108 85.943 2.498 0.981 0.508 0.935 0.645 CB 1.783 108 residues pruned to eliminate duplicates Z: 70 83.711 2.551 1.013 0.599 0.971 0.710 CB 1.839 70 residues pruned to eliminate duplicates Z: 102 92.187 2.524 1.067 0.543 0.950 0.693 CB 1.774 102 residues pruned to eliminate duplicates Z: 98 91.505 2.590 0.960 0.585 0.938 0.660 CB 1.797 98 residues pruned to eliminate duplicates Z: 100 84.723 2.468 1.007 0.521 0.960 0.667 CB 1.755 100 residues pruned to eliminate duplicates Z: 74 68.008 2.473 0.941 0.535 0.890 0.658 CB 1.800 74 residues pruned to eliminate duplicates Z: 109 93.534 2.519 1.149 0.503 0.954 0.648 CB 1.738 109 residues pruned to eliminate duplicates Z: 109 90.668 2.508 1.046 0.505 0.963 0.694 CB 1.758 109 residues pruned to eliminate duplicates Z: 84 84.216 2.481 1.027 0.549 0.952 0.723 CB 1.842 84 residues pruned to eliminate duplicates Z: 70 81.212 2.543 1.028 0.585 0.957 0.681 CB 1.827 70 residues pruned to eliminate duplicates Z: 133 104.184 2.546 1.049 0.523 0.947 0.636 CB 1.794 133 residues pruned to eliminate duplicates Z: 109 91.230 2.511 1.141 0.503 0.935 0.676 CB 1.740 109 residues pruned to eliminate duplicates Z: 69 80.613 2.567 0.981 0.593 0.971 0.662 CB 1.812 69 residues pruned to eliminate duplicates Z: 107 93.297 2.517 1.117 0.517 0.934 0.660 CB 1.790 107 residues pruned to eliminate duplicates Z: 70 78.428 2.539 1.000 0.577 0.957 0.754 CB 1.806 70 residues pruned to eliminate duplicates Z: 83 80.003 2.494 1.123 0.543 0.939 0.622 CB 1.704 83 residues pruned to eliminate duplicates Z: 108 89.168 2.485 1.045 0.504 0.963 0.664 CB 1.754 108 residues pruned to eliminate duplicates Z: 72 75.036 2.515 1.008 0.549 0.930 0.662 CB 1.808 72 residues pruned to eliminate duplicates Z: 108 95.442 2.519 1.121 0.516 0.953 0.692 CB 1.782 108 residues pruned to eliminate duplicates Z: 70 77.033 2.535 1.099 0.571 0.899 0.652 CB 1.811 70 residues pruned to eliminate duplicates Z: 70 79.839 2.548 1.081 0.566 0.971 0.681 CB 1.752 70 residues pruned to eliminate duplicates Z: 83 81.176 2.475 1.081 0.558 0.939 0.634 CB 1.752 83 residues pruned to eliminate duplicates Z: 58 78.116 2.590 1.065 0.618 0.965 0.684 CB 1.794 58 residues pruned to eliminate duplicates Z: 109 94.732 2.497 1.140 0.525 0.944 0.657 CB 1.762 109 residues pruned to eliminate duplicates Z: 82 83.388 2.496 1.090 0.554 0.963 0.667 CB 1.750 82 residues pruned to eliminate duplicates Z: 108 93.123 2.514 1.130 0.527 0.925 0.729 CB 1.769 108 residues pruned to eliminate duplicates Z: 81 74.548 2.476 0.976 0.554 0.938 0.637 CB 1.725 81 residues pruned to eliminate duplicates Z: 109 90.197 2.501 1.141 0.517 0.917 0.639 CB 1.739 109 residues pruned to eliminate duplicates Z: 107 96.575 2.514 1.061 0.528 0.972 0.689 CB 1.813 107 residues pruned to eliminate duplicates Z: 108 87.444 2.502 1.025 0.499 0.935 0.664 CB 1.787 108 residues pruned to eliminate duplicates Z: 70 83.063 2.555 1.084 0.569 0.971 0.681 CB 1.809 70 residues pruned to eliminate duplicates Z: 105 91.553 2.527 1.092 0.509 0.933 0.721 CB 1.805 105 residues pruned to eliminate duplicates Z: 81 85.424 2.509 1.088 0.563 0.963 0.688 CB 1.782 81 residues pruned to eliminate duplicates Z: 69 83.127 2.564 1.059 0.570 0.971 0.691 CB 1.838 69 residues pruned to eliminate duplicates Z: 106 88.297 2.512 1.068 0.536 0.905 0.619 CB 1.770 106 residues pruned to eliminate duplicates Z: 107 90.083 2.537 1.002 0.551 0.915 0.604 CB 1.792 107 residues pruned to eliminate duplicates Z: 159 101.332 2.551 1.041 0.503 0.899 0.627 CB 1.717 159 residues pruned to eliminate duplicates Z: 118 99.738 2.583 1.068 0.561 0.906 0.709 CB 1.795 118 residues pruned to eliminate duplicates Z: 107 92.206 2.554 1.033 0.542 0.925 0.651 CB 1.790 107 residues pruned to eliminate duplicates Z: 81 59.286 2.530 0.934 0.426 0.875 0.637 CB 1.672 81 residues pruned to eliminate duplicates Z: 41 61.721 2.687 1.081 0.553 0.925 0.675 CB 1.791 41 residues pruned to eliminate duplicates Z: 134 103.519 2.547 1.085 0.510 0.940 0.639 CB 1.781 134 residues pruned to eliminate duplicates Z: 28 37.790 2.637 0.938 0.520 0.852 0.630 CB 1.639 28 residues pruned to eliminate duplicates Z: 181 111.339 2.566 0.988 0.504 0.933 0.600 CB 1.736 182 residues pruned to eliminate duplicates Z: 16 40.588 2.433 1.182 0.884 0.933 0.733 CB 1.528 16 residues pruned to eliminate duplicates Z: 101 73.147 2.558 1.082 0.478 0.860 0.550 CB 1.634 101 residues pruned to eliminate duplicates Z: 45 54.575 2.627 0.961 0.516 0.886 0.659 CB 1.773 45 residues pruned to eliminate duplicates Z: 95 93.721 2.596 1.098 0.557 0.936 0.691 CB 1.793 95 residues pruned to eliminate duplicates Z: 26 54.726 2.772 1.164 0.592 0.920 0.760 CB 1.815 26 residues pruned to eliminate duplicates Z: 113 79.962 2.551 1.116 0.464 0.893 0.580 CB 1.627 113 residues pruned to eliminate duplicates Z: 28 47.225 2.705 1.057 0.538 0.889 0.630 CB 1.770 28 residues pruned to eliminate duplicates Z: 139 103.054 2.569 1.058 0.514 0.928 0.659 CB 1.765 139 residues pruned to eliminate duplicates Z: 96 93.149 2.591 1.071 0.576 0.926 0.705 CB 1.787 96 residues pruned to eliminate duplicates Z: 26 55.732 2.779 1.219 0.607 0.920 0.600 CB 1.774 26 residues pruned to eliminate duplicates Z: 126 90.420 2.521 0.992 0.536 0.904 0.656 CB 1.720 126 residues pruned to eliminate duplicates Z: 32 45.093 2.652 0.784 0.495 0.935 0.645 CB 1.839 32 residues pruned to eliminate duplicates Z: 78 65.866 2.539 1.106 0.446 0.870 0.532 CB 1.706 78 residues pruned to eliminate duplicates Z: 120 103.492 2.568 1.083 0.552 0.941 0.672 CB 1.791 120 residues pruned to eliminate duplicates Z: 177 110.608 2.524 1.058 0.477 0.915 0.597 CB 1.795 177 residues pruned to eliminate duplicates Z: 80 61.965 2.501 1.005 0.432 0.886 0.544 CB 1.683 80 residues pruned to eliminate duplicates Z: 81 66.174 2.582 1.073 0.446 0.863 0.600 CB 1.695 81 residues pruned to eliminate duplicates Z: 34 34.405 2.501 0.852 0.434 0.818 0.515 CB 1.692 34 residues pruned to eliminate duplicates Z: 44 56.329 2.635 0.985 0.536 0.907 0.605 CB 1.748 44 residues pruned to eliminate duplicates Z: 76 68.116 2.617 1.083 0.491 0.840 0.627 CB 1.734 76 residues pruned to eliminate duplicates Z: 111 95.589 2.583 1.021 0.569 0.909 0.682 CB 1.797 111 residues pruned to eliminate duplicates Z: 121 96.917 2.583 0.973 0.538 0.925 0.683 CB 1.808 121 residues pruned to eliminate duplicates Z: 61 68.758 2.669 1.091 0.510 0.883 0.567 CB 1.783 61 residues pruned to eliminate duplicates Z: 62 48.767 2.560 0.910 0.411 0.852 0.607 CB 1.644 62 residues pruned to eliminate duplicates Z: 84 56.551 2.459 0.931 0.444 0.867 0.518 CB 1.597 84 residues pruned to eliminate duplicates Z: 47 42.126 2.560 0.820 0.406 0.848 0.587 CB 1.736 47 residues pruned to eliminate duplicates Z: 86 65.334 2.482 1.026 0.445 0.906 0.600 CB 1.646 86 residues pruned to eliminate duplicates Z: 50 46.271 2.526 1.307 0.348 0.816 0.531 CB 1.639 50 residues pruned to eliminate duplicates Z: 48 45.529 2.573 1.067 0.370 0.851 0.532 CB 1.687 48 residues pruned to eliminate duplicates Z: 78 66.080 2.615 1.112 0.463 0.857 0.623 CB 1.652 78 residues pruned to eliminate duplicates Z: 34 39.837 2.602 0.762 0.458 0.848 0.606 CB 1.861 34 residues pruned to eliminate duplicates Z: 131 104.083 2.572 1.042 0.534 0.938 0.662 CB 1.792 131 residues pruned to eliminate duplicates Z: 49 40.053 2.520 0.812 0.350 0.875 0.562 CB 1.703 49 residues pruned to eliminate duplicates Z: 51 64.453 2.614 1.102 0.543 0.880 0.580 CB 1.807 51 residues pruned to eliminate duplicates Z: 48 52.734 2.554 0.961 0.440 0.894 0.702 CB 1.828 48 residues pruned to eliminate duplicates Z: 119 99.881 2.595 1.049 0.543 0.924 0.661 CB 1.794 119 residues pruned to eliminate duplicates Z: 47 68.531 2.716 1.034 0.555 0.913 0.674 CB 1.899 47 residues pruned to eliminate duplicates Z: 51 58.384 2.622 0.981 0.520 0.900 0.620 CB 1.732 51 residues pruned to eliminate duplicates Z: 77 63.089 2.587 1.095 0.451 0.868 0.579 CB 1.617 77 residues pruned to eliminate duplicates Z: 23 27.992 2.382 0.869 0.370 0.864 0.545 CB 1.786 23 residues pruned to eliminate duplicates Z: 113 77.514 2.548 1.073 0.462 0.884 0.571 CB 1.631 112 residues pruned to eliminate duplicates Z: 6 3.618 1.734 0.523 0.272 0.800 0.400 CB 0.992 6 residues pruned to eliminate duplicates Z: 30 26.506 2.446 0.874 0.337 0.862 0.483 CB 1.489 30 residues pruned to eliminate duplicates Z: 53 44.896 2.404 0.990 0.356 0.885 0.462 CB 1.719 53 residues pruned to eliminate duplicates Z: 56 43.181 2.423 1.113 0.400 0.855 0.491 CB 1.479 56 residues pruned to eliminate duplicates Z: 32 24.798 2.443 0.810 0.307 0.839 0.581 CB 1.488 32 residues pruned to eliminate duplicates Z: 49 34.039 2.268 0.999 0.364 0.792 0.417 CB 1.584 49 residues pruned to eliminate duplicates Z: 28 27.568 2.431 0.980 0.343 0.852 0.444 CB 1.535 28 residues pruned to eliminate duplicates Z: 16 22.934 2.362 0.994 0.348 0.933 0.600 CB 1.589 16 residues pruned to eliminate duplicates Z: 14 17.472 2.416 0.868 0.348 0.846 0.615 CB 1.495 14 residues pruned to eliminate duplicates Z: 30 25.397 2.431 0.831 0.334 0.793 0.483 CB 1.601 30 residues pruned to eliminate duplicates Z: 31 27.016 2.340 0.869 0.342 0.867 0.600 CB 1.546 31 residues pruned to eliminate duplicates Z: 53 41.258 2.388 0.957 0.406 0.885 0.481 CB 1.527 53 residues pruned to eliminate duplicates Z: 53 44.246 2.396 0.952 0.423 0.904 0.596 CB 1.573 53 residues pruned to eliminate duplicates Z: 65 50.016 2.438 0.935 0.424 0.938 0.438 CB 1.530 65 residues pruned to eliminate duplicates Z: 28 30.391 2.451 1.090 0.341 0.852 0.519 CB 1.594 28 residues pruned to eliminate duplicates Z: 30 31.500 2.411 1.099 0.337 0.897 0.483 CB 1.539 30 residues pruned to eliminate duplicates Z: 29 31.240 2.431 1.052 0.333 0.893 0.500 CB 1.590 29 residues pruned to eliminate duplicates Z: 31 27.139 2.380 1.014 0.330 0.767 0.433 CB 1.624 31 residues pruned to eliminate duplicates Z: 51 42.933 2.447 1.071 0.452 0.860 0.560 CB 1.464 51 residues pruned to eliminate duplicates Z: 29 33.734 2.418 1.266 0.343 0.821 0.429 CB 1.681 29 residues pruned to eliminate duplicates Z: 13 7.961 2.095 0.814 0.187 0.833 0.250 CB 1.056 13 residues pruned to eliminate duplicates Z: 48 40.060 2.475 0.913 0.357 0.872 0.468 CB 1.649 48 residues pruned to eliminate duplicates Z: 61 47.903 2.487 1.062 0.400 0.867 0.483 CB 1.546 61 residues pruned to eliminate duplicates Z: 64 54.205 2.480 1.218 0.429 0.873 0.524 CB 1.531 64 residues pruned to eliminate duplicates Z: 12 3.428 1.955 0.159 0.121 0.818 0.364 CB 0.897 12 residues pruned to eliminate duplicates Z: 10 5.395 2.171 0.579 0.155 0.667 0.111 CB 1.201 10 residues pruned to eliminate duplicates Z: 64 48.843 2.466 1.022 0.423 0.889 0.492 CB 1.504 64 residues pruned to eliminate duplicates Z: 64 47.008 2.456 1.098 0.418 0.841 0.492 CB 1.488 64 residues pruned to eliminate duplicates Z: 72 54.861 2.507 0.962 0.402 0.915 0.549 CB 1.603 72 residues pruned to eliminate duplicates Z: 40 39.618 2.435 1.173 0.438 0.872 0.436 CB 1.467 40 residues pruned to eliminate duplicates Z: 53 44.039 2.445 1.133 0.397 0.885 0.519 CB 1.476 53 residues pruned to eliminate duplicates Z: 39 36.866 2.419 0.938 0.456 0.895 0.579 CB 1.492 40 residues pruned to eliminate duplicates Z: 6 4.086 1.928 0.553 0.231 0.600 0.200 CB 1.391 6 residues pruned to eliminate duplicates Z: 27 34.967 2.403 1.156 0.498 0.885 0.423 CB 1.500 27 residues pruned to eliminate duplicates Z: 37 39.379 2.392 1.101 0.488 0.861 0.556 CB 1.534 37 residues pruned to eliminate duplicates Z: 24 41.070 2.403 1.222 0.526 0.957 0.565 CB 1.634 24 residues pruned to eliminate duplicates Z: 31 34.015 2.232 1.026 0.461 0.900 0.600 CB 1.589 31 residues pruned to eliminate duplicates Z: 51 42.067 2.469 1.032 0.402 0.860 0.520 CB 1.529 51 residues pruned to eliminate duplicates Z: 52 49.405 2.485 1.214 0.444 0.882 0.490 CB 1.510 52 residues pruned to eliminate duplicates Z: 26 33.089 2.390 1.063 0.470 0.920 0.480 CB 1.504 26 residues pruned to eliminate duplicates Z: 51 46.152 2.478 1.094 0.406 0.900 0.540 CB 1.543 51 residues pruned to eliminate duplicates Z: 55 43.453 2.412 1.045 0.388 0.870 0.481 CB 1.551 55 residues pruned to eliminate duplicates Z: 37 35.943 2.390 1.071 0.476 0.861 0.361 CB 1.439 37 residues pruned to eliminate duplicates Z: 25 37.279 2.431 1.116 0.510 0.958 0.500 CB 1.529 25 residues pruned to eliminate duplicates Z: 26 35.602 2.451 1.175 0.527 0.840 0.600 CB 1.549 26 residues pruned to eliminate duplicates Z: 51 46.401 2.428 1.155 0.442 0.920 0.560 CB 1.446 50 residues pruned to eliminate duplicates Z: 11 41.471 2.567 1.069 0.830 1.000 0.900 CA 1.856 11 residues pruned to eliminate duplicates Z: 36 40.613 2.409 1.170 0.464 0.886 0.543 CB 1.537 36 residues pruned to eliminate duplicates Z: 64 51.748 2.467 1.085 0.429 0.889 0.492 CB 1.535 64 residues pruned to eliminate duplicates Z: 53 46.548 2.444 1.119 0.419 0.923 0.481 CB 1.468 53 residues pruned to eliminate duplicates Z: 26 30.393 2.442 1.002 0.513 0.800 0.480 CB 1.534 26 residues pruned to eliminate duplicates Z: 37 41.820 2.447 1.116 0.494 0.917 0.556 CB 1.477 37 residues pruned to eliminate duplicates Z: 64 53.368 2.477 1.141 0.439 0.873 0.556 CB 1.546 64 residues pruned to eliminate duplicates Z: 6 8.091 1.833 1.177 0.373 0.800 0.600 CA 1.299 6 residues pruned to eliminate duplicates Z: 64 48.991 2.460 1.146 0.404 0.841 0.476 CB 1.537 64 residues pruned to eliminate duplicates Z: 50 43.810 2.392 1.180 0.466 0.878 0.592 CB 1.416 50 residues pruned to eliminate duplicates Z: 12 16.810 2.513 0.895 0.424 0.818 0.727 CB 1.408 12 residues pruned to eliminate duplicates Z: 36 39.647 2.454 1.158 0.480 0.886 0.600 CB 1.457 36 residues pruned to eliminate duplicates Z: 52 41.664 2.386 1.026 0.431 0.882 0.529 CB 1.469 52 residues pruned to eliminate duplicates Z: 74 58.831 2.434 1.223 0.439 0.877 0.603 CB 1.545 74 residues pruned to eliminate duplicates Z: 7 16.243 1.860 1.579 0.416 1.000 0.500 O 1.509 7 residues pruned to eliminate duplicates Z: 24 37.604 2.572 1.196 0.312 0.913 0.565 CB 1.872 24 residues pruned to eliminate duplicates Z: 38 56.400 2.558 1.179 0.430 0.946 0.649 CB 1.890 38 residues pruned to eliminate duplicates Z: 40 51.189 2.518 1.182 0.381 0.897 0.513 CB 1.887 40 residues pruned to eliminate duplicates Z: 24 38.938 2.472 1.087 0.344 0.957 0.522 CB 1.949 24 residues pruned to eliminate duplicates Z: 39 55.474 2.545 1.268 0.417 0.895 0.500 CB 1.900 39 residues pruned to eliminate duplicates Z: 40 54.190 2.520 1.186 0.413 0.923 0.513 CB 1.869 40 residues pruned to eliminate duplicates Z: 39 59.104 2.527 1.272 0.422 0.947 0.553 CB 1.912 39 residues pruned to eliminate duplicates Z: 40 52.611 2.495 1.228 0.406 0.897 0.538 CB 1.865 40 residues pruned to eliminate duplicates Z: 40 48.282 2.497 1.049 0.406 0.897 0.513 CB 1.857 40 residues pruned to eliminate duplicates Z: 40 53.176 2.495 1.200 0.395 0.923 0.487 CB 1.878 40 residues pruned to eliminate duplicates Z: 39 56.576 2.527 1.243 0.412 0.947 0.553 CB 1.875 39 residues pruned to eliminate duplicates Z: 40 53.554 2.516 1.131 0.403 0.949 0.564 CB 1.866 40 residues pruned to eliminate duplicates Z: 39 54.450 2.538 1.274 0.401 0.895 0.553 CB 1.898 39 residues pruned to eliminate duplicates Z: 40 53.795 2.512 1.228 0.394 0.923 0.513 CB 1.865 40 residues pruned to eliminate duplicates Z: 104 101.155 2.569 1.124 0.531 0.942 0.650 CB 1.881 104 residues pruned to eliminate duplicates Z: 40 50.361 2.508 1.163 0.412 0.897 0.590 CB 1.817 40 residues pruned to eliminate duplicates Z: 39 55.387 2.539 1.305 0.397 0.921 0.632 CB 1.858 39 residues pruned to eliminate duplicates Z: 38 55.832 2.550 1.232 0.413 0.919 0.595 CB 1.922 38 residues pruned to eliminate duplicates Z: 39 53.767 2.524 1.190 0.403 0.921 0.605 CB 1.896 39 residues pruned to eliminate duplicates Z: 41 50.832 2.476 1.246 0.391 0.875 0.600 CB 1.854 41 residues pruned to eliminate duplicates Z: 38 53.668 2.510 1.264 0.432 0.919 0.622 CB 1.814 38 residues pruned to eliminate duplicates Z: 40 49.849 2.519 1.129 0.387 0.923 0.590 CB 1.818 40 residues pruned to eliminate duplicates Z: 39 58.046 2.536 1.330 0.415 0.921 0.579 CB 1.891 39 residues pruned to eliminate duplicates Z: 51 57.780 2.484 1.281 0.404 0.900 0.560 CB 1.773 51 residues pruned to eliminate duplicates Z: 12 26.134 2.187 1.246 0.471 0.909 0.455 CB 1.818 12 residues pruned to eliminate duplicates Z: 106 104.594 2.548 1.210 0.505 0.962 0.667 CB 1.875 106 residues pruned to eliminate duplicates Z: 108 100.020 2.556 1.159 0.514 0.944 0.710 CB 1.831 108 residues pruned to eliminate duplicates Z: 39 54.377 2.521 1.205 0.401 0.921 0.632 CB 1.912 39 residues pruned to eliminate duplicates Z: 40 51.242 2.510 1.159 0.423 0.897 0.564 CB 1.829 40 residues pruned to eliminate duplicates Z: 40 50.098 2.486 1.234 0.414 0.872 0.538 CB 1.812 40 residues pruned to eliminate duplicates Z: 108 97.189 2.562 1.116 0.505 0.925 0.710 CB 1.864 108 residues pruned to eliminate duplicates Z: 109 103.082 2.567 1.213 0.510 0.926 0.639 CB 1.866 109 residues pruned to eliminate duplicates Z: 49 60.920 2.506 1.282 0.414 0.896 0.542 CB 1.877 49 residues pruned to eliminate duplicates Z: 81 86.285 2.531 1.064 0.559 0.950 0.663 CB 1.836 81 residues pruned to eliminate duplicates Z: 109 98.278 2.539 1.159 0.511 0.944 0.657 CB 1.806 109 residues pruned to eliminate duplicates Z: 51 45.690 2.391 0.984 0.371 0.920 0.520 CB 1.700 51 residues pruned to eliminate duplicates Z: 109 98.166 2.546 1.174 0.509 0.944 0.657 CB 1.791 109 residues pruned to eliminate duplicates Z: 109 95.262 2.566 1.117 0.510 0.917 0.657 CB 1.822 109 residues pruned to eliminate duplicates Z: 109 101.495 2.575 1.178 0.498 0.954 0.630 CB 1.829 109 residues pruned to eliminate duplicates Z: 71 87.134 2.558 1.111 0.575 0.957 0.729 CB 1.876 71 residues pruned to eliminate duplicates Z: 72 78.724 2.544 1.053 0.559 0.930 0.662 CB 1.817 72 residues pruned to eliminate duplicates Z: 71 73.770 2.536 1.077 0.511 0.929 0.600 CB 1.783 71 residues pruned to eliminate duplicates Z: 70 90.363 2.600 1.097 0.594 0.971 0.623 CB 1.878 70 residues pruned to eliminate duplicates Z: 70 83.548 2.598 1.034 0.587 0.957 0.696 CB 1.830 70 residues pruned to eliminate duplicates Z: 70 78.713 2.600 0.991 0.573 0.928 0.681 CB 1.839 70 residues pruned to eliminate duplicates Z: 70 82.004 2.596 1.074 0.575 0.928 0.638 CB 1.839 70 residues pruned to eliminate duplicates Z: 65 77.904 2.584 1.023 0.570 0.938 0.688 CB 1.857 65 residues pruned to eliminate duplicates Z: 71 84.633 2.568 1.080 0.577 0.957 0.757 CB 1.838 71 residues pruned to eliminate duplicates Z: 70 84.402 2.594 1.078 0.572 0.957 0.638 CB 1.838 70 residues pruned to eliminate duplicates Z: 108 100.165 2.566 1.168 0.514 0.944 0.607 CB 1.819 108 residues pruned to eliminate duplicates Z: 70 81.693 2.572 0.965 0.597 0.957 0.609 CB 1.855 70 residues pruned to eliminate duplicates Z: 70 84.382 2.591 1.060 0.567 0.957 0.739 CB 1.865 70 residues pruned to eliminate duplicates Z: 83 86.964 2.532 1.087 0.563 0.939 0.634 CB 1.821 83 residues pruned to eliminate duplicates Z: 109 97.638 2.550 1.137 0.514 0.926 0.667 CB 1.836 109 residues pruned to eliminate duplicates Z: 70 81.752 2.597 0.992 0.572 0.957 0.681 CB 1.854 70 residues pruned to eliminate duplicates Z: 108 102.513 2.575 1.119 0.519 0.944 0.664 CB 1.888 108 residues pruned to eliminate duplicates Z: 69 93.284 2.594 1.097 0.617 0.971 0.750 CB 1.918 69 residues pruned to eliminate duplicates Z: 62 90.941 2.602 1.121 0.621 0.984 0.721 CB 1.913 62 residues pruned to eliminate duplicates Z: 70 86.956 2.604 1.083 0.578 0.971 0.594 CB 1.844 70 residues pruned to eliminate duplicates Z: 58 88.350 2.611 1.194 0.624 0.965 0.737 CB 1.883 58 residues pruned to eliminate duplicates Z: 70 84.154 2.559 1.030 0.592 0.957 0.696 CB 1.867 70 residues pruned to eliminate duplicates Z: 69 89.831 2.623 1.098 0.603 0.971 0.735 CB 1.849 69 residues pruned to eliminate duplicates Z: 70 88.271 2.575 1.128 0.588 0.971 0.696 CB 1.836 70 residues pruned to eliminate duplicates Z: 71 85.786 2.574 1.113 0.581 0.957 0.643 CB 1.822 71 residues pruned to eliminate duplicates Z: 70 85.473 2.593 1.062 0.587 0.971 0.696 CB 1.823 70 residues pruned to eliminate duplicates Z: 109 102.913 2.563 1.177 0.513 0.935 0.620 CB 1.874 109 residues pruned to eliminate duplicates Z: 108 100.446 2.570 1.083 0.522 0.953 0.626 CB 1.863 108 residues pruned to eliminate duplicates Z: 66 71.243 2.556 0.912 0.546 0.954 0.677 CB 1.812 66 residues pruned to eliminate duplicates Z: 107 100.616 2.571 1.098 0.536 0.934 0.623 CB 1.872 107 residues pruned to eliminate duplicates Z: 109 103.146 2.561 1.135 0.521 0.944 0.667 CB 1.882 109 residues pruned to eliminate duplicates Z: 72 78.398 2.535 1.058 0.558 0.944 0.606 CB 1.788 72 residues pruned to eliminate duplicates Z: 72 85.520 2.557 1.066 0.589 0.958 0.690 CB 1.842 72 residues pruned to eliminate duplicates Z: 70 84.021 2.606 1.033 0.579 0.957 0.667 CB 1.850 70 residues pruned to eliminate duplicates Z: 71 77.117 2.551 1.090 0.554 0.914 0.714 CB 1.794 71 residues pruned to eliminate duplicates Z: 70 89.879 2.579 1.094 0.595 0.971 0.696 CB 1.885 70 residues pruned to eliminate duplicates Z: 70 90.417 2.599 1.148 0.591 0.942 0.710 CB 1.896 70 residues pruned to eliminate duplicates Z: 75 74.512 2.549 0.862 0.560 0.946 0.676 CB 1.820 75 residues pruned to eliminate duplicates Z: 104 104.745 2.592 1.084 0.554 0.951 0.670 CB 1.905 104 residues pruned to eliminate duplicates Z: 70 83.277 2.591 1.072 0.570 0.957 0.681 CB 1.824 70 residues pruned to eliminate duplicates Z: 100 105.672 2.581 1.195 0.546 0.949 0.657 CB 1.888 100 residues pruned to eliminate duplicates Z: 109 100.139 2.568 1.131 0.509 0.944 0.583 CB 1.848 109 residues pruned to eliminate duplicates Z: 111 101.451 2.537 1.176 0.507 0.945 0.609 CB 1.841 111 residues pruned to eliminate duplicates Z: 70 85.279 2.599 1.108 0.589 0.942 0.696 CB 1.827 70 residues pruned to eliminate duplicates Z: 108 100.682 2.576 1.130 0.531 0.935 0.673 CB 1.842 108 residues pruned to eliminate duplicates Z: 108 103.740 2.575 1.165 0.532 0.944 0.673 CB 1.846 108 residues pruned to eliminate duplicates Z: 23 77.789 2.702 1.174 0.923 1.000 0.818 CA 1.985 23 residues pruned to eliminate duplicates Z: 70 90.891 2.607 1.185 0.594 0.957 0.739 CB 1.837 70 residues pruned to eliminate duplicates Z: 109 97.042 2.544 1.138 0.522 0.926 0.602 CB 1.814 109 residues pruned to eliminate duplicates Z: 108 100.583 2.567 1.177 0.529 0.925 0.607 CB 1.828 108 residues pruned to eliminate duplicates Z: 108 105.938 2.567 1.147 0.520 0.963 0.607 CB 1.894 108 residues pruned to eliminate duplicates Z: 25 64.115 2.557 1.164 0.814 1.000 0.792 CA 1.800 25 residues pruned to eliminate duplicates Z: 108 99.461 2.578 1.167 0.529 0.916 0.664 CB 1.826 108 residues pruned to eliminate duplicates Z: 71 89.873 2.572 1.213 0.573 0.957 0.714 CB 1.837 71 residues pruned to eliminate duplicates Z: 70 88.240 2.579 1.137 0.585 0.942 0.768 CB 1.885 70 residues pruned to eliminate duplicates Z: 72 82.641 2.549 1.119 0.560 0.944 0.732 CB 1.816 72 residues pruned to eliminate duplicates Z: 69 88.296 2.596 1.135 0.580 0.971 0.721 CB 1.842 69 residues pruned to eliminate duplicates Z: 71 88.468 2.570 1.119 0.578 0.943 0.657 CB 1.911 71 residues pruned to eliminate duplicates Z: 108 104.888 2.589 1.196 0.529 0.935 0.626 CB 1.855 108 residues pruned to eliminate duplicates Z: 6 3.819 1.969 -0.083 0.418 1.000 0.000 CB 1.031 Z: 6 4.025 1.663 0.509 0.313 1.000 0.400 CA 0.882 5 residues pruned to eliminate duplicates Z: 17 41.175 2.535 0.986 0.810 0.938 0.688 CB 1.665 17 residues pruned to eliminate duplicates Z: 114 65.304 2.369 0.994 0.467 0.876 0.566 CB 1.535 121 residues pruned to eliminate duplicates Z: 27 44.992 2.654 0.975 0.553 0.885 0.731 CB 1.808 27 residues pruned to eliminate duplicates Z: 146 91.852 2.468 1.028 0.510 0.903 0.600 CB 1.670 146 residues pruned to eliminate duplicates Z: 43 50.428 2.487 0.993 0.548 0.905 0.595 CB 1.656 43 residues pruned to eliminate duplicates Z: 23 41.801 2.592 0.999 0.613 0.909 0.591 CB 1.700 23 residues pruned to eliminate duplicates Z: 107 58.397 2.386 0.869 0.465 0.868 0.538 CB 1.519 107 residues pruned to eliminate duplicates Z: 51 53.550 2.517 1.024 0.533 0.860 0.660 CB 1.673 51 residues pruned to eliminate duplicates Z: 52 49.242 2.503 0.945 0.505 0.882 0.549 CB 1.597 52 residues pruned to eliminate duplicates Z: 92 81.653 2.567 0.939 0.560 0.890 0.626 CB 1.822 92 residues pruned to eliminate duplicates Z: 49 48.750 2.527 0.882 0.527 0.854 0.646 CB 1.687 49 residues pruned to eliminate duplicates Z: 66 51.395 2.434 0.944 0.449 0.892 0.538 CB 1.590 66 residues pruned to eliminate duplicates Z: 50 52.811 2.450 1.067 0.550 0.878 0.694 CB 1.617 50 residues pruned to eliminate duplicates Z: 71 54.964 2.458 1.026 0.457 0.857 0.514 CB 1.609 71 residues pruned to eliminate duplicates Z: 156 107.351 2.525 1.029 0.517 0.929 0.613 CB 1.782 156 residues pruned to eliminate duplicates Z: 49 57.420 2.567 1.057 0.538 0.896 0.646 CB 1.689 49 residues pruned to eliminate duplicates Z: 109 64.575 2.385 0.997 0.475 0.889 0.519 CB 1.505 109 residues pruned to eliminate duplicates Z: 176 108.917 2.509 1.112 0.495 0.914 0.634 CB 1.708 176 residues pruned to eliminate duplicates Z: 24 25.682 2.455 0.805 0.482 0.913 0.609 CB 1.348 24 residues pruned to eliminate duplicates Z: 72 53.150 2.459 1.040 0.457 0.845 0.521 CB 1.555 72 residues pruned to eliminate duplicates Z: 49 52.867 2.548 0.919 0.527 0.896 0.667 CB 1.697 49 residues pruned to eliminate duplicates Z: 42 41.625 2.485 0.999 0.428 0.854 0.610 CB 1.652 42 residues pruned to eliminate duplicates Z: 112 94.830 2.554 1.012 0.561 0.928 0.685 CB 1.779 112 residues pruned to eliminate duplicates Z: 51 48.484 2.490 0.901 0.525 0.880 0.560 CB 1.606 51 residues pruned to eliminate duplicates Z: 120 94.223 2.524 1.091 0.541 0.916 0.630 CB 1.717 120 residues pruned to eliminate duplicates Z: 41 50.876 2.540 1.036 0.567 0.900 0.600 CB 1.620 41 residues pruned to eliminate duplicates Z: 52 48.923 2.474 0.978 0.530 0.882 0.647 CB 1.541 52 residues pruned to eliminate duplicates Z: 114 61.957 2.350 0.898 0.461 0.885 0.513 CB 1.536 114 residues pruned to eliminate duplicates Z: 38 38.228 2.420 0.804 0.509 0.919 0.622 CB 1.554 38 residues pruned to eliminate duplicates Z: 98 47.833 2.268 0.871 0.435 0.856 0.536 CB 1.431 98 residues pruned to eliminate duplicates Z: 48 55.318 2.576 0.967 0.545 0.894 0.596 CB 1.705 48 residues pruned to eliminate duplicates Z: 49 34.549 2.345 0.793 0.459 0.854 0.562 CB 1.448 49 residues pruned to eliminate duplicates Z: 58 54.719 2.472 1.045 0.496 0.895 0.614 CB 1.608 58 residues pruned to eliminate duplicates Z: 72 56.645 2.441 0.990 0.496 0.887 0.563 CB 1.566 72 residues pruned to eliminate duplicates Z: 41 54.780 2.578 1.031 0.581 0.925 0.650 CB 1.655 41 residues pruned to eliminate duplicates Z: 64 51.244 2.444 0.919 0.486 0.873 0.651 CB 1.599 64 residues pruned to eliminate duplicates Z: 179 102.159 2.435 1.072 0.510 0.899 0.562 CB 1.672 182 residues pruned to eliminate duplicates Z: 6 2.370 1.821 0.704 0.296 0.600 0.400 CA 0.715 6 residues pruned to eliminate duplicates Z: 52 53.504 2.485 0.972 0.544 0.902 0.608 CB 1.624 52 residues pruned to eliminate duplicates Z: 72 53.705 2.441 0.915 0.456 0.901 0.620 CB 1.581 72 residues pruned to eliminate duplicates Z: 61 40.728 2.343 0.934 0.464 0.850 0.683 CB 1.415 61 residues pruned to eliminate duplicates Z: 12 10.653 2.039 0.789 0.454 0.727 0.545 CB 1.270 12 residues pruned to eliminate duplicates Z: 79 51.607 2.441 0.987 0.444 0.846 0.538 CB 1.508 79 residues pruned to eliminate duplicates Z: 29 24.861 2.316 0.803 0.345 0.893 0.393 CB 1.491 29 residues pruned to eliminate duplicates Z: 62 53.965 2.442 1.032 0.498 0.885 0.541 CB 1.575 62 residues pruned to eliminate duplicates Z: 61 53.085 2.460 1.036 0.516 0.867 0.617 CB 1.554 61 residues pruned to eliminate duplicates Z: 130 91.208 2.508 1.007 0.525 0.922 0.597 CB 1.689 130 residues pruned to eliminate duplicates Z: 20 17.493 2.285 0.769 0.338 0.789 0.579 CB 1.501 20 residues pruned to eliminate duplicates Z: 116 62.288 2.310 0.970 0.456 0.887 0.565 CB 1.504 111 residues pruned to eliminate duplicates Z: 6 6.678 1.712 1.236 0.372 1.000 0.400 CB 0.895 6 residues pruned to eliminate duplicates Z: 32 16.893 2.040 0.790 0.276 0.839 0.516 CB 1.276 32 residues pruned to eliminate duplicates Z: 69 50.624 2.311 0.995 0.469 0.926 0.603 CB 1.483 69 residues pruned to eliminate duplicates Z: 20 20.636 2.190 0.861 0.343 0.895 0.579 CB 1.541 20 residues pruned to eliminate duplicates Z: 41 35.365 2.329 0.989 0.367 0.900 0.475 CB 1.547 41 residues pruned to eliminate duplicates Z: 21 24.415 2.253 1.062 0.384 0.850 0.650 CB 1.564 21 residues pruned to eliminate duplicates Z: 65 37.001 2.188 0.904 0.393 0.844 0.453 CB 1.473 65 residues pruned to eliminate duplicates Z: 15 13.003 2.242 0.746 0.303 0.786 0.429 CB 1.407 15 residues pruned to eliminate duplicates Z: 16 16.177 2.232 0.908 0.319 0.800 0.400 CB 1.497 16 residues pruned to eliminate duplicates Z: 64 54.883 2.438 1.085 0.491 0.841 0.619 CB 1.630 61 residues pruned to eliminate duplicates Z: 6 5.217 1.659 0.504 0.373 1.000 0.400 CB 1.071 Z: 6 6.415 2.152 0.595 0.327 0.800 0.400 CB 1.263 3 residues pruned to eliminate duplicates Z: 6 7.358 1.752 1.100 0.323 1.000 0.600 N 1.088 3 residues pruned to eliminate duplicates Z: 8 7.300 1.849 1.226 0.386 0.857 0.571 CB 0.883 7 residues pruned to eliminate duplicates Z: 6 6.145 1.881 1.013 0.218 1.000 0.400 CB 1.010 Z: 6 4.628 1.769 1.178 0.188 0.800 0.200 CB 0.976 5 residues pruned to eliminate duplicates Z: 6 8.538 1.867 1.080 0.346 0.800 0.200 CA 1.453 6 residues pruned to eliminate duplicates Z: 6 5.127 1.485 0.948 0.331 1.000 0.400 CA 0.954 4 residues pruned to eliminate duplicates Z: 13 24.365 2.034 1.179 0.760 0.833 0.500 CB 1.511 Z: 11 25.471 2.137 0.946 0.814 0.900 0.900 CB 1.638 11 residues pruned to eliminate duplicates Z: 26 26.780 2.224 0.965 0.513 0.880 0.440 CB 1.376 22 residues pruned to eliminate duplicates Z: 11 26.962 2.175 1.068 0.795 0.900 0.700 CB 1.626 11 residues pruned to eliminate duplicates Z: 37 33.897 2.201 0.992 0.480 0.889 0.528 CB 1.479 26 residues pruned to eliminate duplicates Z: 12 27.198 2.079 1.041 0.741 1.000 0.636 CB 1.558 12 residues pruned to eliminate duplicates Z: 14 27.518 2.047 0.999 0.612 1.000 0.538 CB 1.677 14 residues pruned to eliminate duplicates Z: 100 62.247 2.319 1.027 0.458 0.879 0.576 CB 1.581 100 residues pruned to eliminate duplicates Z: 38 33.583 2.170 0.968 0.473 0.919 0.568 CB 1.446 39 residues pruned to eliminate duplicates Z: 11 31.842 2.204 1.167 0.786 1.000 0.700 CB 1.639 11 residues pruned to eliminate duplicates Z: 24 30.374 2.153 1.122 0.565 0.913 0.565 CB 1.427 24 residues pruned to eliminate duplicates Z: 40 36.119 2.228 1.110 0.453 0.897 0.615 CB 1.438 43 residues pruned to eliminate duplicates Z: 7 6.340 1.453 0.973 0.542 0.833 0.500 O 1.039 7 residues pruned to eliminate duplicates Z: 25 34.034 2.277 0.961 0.556 0.917 0.542 CB 1.606 25 residues pruned to eliminate duplicates Z: 25 35.342 2.283 1.048 0.549 0.917 0.583 CB 1.604 25 residues pruned to eliminate duplicates Z: 25 32.361 2.269 0.910 0.537 0.917 0.542 CB 1.603 25 residues pruned to eliminate duplicates Z: 38 29.701 2.175 0.900 0.457 0.892 0.568 CB 1.386 38 residues pruned to eliminate duplicates Z: 14 17.149 2.250 0.801 0.480 0.846 0.615 CB 1.416 14 residues pruned to eliminate duplicates Z: 37 32.025 2.214 0.976 0.466 0.889 0.639 CB 1.420 37 residues pruned to eliminate duplicates Z: 37 33.971 2.223 1.067 0.496 0.861 0.639 CB 1.437 37 residues pruned to eliminate duplicates Z: 134 88.842 2.487 0.979 0.529 0.910 0.617 CB 1.672 180 residues pruned to eliminate duplicates Z: 13 22.907 2.293 0.809 0.503 1.000 0.833 CB 1.589 415 residues left after pruning, divided into chains as follows: A: 6 B: 219 C: 177 D: 13 CC for partial structure against native data = 44.29 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.790, Connect. = 0.774 for dens.mod. cycle 1 = 0.300, Contrast = 0.898, Connect. = 0.801 for dens.mod. cycle 2 = 0.300, Contrast = 1.105, Connect. = 0.825 for dens.mod. cycle 3 = 0.300, Contrast = 1.133, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 1.159, Connect. = 0.829 for dens.mod. cycle 5 = 0.300, Contrast = 1.166, Connect. = 0.831 for dens.mod. cycle 6 = 0.300, Contrast = 1.173, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.176, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.178, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.178, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2808 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 597 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 80 67.112 2.585 1.013 0.440 0.886 0.608 CB 1.742 B: 24 61.258 2.582 0.991 0.918 1.000 0.870 CA 1.753 C: 49 64.436 2.673 1.105 0.543 0.896 0.646 CB 1.769 49 residues pruned to eliminate duplicates D: 23 56.674 2.634 0.936 0.866 0.955 0.818 CA 1.817 24 residues pruned to eliminate duplicates E: 22 55.322 2.690 0.600 0.919 1.000 0.905 CA 1.977 F: 24 49.051 2.602 0.729 0.879 0.913 0.739 CB 1.806 23 residues pruned to eliminate duplicates G: 15 49.257 2.573 1.293 0.809 0.929 0.714 CB 1.836 20 residues pruned to eliminate duplicates H: 24 55.970 2.541 0.755 0.901 1.000 0.826 CA 1.867 23 residues pruned to eliminate duplicates I: 13 41.710 2.667 0.885 0.889 0.917 0.750 CB 1.881 13 residues pruned to eliminate duplicates J: 23 49.468 2.574 0.503 0.914 1.000 0.818 CA 1.928 23 residues pruned to eliminate duplicates K: 15 40.259 2.481 1.044 0.859 0.929 0.857 CB 1.681 15 residues pruned to eliminate duplicates L: 15 52.113 2.566 1.494 0.831 0.929 0.643 CB 1.760 15 residues pruned to eliminate duplicates M: 24 57.327 2.616 0.802 0.918 1.000 0.870 CA 1.788 24 residues pruned to eliminate duplicates N: 35 43.158 2.565 0.837 0.486 0.912 0.647 CB 1.747 35 residues pruned to eliminate duplicates O: 16 38.318 2.467 1.262 0.813 0.867 0.667 CB 1.558 P: 30 24.755 2.368 1.024 0.321 0.759 0.517 CB 1.539 30 residues pruned to eliminate duplicates Q: 15 44.632 2.506 1.132 0.909 1.000 0.786 CB 1.585 16 residues pruned to eliminate duplicates R: 23 55.622 2.610 0.727 0.913 1.000 0.864 CA 1.862 23 residues pruned to eliminate duplicates S: 23 57.697 2.663 0.723 0.928 1.000 0.909 CA 1.877 23 residues pruned to eliminate duplicates T: 16 44.141 2.422 1.185 0.862 1.000 0.667 CB 1.581 15 residues pruned to eliminate duplicates U: 15 52.536 2.556 1.348 0.832 1.000 0.714 CB 1.756 15 residues pruned to eliminate duplicates V: 22 71.285 2.706 1.113 0.921 1.000 0.762 CB 1.914 23 residues pruned to eliminate duplicates W: 23 73.625 2.636 1.142 0.929 1.000 0.636 CA 1.944 23 residues pruned to eliminate duplicates X: 83 66.908 2.518 1.128 0.430 0.890 0.561 CB 1.666 48 residues pruned to eliminate duplicates Y: 24 70.049 2.575 1.177 0.923 1.000 0.739 CB 1.831 23 residues pruned to eliminate duplicates Z: 24 56.564 2.594 0.952 0.892 0.957 0.696 CB 1.750 24 residues pruned to eliminate duplicates Z: 16 40.483 2.429 1.016 0.824 0.933 0.800 CB 1.728 16 residues pruned to eliminate duplicates Z: 14 37.655 2.603 1.110 0.780 0.846 0.692 CB 1.755 14 residues pruned to eliminate duplicates Z: 24 47.526 2.535 0.672 0.875 0.957 0.913 CB 1.778 24 residues pruned to eliminate duplicates Z: 13 34.118 2.304 1.112 0.757 1.000 0.667 CA 1.611 13 residues pruned to eliminate duplicates Z: 110 97.229 2.509 1.127 0.524 0.936 0.587 CB 1.820 23 residues pruned to eliminate duplicates Z: 23 68.129 2.681 1.076 0.922 1.000 0.682 CA 1.835 23 residues pruned to eliminate duplicates Z: 16 17.635 2.296 0.845 0.286 0.867 0.467 CA 1.578 16 residues pruned to eliminate duplicates Z: 24 57.477 2.593 0.992 0.889 0.957 0.739 CB 1.746 24 residues pruned to eliminate duplicates Z: 23 72.208 2.635 1.078 0.904 1.000 0.545 CA 2.003 23 residues pruned to eliminate duplicates Z: 16 43.764 2.429 1.182 0.888 1.000 0.667 CB 1.537 16 residues pruned to eliminate duplicates Z: 23 49.224 2.639 0.450 0.912 1.000 0.909 CB 1.942 23 residues pruned to eliminate duplicates Z: 53 46.056 2.462 0.854 0.517 0.904 0.596 CB 1.522 16 residues pruned to eliminate duplicates Z: 15 45.456 2.547 1.119 0.883 1.000 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 24 66.650 2.592 1.196 0.888 0.957 0.739 CA 1.840 24 residues pruned to eliminate duplicates Z: 30 26.871 2.409 0.999 0.306 0.793 0.483 CB 1.621 30 residues pruned to eliminate duplicates Z: 12 15.141 2.089 0.525 0.664 0.818 0.455 CA 1.505 12 residues pruned to eliminate duplicates Z: 24 58.294 2.559 0.842 0.936 0.957 0.739 CB 1.878 24 residues pruned to eliminate duplicates Z: 22 55.878 2.680 0.807 0.876 0.952 0.857 CB 1.921 22 residues pruned to eliminate duplicates Z: 108 84.895 2.497 1.033 0.513 0.935 0.645 CB 1.707 24 residues pruned to eliminate duplicates Z: 73 54.216 2.444 1.110 0.404 0.875 0.500 CB 1.566 73 residues pruned to eliminate duplicates Z: 111 55.785 2.303 0.898 0.455 0.873 0.564 CB 1.459 53 residues pruned to eliminate duplicates Z: 23 67.368 2.666 1.066 0.918 0.955 0.727 CA 1.926 23 residues pruned to eliminate duplicates Z: 107 103.686 2.578 1.177 0.505 0.953 0.679 CB 1.875 110 residues pruned to eliminate duplicates Z: 9 20.761 2.407 0.527 0.806 1.000 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 23 60.615 2.668 0.885 0.929 0.955 0.818 CB 1.884 23 residues pruned to eliminate duplicates Z: 22 67.024 2.740 0.909 0.932 1.000 0.810 CA 1.953 22 residues pruned to eliminate duplicates Z: 69 82.495 2.572 1.106 0.570 0.941 0.632 CB 1.834 70 residues pruned to eliminate duplicates Z: 24 60.711 2.526 1.008 0.912 1.000 0.609 CB 1.768 24 residues pruned to eliminate duplicates Z: 71 86.695 2.581 1.073 0.579 0.957 0.700 CB 1.876 71 residues pruned to eliminate duplicates Z: 96 70.470 2.516 1.104 0.454 0.884 0.558 CB 1.620 96 residues pruned to eliminate duplicates Z: 13 31.046 2.303 0.903 0.826 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 10 20.495 2.208 1.087 0.485 0.889 0.556 CB 1.692 10 residues pruned to eliminate duplicates Z: 64 45.664 2.453 0.923 0.434 0.857 0.476 CB 1.525 64 residues pruned to eliminate duplicates Z: 28 32.870 2.547 0.870 0.344 0.852 0.704 CB 1.847 28 residues pruned to eliminate duplicates Z: 107 88.655 2.517 1.035 0.518 0.934 0.623 CB 1.768 107 residues pruned to eliminate duplicates Z: 21 69.749 2.677 1.187 0.931 1.000 0.550 CB 1.862 21 residues pruned to eliminate duplicates Z: 15 42.577 2.528 1.098 0.904 0.929 0.714 CB 1.646 15 residues pruned to eliminate duplicates Z: 15 33.168 2.396 1.055 0.817 0.857 0.643 CA 1.595 15 residues pruned to eliminate duplicates Z: 23 63.972 2.661 0.953 0.909 1.000 0.682 CA 1.863 23 residues pruned to eliminate duplicates Z: 23 29.252 2.290 1.005 0.446 0.864 0.500 CB 1.662 23 residues pruned to eliminate duplicates Z: 34 47.681 2.537 1.124 0.415 0.939 0.667 CB 1.792 35 residues pruned to eliminate duplicates Z: 23 59.554 2.637 0.835 0.921 1.000 0.727 CB 1.847 23 residues pruned to eliminate duplicates Z: 38 55.995 2.567 1.248 0.400 0.919 0.595 CB 1.929 38 residues pruned to eliminate duplicates Z: 109 104.073 2.572 1.168 0.528 0.944 0.676 CB 1.850 107 residues pruned to eliminate duplicates Z: 17 46.904 2.582 0.940 0.870 0.875 0.625 CA 1.953 17 residues pruned to eliminate duplicates Z: 25 21.612 2.238 0.937 0.410 0.833 0.542 CB 1.341 25 residues pruned to eliminate duplicates Z: 75 82.284 2.521 1.104 0.572 0.932 0.595 CB 1.804 75 residues pruned to eliminate duplicates Z: 40 48.530 2.462 0.992 0.480 0.923 0.692 CB 1.752 40 residues pruned to eliminate duplicates Z: 30 44.289 2.664 0.982 0.552 0.862 0.586 CB 1.717 30 residues pruned to eliminate duplicates Z: 109 97.529 2.541 1.067 0.518 0.944 0.620 CB 1.858 109 residues pruned to eliminate duplicates Z: 70 76.147 2.521 0.959 0.599 0.942 0.638 CB 1.793 72 residues pruned to eliminate duplicates Z: 23 57.838 2.654 0.788 0.925 1.000 0.909 CA 1.824 23 residues pruned to eliminate duplicates Z: 109 91.051 2.491 1.089 0.499 0.954 0.667 CB 1.768 107 residues pruned to eliminate duplicates Z: 51 52.086 2.489 1.189 0.373 0.860 0.640 CB 1.801 51 residues pruned to eliminate duplicates Z: 49 47.157 2.390 1.112 0.378 0.917 0.583 CB 1.675 49 residues pruned to eliminate duplicates Z: 12 29.288 2.391 1.059 0.772 0.909 0.727 CA 1.551 12 residues pruned to eliminate duplicates Z: 49 49.473 2.422 1.078 0.402 0.917 0.667 CB 1.717 49 residues pruned to eliminate duplicates Z: 86 75.905 2.473 1.013 0.550 0.929 0.694 CB 1.695 86 residues pruned to eliminate duplicates Z: 69 79.760 2.579 1.022 0.595 0.941 0.735 CB 1.800 69 residues pruned to eliminate duplicates Z: 87 77.417 2.490 1.045 0.520 0.919 0.640 CB 1.749 73 residues pruned to eliminate duplicates Z: 23 57.719 2.666 0.877 0.879 0.955 0.818 CA 1.868 23 residues pruned to eliminate duplicates Z: 40 41.301 2.354 1.083 0.368 0.923 0.590 CB 1.684 41 residues pruned to eliminate duplicates Z: 23 18.103 2.171 0.507 0.474 0.909 0.409 CB 1.332 23 residues pruned to eliminate duplicates Z: 17 37.891 2.293 1.116 0.849 1.000 0.688 CA 1.448 17 residues pruned to eliminate duplicates Z: 82 80.478 2.476 1.056 0.562 0.951 0.630 CB 1.740 82 residues pruned to eliminate duplicates Z: 34 36.469 2.468 0.727 0.469 0.909 0.606 CB 1.691 34 residues pruned to eliminate duplicates Z: 52 44.054 2.467 0.817 0.520 0.863 0.647 CB 1.564 52 residues pruned to eliminate duplicates Z: 15 38.968 2.457 1.022 0.872 0.929 0.857 CB 1.646 15 residues pruned to eliminate duplicates Z: 70 86.935 2.595 1.070 0.589 0.957 0.696 CB 1.870 70 residues pruned to eliminate duplicates Z: 72 68.222 2.489 1.017 0.540 0.915 0.634 CB 1.693 72 residues pruned to eliminate duplicates Z: 79 86.512 2.526 1.067 0.588 0.987 0.654 CB 1.746 79 residues pruned to eliminate duplicates Z: 83 75.085 2.470 0.971 0.554 0.927 0.683 CB 1.744 83 residues pruned to eliminate duplicates Z: 23 64.386 2.583 0.935 0.916 1.000 0.818 CB 1.940 23 residues pruned to eliminate duplicates Z: 42 59.558 2.536 0.889 0.673 0.927 0.707 CB 1.787 42 residues pruned to eliminate duplicates Z: 71 86.734 2.579 1.125 0.584 0.957 0.657 CB 1.823 71 residues pruned to eliminate duplicates Z: 108 85.217 2.503 1.030 0.511 0.916 0.682 CB 1.750 108 residues pruned to eliminate duplicates Z: 11 46.449 2.782 1.016 0.903 1.000 0.400 CB 1.867 11 residues pruned to eliminate duplicates Z: 7 17.182 2.272 1.332 0.464 0.833 0.500 CA 1.649 7 residues pruned to eliminate duplicates Z: 69 86.003 2.618 1.042 0.578 0.941 0.676 CB 1.923 69 residues pruned to eliminate duplicates Z: 70 86.685 2.580 1.078 0.574 0.957 0.710 CB 1.894 70 residues pruned to eliminate duplicates Z: 47 57.295 2.546 1.046 0.581 0.935 0.696 CB 1.605 47 residues pruned to eliminate duplicates Z: 58 53.482 2.499 0.917 0.502 0.877 0.614 CB 1.682 54 residues pruned to eliminate duplicates Z: 11 34.883 2.533 1.097 0.823 0.900 0.700 CA 1.745 11 residues pruned to eliminate duplicates Z: 21 48.620 2.683 1.203 0.633 0.900 0.650 CB 1.805 21 residues pruned to eliminate duplicates Z: 6 9.967 2.197 0.568 0.373 0.800 0.600 CA 1.852 6 residues pruned to eliminate duplicates Z: 70 48.659 2.417 0.891 0.478 0.870 0.536 CB 1.507 70 residues pruned to eliminate duplicates Z: 109 86.005 2.498 0.989 0.513 0.944 0.685 CB 1.740 109 residues pruned to eliminate duplicates Z: 40 48.406 2.487 1.082 0.375 0.923 0.513 CB 1.854 29 residues pruned to eliminate duplicates Z: 7 14.111 2.514 0.156 0.873 1.000 0.833 CB 1.444 7 residues pruned to eliminate duplicates Z: 18 41.108 2.656 1.179 0.669 0.882 0.529 CB 1.670 18 residues pruned to eliminate duplicates Z: 63 50.384 2.483 1.142 0.413 0.871 0.500 CB 1.513 63 residues pruned to eliminate duplicates Z: 20 50.772 2.695 1.345 0.668 0.947 0.526 CB 1.665 23 residues pruned to eliminate duplicates Z: 75 58.590 2.511 0.873 0.470 0.878 0.568 CB 1.699 75 residues pruned to eliminate duplicates Z: 138 118.769 2.555 1.150 0.603 0.927 0.642 CB 1.806 271 residues pruned to eliminate duplicates Z: 69 85.559 2.559 1.113 0.615 0.956 0.735 CB 1.801 69 residues pruned to eliminate duplicates Z: 8 14.435 2.115 0.481 0.791 0.857 0.714 CB 1.573 8 residues pruned to eliminate duplicates Z: 57 48.373 2.437 1.054 0.428 0.875 0.482 CB 1.590 57 residues pruned to eliminate duplicates Z: 11 20.943 2.164 0.642 0.835 1.000 0.700 CA 1.396 11 residues pruned to eliminate duplicates Z: 23 55.072 2.621 0.716 0.902 1.000 0.864 CB 1.862 23 residues pruned to eliminate duplicates Z: 11 18.736 2.466 0.868 0.442 0.900 0.800 CB 1.516 Z: 11 20.159 2.035 0.683 0.823 1.000 0.900 CA 1.406 11 residues pruned to eliminate duplicates Z: 24 25.318 2.267 1.032 0.392 0.870 0.652 CB 1.478 24 residues pruned to eliminate duplicates Z: 11 22.297 2.030 1.010 0.843 0.900 0.700 CA 1.430 11 residues pruned to eliminate duplicates Z: 71 80.465 2.579 1.054 0.564 0.929 0.629 CB 1.838 13 residues pruned to eliminate duplicates Z: 48 58.277 2.543 1.140 0.413 0.915 0.617 CB 1.871 9 residues pruned to eliminate duplicates Z: 13 24.235 2.192 0.868 0.764 0.917 0.583 CA 1.474 13 residues pruned to eliminate duplicates Z: 82 57.620 2.514 0.864 0.428 0.877 0.593 CB 1.678 82 residues pruned to eliminate duplicates Z: 13 24.515 2.309 0.815 0.786 0.833 0.583 CA 1.577 13 residues pruned to eliminate duplicates Z: 48 55.132 2.534 1.064 0.409 0.936 0.702 CB 1.807 48 residues pruned to eliminate duplicates Z: 105 92.826 2.529 1.108 0.515 0.962 0.615 CB 1.749 105 residues pruned to eliminate duplicates Z: 23 50.884 2.589 0.582 0.915 1.000 0.955 CA 1.871 23 residues pruned to eliminate duplicates Z: 89 87.418 2.506 1.094 0.557 0.943 0.716 CB 1.782 89 residues pruned to eliminate duplicates Z: 18 20.698 2.238 1.033 0.389 0.824 0.588 CB 1.508 18 residues pruned to eliminate duplicates Z: 109 97.424 2.581 1.117 0.501 0.917 0.694 CB 1.870 109 residues pruned to eliminate duplicates Z: 23 83.452 2.664 1.312 0.929 1.000 0.818 CA 2.021 23 residues pruned to eliminate duplicates Z: 26 33.885 2.407 0.945 0.536 0.840 0.480 CB 1.662 26 residues pruned to eliminate duplicates Z: 15 50.977 2.524 1.286 0.888 1.000 0.786 CB 1.701 15 residues pruned to eliminate duplicates Z: 13 26.675 2.230 1.039 0.777 0.917 0.667 CA 1.447 13 residues pruned to eliminate duplicates Z: 11 8.864 1.968 0.491 0.339 0.700 0.500 CA 1.626 11 residues pruned to eliminate duplicates Z: 108 89.281 2.506 1.072 0.509 0.935 0.673 CB 1.763 108 residues pruned to eliminate duplicates Z: 26 24.219 2.231 0.939 0.420 0.840 0.560 CB 1.449 26 residues pruned to eliminate duplicates Z: 82 83.198 2.517 1.035 0.563 0.975 0.679 CB 1.740 82 residues pruned to eliminate duplicates Z: 13 23.981 2.249 0.737 0.752 0.917 0.667 CA 1.545 13 residues pruned to eliminate duplicates Z: 70 74.614 2.525 0.944 0.565 0.957 0.667 CB 1.796 70 residues pruned to eliminate duplicates Z: 11 16.576 2.160 0.527 0.759 0.900 0.700 CB 1.402 11 residues pruned to eliminate duplicates Z: 13 30.076 2.231 1.071 0.772 0.917 0.583 CA 1.612 13 residues pruned to eliminate duplicates Z: 108 100.350 2.580 1.121 0.526 0.935 0.645 CB 1.849 108 residues pruned to eliminate duplicates Z: 15 16.200 2.117 0.758 0.479 0.929 0.643 CB 1.279 15 residues pruned to eliminate duplicates Z: 81 79.083 2.502 1.031 0.571 0.938 0.713 CB 1.734 81 residues pruned to eliminate duplicates Z: 13 32.851 2.337 0.888 0.792 1.000 0.917 CB 1.663 13 residues pruned to eliminate duplicates Z: 24 65.341 2.519 1.055 0.908 1.000 0.826 CA 1.869 24 residues pruned to eliminate duplicates Z: 23 56.216 2.599 0.793 0.917 1.000 0.818 CA 1.815 23 residues pruned to eliminate duplicates Z: 19 19.855 2.117 0.752 0.320 0.889 0.611 CB 1.730 19 residues pruned to eliminate duplicates Z: 12 26.674 2.307 0.952 0.799 0.909 0.545 CA 1.512 12 residues pruned to eliminate duplicates Z: 23 77.332 2.683 1.209 0.918 1.000 0.682 CA 1.962 23 residues pruned to eliminate duplicates Z: 10 21.477 2.249 0.553 0.907 1.000 0.778 CB 1.456 10 residues pruned to eliminate duplicates Z: 23 66.817 2.575 1.043 0.916 1.000 0.591 CA 1.911 23 residues pruned to eliminate duplicates Z: 70 72.594 2.539 0.969 0.586 0.942 0.667 CB 1.709 70 residues pruned to eliminate duplicates Z: 23 60.966 2.650 0.834 0.910 1.000 0.773 CA 1.898 23 residues pruned to eliminate duplicates 6 1.824 1.680 0.646 0.256 0.600 0.400 CB 0.650 ? Z: 107 82.828 2.511 0.952 0.510 0.925 0.708 CB 1.757 107 residues pruned to eliminate duplicates Z: 15 35.371 2.426 1.159 0.908 0.857 0.643 CB 1.496 15 residues pruned to eliminate duplicates Z: 6 11.120 2.220 0.342 0.746 1.000 0.600 CA 1.339 6 residues pruned to eliminate duplicates Z: 19 52.380 2.648 0.824 0.898 0.944 0.611 CA 1.936 19 residues pruned to eliminate duplicates Z: 15 12.997 2.105 0.616 0.411 0.857 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 70 78.636 2.546 1.099 0.600 0.942 0.623 CB 1.709 70 residues pruned to eliminate duplicates Z: 11 25.124 2.036 0.928 0.849 1.000 1.000 CB 1.501 11 residues pruned to eliminate duplicates Z: 50 52.273 2.490 1.055 0.381 0.918 0.551 CB 1.803 50 residues pruned to eliminate duplicates Z: 18 27.511 2.426 0.970 0.427 0.882 0.824 CB 1.707 18 residues pruned to eliminate duplicates Z: 21 17.338 2.086 0.764 0.324 0.950 0.550 CA 1.345 21 residues pruned to eliminate duplicates Z: 52 32.440 2.115 1.041 0.438 0.882 0.510 CB 1.272 52 residues pruned to eliminate duplicates Z: 31 38.762 2.454 0.999 0.370 0.900 0.600 CB 1.841 31 residues pruned to eliminate duplicates Z: 219 118.676 2.539 1.065 0.491 0.908 0.573 CB 1.704 220 residues pruned to eliminate duplicates Z: 35 35.860 2.410 1.166 0.378 0.794 0.559 CB 1.690 23 residues pruned to eliminate duplicates Z: 15 30.950 2.394 0.651 0.912 0.929 0.929 CA 1.596 15 residues pruned to eliminate duplicates Z: 24 50.549 2.546 0.759 0.887 0.957 0.826 CB 1.774 24 residues pruned to eliminate duplicates Z: 11 8.848 2.140 0.819 0.329 0.700 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 38 57.676 2.546 1.254 0.418 0.946 0.595 CB 1.903 38 residues pruned to eliminate duplicates Z: 11 22.254 2.013 0.730 0.827 1.000 0.900 CB 1.522 11 residues pruned to eliminate duplicates Z: 23 63.161 2.574 0.992 0.927 1.000 0.864 CB 1.840 23 residues pruned to eliminate duplicates Z: 15 31.137 2.479 1.386 0.486 0.857 0.643 CB 1.666 15 residues pruned to eliminate duplicates Z: 24 18.664 2.220 0.619 0.432 0.826 0.609 CB 1.406 24 residues pruned to eliminate duplicates Z: 10 21.302 2.260 0.528 0.848 1.000 0.889 CA 1.525 10 residues pruned to eliminate duplicates Z: 48 35.283 2.435 0.821 0.334 0.830 0.468 CB 1.676 48 residues pruned to eliminate duplicates Z: 10 31.296 2.309 0.932 0.875 1.000 0.778 CA 1.700 10 residues pruned to eliminate duplicates Z: 14 12.371 2.343 0.641 0.355 0.692 0.385 CB 1.507 14 residues pruned to eliminate duplicates Z: 38 37.050 2.336 1.085 0.448 0.919 0.514 CB 1.436 38 residues pruned to eliminate duplicates Z: 72 83.366 2.536 1.047 0.583 0.958 0.718 CB 1.838 72 residues pruned to eliminate duplicates Z: 48 47.839 2.419 1.093 0.396 0.915 0.638 CB 1.681 48 residues pruned to eliminate duplicates Z: 108 96.390 2.508 1.110 0.539 0.953 0.673 CB 1.778 108 residues pruned to eliminate duplicates Z: 6 7.789 1.657 0.606 0.881 1.000 0.800 CB 0.948 6 residues pruned to eliminate duplicates Z: 15 39.000 2.467 1.054 0.847 0.929 0.786 CA 1.644 15 residues pruned to eliminate duplicates Z: 75 66.304 2.417 0.958 0.537 0.919 0.676 CB 1.709 75 residues pruned to eliminate duplicates Z: 109 99.410 2.538 1.122 0.521 0.926 0.667 CB 1.879 109 residues pruned to eliminate duplicates Z: 14 16.701 2.141 0.650 0.536 0.923 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 14 46.656 2.642 1.061 0.832 0.923 0.692 CB 1.934 14 residues pruned to eliminate duplicates Z: 12 10.667 1.913 0.938 0.377 0.909 0.455 CB 1.089 12 residues pruned to eliminate duplicates Z: 71 79.375 2.544 1.028 0.562 0.929 0.600 CB 1.865 71 residues pruned to eliminate duplicates Z: 8 9.957 2.178 0.796 0.504 0.714 0.571 CB 1.342 8 residues pruned to eliminate duplicates Z: 26 23.913 2.086 0.866 0.515 0.880 0.560 CB 1.375 26 residues pruned to eliminate duplicates Z: 8 2.197 1.646 0.277 0.205 0.714 0.286 CB 0.785 8 residues pruned to eliminate duplicates Z: 37 35.433 2.378 1.064 0.523 0.833 0.472 CB 1.412 37 residues pruned to eliminate duplicates Z: 12 22.222 1.919 0.928 0.774 1.000 0.909 CB 1.421 12 residues pruned to eliminate duplicates Z: 18 25.429 2.371 1.081 0.352 0.941 0.529 CB 1.558 18 residues pruned to eliminate duplicates Z: 66 77.369 2.520 1.025 0.578 0.954 0.585 CB 1.829 66 residues pruned to eliminate duplicates Z: 24 33.053 2.223 1.020 0.511 0.957 0.609 CB 1.587 24 residues pruned to eliminate duplicates Z: 36 49.271 2.482 1.250 0.409 0.914 0.629 CB 1.793 36 residues pruned to eliminate duplicates Z: 11 21.734 2.039 0.713 0.809 1.000 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 23 71.988 2.600 1.174 0.922 1.000 0.864 CB 1.909 23 residues pruned to eliminate duplicates Z: 51 49.611 2.459 1.025 0.361 0.920 0.640 CB 1.780 51 residues pruned to eliminate duplicates Z: 23 45.068 2.682 1.078 0.661 0.864 0.636 CB 1.720 23 residues pruned to eliminate duplicates Z: 11 23.292 2.169 1.004 0.859 1.000 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 64 57.042 2.504 1.067 0.419 0.921 0.492 CB 1.641 64 residues pruned to eliminate duplicates Z: 70 80.032 2.554 1.072 0.601 0.942 0.696 CB 1.756 70 residues pruned to eliminate duplicates Z: 11 7.520 2.279 0.438 0.362 0.700 0.400 CB 1.202 11 residues pruned to eliminate duplicates Z: 23 53.283 2.633 0.673 0.914 1.000 0.909 CA 1.824 23 residues pruned to eliminate duplicates Z: 8 10.765 1.935 0.624 0.487 0.857 0.714 CB 1.530 8 residues pruned to eliminate duplicates Z: 12 16.381 2.221 0.918 0.392 0.818 0.545 C 1.590 12 residues pruned to eliminate duplicates Z: 71 86.089 2.559 1.102 0.583 0.957 0.700 CB 1.845 71 residues pruned to eliminate duplicates Z: 13 31.142 2.399 0.644 0.911 1.000 0.833 CB 1.615 13 residues pruned to eliminate duplicates Z: 71 73.646 2.540 0.961 0.575 0.943 0.643 CB 1.744 71 residues pruned to eliminate duplicates Z: 24 65.337 2.587 1.090 0.922 1.000 0.870 CA 1.773 24 residues pruned to eliminate duplicates Z: 11 22.825 2.109 0.939 0.788 0.900 0.800 CA 1.522 11 residues pruned to eliminate duplicates Z: 52 59.529 2.611 1.039 0.529 0.863 0.667 CB 1.765 52 residues pruned to eliminate duplicates Z: 123 90.458 2.501 0.964 0.551 0.910 0.631 CB 1.744 123 residues pruned to eliminate duplicates Z: 12 14.840 1.769 0.614 0.839 0.909 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 29 27.299 2.251 1.043 0.362 0.857 0.500 CB 1.519 29 residues pruned to eliminate duplicates Z: 28 34.532 2.410 1.234 0.346 0.852 0.519 CB 1.713 28 residues pruned to eliminate duplicates Z: 43 44.793 2.366 0.847 0.475 0.929 0.667 CB 1.748 43 residues pruned to eliminate duplicates Z: 9 25.477 2.144 1.381 0.550 1.000 0.625 CB 1.681 9 residues pruned to eliminate duplicates Z: 11 26.913 2.029 0.953 0.869 1.000 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 9 11.563 1.853 0.351 0.797 0.875 0.500 CB 1.439 9 residues pruned to eliminate duplicates Z: 11 25.020 2.040 0.895 0.816 1.000 0.700 CB 1.555 11 residues pruned to eliminate duplicates Z: 16 22.857 2.314 1.058 0.465 0.867 0.733 CB 1.482 16 residues pruned to eliminate duplicates Z: 109 84.312 2.486 0.985 0.506 0.926 0.676 CB 1.765 109 residues pruned to eliminate duplicates Z: 107 77.649 2.490 0.928 0.486 0.915 0.623 CB 1.742 107 residues pruned to eliminate duplicates Z: 83 73.366 2.454 1.009 0.576 0.915 0.671 CB 1.670 83 residues pruned to eliminate duplicates Z: 13 16.543 2.321 0.783 0.452 0.833 0.667 CB 1.455 13 residues pruned to eliminate duplicates Z: 8 11.034 1.927 0.216 0.778 0.857 0.714 CA 1.625 8 residues pruned to eliminate duplicates Z: 32 28.834 2.324 0.711 0.492 0.871 0.774 CB 1.507 32 residues pruned to eliminate duplicates Z: 104 76.849 2.473 0.974 0.539 0.883 0.641 CB 1.689 104 residues pruned to eliminate duplicates Z: 21 12.571 1.884 0.742 0.352 0.850 0.500 CB 1.183 21 residues pruned to eliminate duplicates Z: 8 18.304 2.014 0.578 0.813 1.000 0.429 CB 1.658 8 residues pruned to eliminate duplicates Z: 13 9.222 2.140 0.794 0.235 0.750 0.500 CB 1.258 12 residues pruned to eliminate duplicates Z: 9 5.843 2.039 0.557 0.307 0.625 0.625 CB 1.291 9 residues pruned to eliminate duplicates Z: 100 104.255 2.571 1.131 0.550 0.949 0.636 CB 1.919 100 residues pruned to eliminate duplicates Z: 29 40.056 2.587 0.933 0.514 0.857 0.500 CB 1.742 29 residues pruned to eliminate duplicates Z: 26 29.008 2.129 1.015 0.541 0.920 0.600 CB 1.413 26 residues pruned to eliminate duplicates Z: 35 35.542 2.456 1.048 0.472 0.853 0.500 CB 1.462 35 residues pruned to eliminate duplicates Z: 61 84.648 2.543 1.049 0.633 0.967 0.667 CB 1.915 61 residues pruned to eliminate duplicates Z: 24 35.281 2.508 1.118 0.435 0.870 0.609 CB 1.704 24 residues pruned to eliminate duplicates Z: 64 51.899 2.463 1.150 0.439 0.857 0.492 CB 1.535 64 residues pruned to eliminate duplicates Z: 24 24.762 2.322 1.187 0.327 0.913 0.522 CB 1.347 24 residues pruned to eliminate duplicates Z: 6 2.735 1.915 -0.066 0.426 0.600 0.600 N 1.230 6 residues pruned to eliminate duplicates Z: 42 42.570 2.432 1.025 0.345 0.902 0.488 CB 1.771 42 residues pruned to eliminate duplicates Z: 80 74.602 2.474 1.000 0.527 0.962 0.709 CB 1.716 80 residues pruned to eliminate duplicates Z: 10 25.006 2.038 1.134 0.814 1.000 0.667 CB 1.458 10 residues pruned to eliminate duplicates Z: 107 85.387 2.524 1.020 0.525 0.915 0.698 CB 1.735 107 residues pruned to eliminate duplicates Z: 8 13.222 2.068 1.120 0.530 0.857 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 93 61.976 2.456 0.872 0.414 0.913 0.576 CB 1.684 93 residues pruned to eliminate duplicates Z: 19 28.801 2.484 0.778 0.466 0.944 0.556 CB 1.686 19 residues pruned to eliminate duplicates Z: 10 6.322 1.901 0.045 0.362 0.778 0.556 CA 1.582 10 residues pruned to eliminate duplicates Z: 22 59.240 2.619 0.859 0.917 1.000 0.952 CA 1.875 22 residues pruned to eliminate duplicates Z: 9 16.321 2.016 0.504 0.762 1.000 0.500 CA 1.509 9 residues pruned to eliminate duplicates Z: 11 17.328 1.950 0.658 0.796 0.900 0.600 CB 1.452 11 residues pruned to eliminate duplicates Z: 63 46.663 2.445 0.958 0.431 0.871 0.548 CB 1.527 63 residues pruned to eliminate duplicates Z: 12 19.121 1.932 0.851 0.813 0.909 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 6 12.081 2.352 0.609 0.481 0.800 0.800 CA 1.818 6 residues pruned to eliminate duplicates Z: 48 60.089 2.633 0.905 0.532 0.936 0.574 CB 1.809 48 residues pruned to eliminate duplicates Z: 52 51.886 2.480 1.147 0.422 0.922 0.510 CB 1.606 52 residues pruned to eliminate duplicates Z: 44 78.326 2.599 1.181 0.663 0.930 0.674 CB 1.948 45 residues pruned to eliminate duplicates Z: 48 47.273 2.476 0.893 0.559 0.851 0.617 CB 1.633 48 residues pruned to eliminate duplicates Z: 27 37.196 2.356 1.128 0.568 0.923 0.615 CB 1.476 26 residues pruned to eliminate duplicates Z: 19 46.546 2.456 1.178 0.839 0.889 0.556 CA 1.722 19 residues pruned to eliminate duplicates Z: 22 29.489 2.389 0.991 0.431 0.762 0.381 CB 1.908 22 residues pruned to eliminate duplicates Z: 105 105.366 2.557 1.162 0.543 0.962 0.625 CB 1.864 116 residues pruned to eliminate duplicates Z: 93 88.639 2.495 1.174 0.544 0.913 0.565 CB 1.788 58 residues pruned to eliminate duplicates Z: 29 38.526 2.372 0.932 0.548 0.929 0.643 CB 1.633 11 residues pruned to eliminate duplicates Z: 56 47.878 2.475 1.090 0.427 0.873 0.564 CB 1.542 56 residues pruned to eliminate duplicates Z: 16 17.230 2.172 1.037 0.346 0.733 0.533 CB 1.621 16 residues pruned to eliminate duplicates Z: 9 12.027 1.866 0.513 0.706 1.000 0.500 CB 1.248 9 residues pruned to eliminate duplicates Z: 11 18.586 2.134 1.129 0.464 1.000 0.600 CA 1.342 11 residues pruned to eliminate duplicates Z: 6 5.186 1.908 -0.251 0.846 1.000 0.600 CB 1.206 6 residues pruned to eliminate duplicates Z: 70 67.179 2.450 1.027 0.438 0.971 0.623 CB 1.787 71 residues pruned to eliminate duplicates Z: 9 10.740 1.913 0.271 0.790 0.875 0.750 CA 1.384 9 residues pruned to eliminate duplicates Z: 103 84.775 2.479 1.107 0.481 0.922 0.618 CB 1.777 168 residues pruned to eliminate duplicates Z: 19 25.627 2.226 0.929 0.454 0.889 0.667 CB 1.659 19 residues pruned to eliminate duplicates Z: 6 6.374 2.068 0.316 0.263 1.000 0.600 CB 1.372 6 residues pruned to eliminate duplicates Z: 7 7.617 1.688 1.164 0.624 0.833 0.500 N 0.909 Z: 9 3.485 1.661 0.278 0.339 0.750 0.375 CB 0.922 Z: 63 50.781 2.457 1.135 0.428 0.855 0.484 CB 1.550 63 residues pruned to eliminate duplicates Z: 42 75.974 2.635 1.147 0.675 0.976 0.683 CB 1.829 42 residues pruned to eliminate duplicates Z: 13 5.347 1.914 0.711 0.220 0.833 0.250 CB 0.785 13 residues pruned to eliminate duplicates Z: 34 26.405 2.186 0.632 0.496 0.848 0.606 CB 1.525 34 residues pruned to eliminate duplicates Z: 49 61.830 2.486 1.251 0.399 0.938 0.562 CB 1.891 50 residues pruned to eliminate duplicates Z: 15 39.338 2.494 1.320 0.485 1.000 0.786 CB 1.845 15 residues pruned to eliminate duplicates Z: 14 23.393 2.291 0.937 0.440 0.923 0.615 CB 1.686 14 residues pruned to eliminate duplicates Z: 109 59.612 2.418 0.939 0.418 0.880 0.556 CB 1.514 109 residues pruned to eliminate duplicates Z: 141 91.108 2.532 1.064 0.495 0.879 0.564 CB 1.686 141 residues pruned to eliminate duplicates Z: 74 79.695 2.450 1.108 0.599 0.959 0.671 CB 1.714 74 residues pruned to eliminate duplicates Z: 29 28.491 2.245 1.053 0.477 0.857 0.571 CB 1.395 29 residues pruned to eliminate duplicates Z: 40 46.602 2.461 1.090 0.364 0.923 0.436 CB 1.819 40 residues pruned to eliminate duplicates Z: 11 35.412 2.487 0.690 0.919 1.000 1.000 CA 1.877 11 residues pruned to eliminate duplicates Z: 45 77.501 2.583 1.174 0.665 0.955 0.818 CB 1.870 45 residues pruned to eliminate duplicates Z: 71 56.571 2.403 1.036 0.508 0.871 0.557 CB 1.574 71 residues pruned to eliminate duplicates Z: 49 48.929 2.509 0.917 0.564 0.854 0.562 CB 1.615 49 residues pruned to eliminate duplicates Z: 17 21.711 2.348 0.993 0.365 0.812 0.625 CB 1.651 17 residues pruned to eliminate duplicates Z: 61 51.983 2.504 1.076 0.435 0.883 0.633 CB 1.564 61 residues pruned to eliminate duplicates Z: 28 29.132 2.358 0.785 0.483 0.889 0.704 CB 1.525 28 residues pruned to eliminate duplicates Z: 9 9.025 1.845 0.565 0.442 0.875 0.625 CA 1.340 9 residues pruned to eliminate duplicates Z: 102 95.260 2.564 1.074 0.533 0.921 0.653 CB 1.875 102 residues pruned to eliminate duplicates Z: 8 9.201 1.810 0.933 0.474 0.857 0.571 CB 1.191 8 residues pruned to eliminate duplicates Z: 7 15.606 2.257 1.178 0.614 1.000 0.833 CB 1.163 7 residues pruned to eliminate duplicates Z: 11 21.287 1.907 1.142 0.857 1.000 0.800 CB 1.214 11 residues pruned to eliminate duplicates Z: 24 40.743 2.452 1.228 0.555 0.913 0.522 CB 1.614 24 residues pruned to eliminate duplicates Z: 50 44.085 2.363 0.998 0.386 0.918 0.612 CB 1.640 50 residues pruned to eliminate duplicates Z: 116 76.517 2.520 1.039 0.467 0.870 0.591 CB 1.652 116 residues pruned to eliminate duplicates Z: 7 5.642 1.694 0.749 0.405 0.667 0.333 CA 1.289 Z: 28 22.347 2.288 0.610 0.382 0.815 0.481 CB 1.624 28 residues pruned to eliminate duplicates Z: 59 50.320 2.379 1.010 0.403 0.931 0.621 CB 1.643 59 residues pruned to eliminate duplicates Z: 8 10.979 1.970 0.518 0.746 0.714 0.571 CA 1.559 8 residues pruned to eliminate duplicates Z: 36 37.644 2.359 1.011 0.498 0.886 0.514 CB 1.518 36 residues pruned to eliminate duplicates Z: 18 35.929 2.411 1.133 0.512 0.941 0.706 CB 1.780 18 residues pruned to eliminate duplicates Z: 104 90.282 2.529 1.067 0.535 0.932 0.641 CB 1.763 104 residues pruned to eliminate duplicates Z: 32 37.043 2.355 0.939 0.456 0.903 0.548 CB 1.687 32 residues pruned to eliminate duplicates Z: 60 76.441 2.546 0.978 0.636 0.983 0.729 CB 1.769 60 residues pruned to eliminate duplicates Z: 21 32.826 2.291 1.090 0.457 0.950 0.650 CB 1.687 21 residues pruned to eliminate duplicates Z: 13 26.983 2.128 1.092 0.751 0.917 0.667 CB 1.526 13 residues pruned to eliminate duplicates Z: 30 44.819 2.434 1.199 0.401 0.966 0.655 CB 1.788 30 residues pruned to eliminate duplicates Z: 10 11.115 2.269 0.625 0.384 0.778 0.778 CB 1.461 10 residues pruned to eliminate duplicates Z: 11 16.856 2.015 0.910 0.794 0.800 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 22 25.280 2.322 0.869 0.363 0.905 0.619 CB 1.628 22 residues pruned to eliminate duplicates Z: 54 78.837 2.556 0.977 0.623 0.981 0.660 CA 1.945 54 residues pruned to eliminate duplicates Z: 30 36.284 2.365 0.991 0.391 0.966 0.621 CB 1.663 30 residues pruned to eliminate duplicates Z: 36 49.633 2.490 1.105 0.438 0.943 0.686 CB 1.811 36 residues pruned to eliminate duplicates Z: 7 8.704 2.112 0.399 0.279 0.833 0.667 O 1.852 7 residues pruned to eliminate duplicates Z: 11 14.087 2.195 0.940 0.481 0.700 0.600 CB 1.524 11 residues pruned to eliminate duplicates Z: 9 11.707 1.972 1.024 0.327 0.750 0.500 N 1.671 9 residues pruned to eliminate duplicates Z: 71 80.120 2.544 1.043 0.567 0.929 0.600 CB 1.859 78 residues pruned to eliminate duplicates Z: 7 9.984 2.072 0.426 0.815 0.833 0.667 CB 1.259 7 residues pruned to eliminate duplicates Z: 51 60.316 2.620 1.116 0.552 0.860 0.660 CB 1.701 51 residues pruned to eliminate duplicates Z: 13 23.200 1.991 0.982 0.718 0.917 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 16 12.943 2.116 0.485 0.408 1.000 0.533 CB 1.171 16 residues pruned to eliminate duplicates Z: 39 33.569 2.346 0.988 0.407 0.789 0.500 CB 1.631 39 residues pruned to eliminate duplicates Z: 10 16.414 2.225 0.758 0.832 0.889 0.333 CB 1.181 10 residues pruned to eliminate duplicates Z: 60 41.813 2.421 1.000 0.408 0.847 0.593 CB 1.461 60 residues pruned to eliminate duplicates Z: 12 32.090 2.362 0.970 0.742 1.000 0.636 CA 1.674 12 residues pruned to eliminate duplicates Z: 6 2.386 1.742 0.349 0.100 0.600 0.400 O 1.261 Z: 55 70.142 2.463 0.994 0.595 0.944 0.741 CB 1.879 55 residues pruned to eliminate duplicates Z: 55 84.488 2.542 1.114 0.612 0.981 0.648 CA 1.960 55 residues pruned to eliminate duplicates Z: 81 67.958 2.439 0.901 0.517 0.963 0.675 CB 1.673 81 residues pruned to eliminate duplicates Z: 109 95.661 2.538 1.058 0.519 0.935 0.602 CB 1.850 109 residues pruned to eliminate duplicates Z: 19 26.811 2.352 0.849 0.442 0.833 0.500 CB 1.852 19 residues pruned to eliminate duplicates Z: 42 45.035 2.527 0.935 0.446 0.829 0.585 CB 1.834 42 residues pruned to eliminate duplicates Z: 45 58.264 2.586 1.001 0.530 0.955 0.705 CB 1.728 45 residues pruned to eliminate duplicates Z: 40 49.950 2.509 1.094 0.398 0.923 0.590 CB 1.836 40 residues pruned to eliminate duplicates Z: 54 45.474 2.314 0.843 0.471 0.925 0.679 CB 1.631 54 residues pruned to eliminate duplicates Z: 27 20.450 2.199 0.796 0.386 0.808 0.423 CB 1.419 27 residues pruned to eliminate duplicates Z: 6 3.412 1.877 -0.155 0.568 1.000 0.600 CB 0.901 Z: 8 14.049 1.855 0.468 0.799 1.000 0.714 CB 1.501 8 residues pruned to eliminate duplicates Z: 9 8.165 1.850 0.349 0.699 0.875 0.375 CB 1.102 9 residues pruned to eliminate duplicates Z: 9 8.962 1.913 1.061 0.449 0.750 0.375 CB 1.129 9 residues pruned to eliminate duplicates Z: 37 36.055 2.371 1.065 0.410 0.833 0.500 CB 1.618 37 residues pruned to eliminate duplicates Z: 14 7.155 1.614 1.035 0.330 0.615 0.462 CB 1.183 21 residues pruned to eliminate duplicates Z: 11 39.017 2.425 1.199 0.847 1.000 0.600 CB 1.717 11 residues pruned to eliminate duplicates Z: 30 25.594 2.194 0.807 0.469 0.862 0.586 CB 1.434 30 residues pruned to eliminate duplicates Z: 12 25.533 2.369 0.809 0.565 1.000 0.818 CB 1.688 20 residues pruned to eliminate duplicates Z: 10 9.859 1.995 0.716 0.356 0.889 0.444 CB 1.262 10 residues pruned to eliminate duplicates Z: 6 9.511 1.739 0.426 0.773 1.000 0.800 O 1.347 6 residues pruned to eliminate duplicates Z: 52 50.275 2.366 0.962 0.477 0.941 0.647 CB 1.649 52 residues pruned to eliminate duplicates Z: 49 50.096 2.474 1.047 0.555 0.854 0.625 CB 1.584 49 residues pruned to eliminate duplicates Z: 81 70.576 2.487 1.041 0.428 0.938 0.625 CB 1.786 81 residues pruned to eliminate duplicates Z: 8 5.890 2.004 0.115 0.378 0.857 0.429 CB 1.324 Z: 25 36.063 2.471 0.746 0.539 0.958 0.708 CB 1.714 25 residues pruned to eliminate duplicates Z: 9 17.831 2.020 0.699 0.846 1.000 0.875 CA 1.365 9 residues pruned to eliminate duplicates Z: 69 70.413 2.524 0.946 0.548 0.941 0.691 CB 1.762 69 residues pruned to eliminate duplicates Z: 82 96.060 2.556 1.138 0.587 0.951 0.654 CB 1.890 82 residues pruned to eliminate duplicates Z: 90 83.879 2.529 1.056 0.488 0.921 0.640 CB 1.879 90 residues pruned to eliminate duplicates Z: 38 26.280 2.240 0.828 0.325 0.811 0.541 CB 1.577 38 residues pruned to eliminate duplicates Z: 129 96.617 2.514 1.090 0.543 0.898 0.578 CB 1.734 129 residues pruned to eliminate duplicates 6 1.856 1.462 0.534 0.564 0.800 0.600 CB 0.435 ? 6 1.530 1.696 0.520 0.129 0.400 0.200 CB 1.056 ? Z: 8 14.895 2.073 0.412 0.776 1.000 0.714 CB 1.508 8 residues pruned to eliminate duplicates Z: 11 27.000 2.215 1.213 0.782 0.900 0.700 CB 1.510 11 residues pruned to eliminate duplicates Z: 52 50.908 2.443 1.158 0.391 0.902 0.569 CB 1.682 52 residues pruned to eliminate duplicates Z: 14 6.529 1.867 0.618 0.179 0.769 0.462 CB 1.147 14 residues pruned to eliminate duplicates Z: 39 27.583 2.078 0.989 0.416 0.895 0.368 CB 1.321 39 residues pruned to eliminate duplicates Z: 16 16.303 2.021 1.030 0.389 0.800 0.533 CB 1.443 16 residues pruned to eliminate duplicates Z: 51 47.379 2.438 1.123 0.416 0.940 0.540 CB 1.504 51 residues pruned to eliminate duplicates Z: 27 23.551 2.246 1.232 0.441 0.769 0.308 CB 1.273 27 residues pruned to eliminate duplicates Z: 6 2.941 1.706 -0.026 0.615 0.800 0.800 CB 0.887 Z: 8 2.324 1.589 0.314 0.212 0.714 0.571 C 0.828 Z: 52 54.904 2.501 1.086 0.398 0.902 0.510 CB 1.819 52 residues pruned to eliminate duplicates Z: 69 63.777 2.413 0.924 0.551 0.941 0.676 CB 1.684 69 residues pruned to eliminate duplicates Z: 28 34.024 2.313 1.337 0.472 0.815 0.370 CB 1.530 28 residues pruned to eliminate duplicates Z: 7 3.873 1.693 0.452 0.549 0.833 0.833 CB 0.735 Z: 43 43.012 2.371 0.909 0.421 0.952 0.690 CB 1.672 43 residues pruned to eliminate duplicates Z: 21 17.579 2.168 0.729 0.495 0.700 0.450 CB 1.506 21 residues pruned to eliminate duplicates Z: 68 83.625 2.574 1.063 0.591 0.955 0.687 CB 1.846 68 residues pruned to eliminate duplicates Z: 8 8.596 2.099 1.285 0.400 0.571 0.143 CB 1.316 8 residues pruned to eliminate duplicates Z: 7 3.733 1.665 0.279 0.362 1.000 0.667 CB 0.830 Z: 19 33.312 2.486 1.166 0.389 0.889 0.667 CB 1.844 19 residues pruned to eliminate duplicates Z: 19 42.215 2.536 1.199 0.498 0.944 0.556 CB 1.892 19 residues pruned to eliminate duplicates Z: 23 33.685 2.196 1.349 0.457 0.955 0.545 CB 1.524 23 residues pruned to eliminate duplicates Z: 8 4.919 1.925 0.530 0.313 0.714 0.571 CB 1.087 8 residues pruned to eliminate duplicates Z: 9 13.967 2.118 0.881 0.456 0.875 0.750 CB 1.481 9 residues pruned to eliminate duplicates Z: 7 5.137 1.775 1.227 0.433 0.500 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 9 11.397 1.978 0.828 0.410 0.875 0.375 CB 1.399 9 residues pruned to eliminate duplicates Z: 12 16.177 2.080 0.534 0.832 0.909 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 33 36.147 2.313 0.877 0.510 0.969 0.625 CB 1.505 33 residues pruned to eliminate duplicates Z: 70 91.858 2.566 1.123 0.599 0.957 0.696 CB 1.932 70 residues pruned to eliminate duplicates Z: 82 77.829 2.444 0.974 0.586 0.938 0.728 CB 1.759 82 residues pruned to eliminate duplicates Z: 25 22.036 2.172 0.983 0.370 0.792 0.500 CB 1.516 25 residues pruned to eliminate duplicates Z: 40 49.250 2.482 1.130 0.402 0.923 0.564 CB 1.792 40 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 14.473 2.147 0.699 0.209 0.706 0.324 CB 1.361 35 residues pruned to eliminate duplicates Z: 7 2.740 1.582 0.566 0.236 0.667 0.333 CB 0.921 Z: 6 7.167 1.812 1.001 0.312 0.800 0.600 C 1.361 6 residues pruned to eliminate duplicates Z: 50 53.016 2.426 1.252 0.395 0.898 0.592 CB 1.724 50 residues pruned to eliminate duplicates Z: 78 70.559 2.411 1.020 0.462 0.948 0.727 CB 1.811 78 residues pruned to eliminate duplicates Z: 35 41.267 2.496 1.102 0.386 0.882 0.735 CB 1.726 35 residues pruned to eliminate duplicates Z: 36 48.575 2.485 1.199 0.396 0.943 0.686 CB 1.779 36 residues pruned to eliminate duplicates Z: 108 86.012 2.524 1.035 0.504 0.925 0.636 CB 1.743 108 residues pruned to eliminate duplicates Z: 39 49.850 2.404 1.105 0.433 0.974 0.684 CB 1.759 37 residues pruned to eliminate duplicates Z: 7 9.866 2.003 0.582 0.519 0.833 0.500 N 1.498 7 residues pruned to eliminate duplicates Z: 80 67.619 2.435 1.089 0.439 0.924 0.608 CB 1.724 80 residues pruned to eliminate duplicates Z: 98 90.674 2.523 1.046 0.542 0.948 0.649 CB 1.803 99 residues pruned to eliminate duplicates Z: 7 11.079 1.932 0.601 0.516 1.000 0.667 CB 1.440 7 residues pruned to eliminate duplicates Z: 108 85.645 2.509 1.033 0.514 0.916 0.626 CB 1.748 108 residues pruned to eliminate duplicates Z: 35 47.811 2.528 1.105 0.413 0.941 0.559 CB 1.793 35 residues pruned to eliminate duplicates Z: 108 85.763 2.501 1.017 0.518 0.907 0.682 CB 1.780 108 residues pruned to eliminate duplicates Z: 109 86.605 2.524 1.044 0.505 0.926 0.713 CB 1.736 109 residues pruned to eliminate duplicates Z: 78 64.724 2.417 1.078 0.432 0.922 0.597 CB 1.709 78 residues pruned to eliminate duplicates Z: 91 82.314 2.519 0.990 0.543 0.956 0.689 CB 1.737 91 residues pruned to eliminate duplicates Z: 108 91.807 2.537 1.043 0.519 0.963 0.673 CB 1.746 108 residues pruned to eliminate duplicates Z: 48 47.949 2.381 1.027 0.407 0.936 0.617 CB 1.705 48 residues pruned to eliminate duplicates Z: 48 47.139 2.439 1.017 0.407 0.915 0.617 CB 1.684 48 residues pruned to eliminate duplicates Z: 49 47.061 2.417 1.093 0.404 0.896 0.521 CB 1.659 49 residues pruned to eliminate duplicates Z: 49 50.391 2.392 1.158 0.400 0.917 0.562 CB 1.708 49 residues pruned to eliminate duplicates Z: 50 50.182 2.445 1.066 0.392 0.939 0.551 CB 1.695 50 residues pruned to eliminate duplicates Z: 40 47.380 2.413 1.184 0.410 0.923 0.564 CB 1.715 40 residues pruned to eliminate duplicates Z: 109 86.106 2.517 1.045 0.517 0.907 0.657 CB 1.743 109 residues pruned to eliminate duplicates Z: 11 23.092 2.225 1.281 0.512 0.900 0.600 CB 1.579 11 residues pruned to eliminate duplicates Z: 12 16.693 1.969 1.250 0.508 0.909 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 41 39.857 2.392 1.065 0.389 0.875 0.550 CB 1.641 41 residues pruned to eliminate duplicates Z: 50 52.990 2.425 1.192 0.418 0.918 0.612 CB 1.688 50 residues pruned to eliminate duplicates Z: 36 51.620 2.498 1.116 0.441 0.971 0.571 CB 1.806 36 residues pruned to eliminate duplicates Z: 93 83.465 2.509 1.053 0.545 0.946 0.674 CB 1.710 93 residues pruned to eliminate duplicates Z: 108 90.249 2.494 1.077 0.523 0.935 0.682 CB 1.762 108 residues pruned to eliminate duplicates Z: 50 50.252 2.407 1.158 0.392 0.918 0.571 CB 1.688 50 residues pruned to eliminate duplicates Z: 79 83.148 2.500 1.047 0.577 0.949 0.692 CB 1.801 79 residues pruned to eliminate duplicates Z: 81 83.544 2.519 1.042 0.560 0.975 0.700 CB 1.756 81 residues pruned to eliminate duplicates Z: 83 79.202 2.483 1.075 0.551 0.927 0.622 CB 1.744 83 residues pruned to eliminate duplicates Z: 32 40.034 2.375 1.124 0.418 0.903 0.677 CB 1.719 32 residues pruned to eliminate duplicates Z: 83 78.677 2.496 0.971 0.541 0.951 0.671 CB 1.785 83 residues pruned to eliminate duplicates Z: 69 83.241 2.577 1.000 0.588 1.000 0.735 CB 1.800 69 residues pruned to eliminate duplicates Z: 70 79.725 2.559 0.994 0.593 0.942 0.710 CB 1.826 70 residues pruned to eliminate duplicates Z: 82 79.758 2.514 1.084 0.569 0.914 0.679 CB 1.733 82 residues pruned to eliminate duplicates Z: 70 78.920 2.559 0.990 0.593 0.957 0.725 CB 1.785 70 residues pruned to eliminate duplicates Z: 107 94.404 2.538 1.139 0.516 0.943 0.670 CB 1.762 107 residues pruned to eliminate duplicates Z: 108 88.739 2.513 1.048 0.503 0.935 0.589 CB 1.778 108 residues pruned to eliminate duplicates Z: 73 71.544 2.512 0.904 0.558 0.958 0.667 CB 1.740 73 residues pruned to eliminate duplicates Z: 74 70.674 2.517 0.953 0.552 0.918 0.644 CB 1.744 74 residues pruned to eliminate duplicates Z: 105 92.651 2.521 1.104 0.521 0.942 0.731 CB 1.781 105 residues pruned to eliminate duplicates Z: 70 80.562 2.566 1.093 0.574 0.957 0.667 CB 1.758 70 residues pruned to eliminate duplicates Z: 73 72.547 2.522 1.002 0.572 0.917 0.694 CB 1.723 73 residues pruned to eliminate duplicates Z: 70 79.879 2.546 0.999 0.573 0.971 0.667 CB 1.813 70 residues pruned to eliminate duplicates Z: 72 72.607 2.510 0.925 0.565 0.944 0.732 CB 1.774 72 residues pruned to eliminate duplicates Z: 105 82.038 2.508 0.996 0.481 0.933 0.625 CB 1.756 105 residues pruned to eliminate duplicates Z: 108 94.320 2.522 1.139 0.523 0.935 0.664 CB 1.768 108 residues pruned to eliminate duplicates Z: 70 80.565 2.556 0.988 0.599 0.957 0.739 CB 1.815 70 residues pruned to eliminate duplicates Z: 107 82.103 2.513 1.030 0.487 0.925 0.604 CB 1.713 107 residues pruned to eliminate duplicates Z: 110 84.904 2.487 1.081 0.493 0.908 0.633 CB 1.742 110 residues pruned to eliminate duplicates Z: 81 71.917 2.486 0.969 0.511 0.925 0.675 CB 1.757 81 residues pruned to eliminate duplicates Z: 69 86.121 2.573 1.102 0.593 0.971 0.735 CB 1.820 69 residues pruned to eliminate duplicates Z: 90 79.380 2.479 1.060 0.537 0.910 0.685 CB 1.746 90 residues pruned to eliminate duplicates Z: 74 75.737 2.486 0.941 0.555 0.973 0.671 CB 1.790 74 residues pruned to eliminate duplicates Z: 108 85.415 2.508 1.026 0.504 0.925 0.636 CB 1.749 108 residues pruned to eliminate duplicates Z: 38 56.267 2.484 1.015 0.505 1.000 0.703 CB 1.839 38 residues pruned to eliminate duplicates Z: 108 88.358 2.524 1.057 0.505 0.935 0.636 CB 1.752 108 residues pruned to eliminate duplicates Z: 134 94.548 2.533 1.014 0.523 0.917 0.632 CB 1.713 134 residues pruned to eliminate duplicates Z: 83 78.244 2.505 0.999 0.558 0.963 0.707 CB 1.693 83 residues pruned to eliminate duplicates Z: 70 80.272 2.567 0.957 0.595 0.971 0.797 CB 1.810 70 residues pruned to eliminate duplicates Z: 51 58.208 2.353 1.120 0.480 0.960 0.700 CB 1.755 51 residues pruned to eliminate duplicates Z: 108 84.885 2.511 1.031 0.515 0.925 0.654 CB 1.714 108 residues pruned to eliminate duplicates Z: 109 91.063 2.507 1.072 0.508 0.963 0.602 CB 1.738 109 residues pruned to eliminate duplicates Z: 70 76.549 2.566 1.015 0.573 0.942 0.681 CB 1.764 70 residues pruned to eliminate duplicates Z: 70 80.854 2.578 1.068 0.582 0.957 0.681 CB 1.765 70 residues pruned to eliminate duplicates Z: 73 75.406 2.528 0.934 0.582 0.958 0.722 CB 1.752 73 residues pruned to eliminate duplicates Z: 107 92.402 2.524 1.083 0.529 0.953 0.613 CB 1.741 107 residues pruned to eliminate duplicates Z: 92 84.036 2.509 0.999 0.536 0.967 0.681 CB 1.754 92 residues pruned to eliminate duplicates Z: 70 81.470 2.580 1.019 0.581 0.957 0.754 CB 1.820 70 residues pruned to eliminate duplicates Z: 73 75.764 2.530 0.978 0.563 0.944 0.653 CB 1.778 73 residues pruned to eliminate duplicates Z: 108 89.505 2.519 1.145 0.508 0.925 0.636 CB 1.717 108 residues pruned to eliminate duplicates Z: 64 85.189 2.531 1.051 0.624 0.984 0.714 CB 1.868 64 residues pruned to eliminate duplicates Z: 109 92.841 2.507 1.134 0.510 0.944 0.630 CB 1.750 109 residues pruned to eliminate duplicates Z: 82 80.483 2.484 1.065 0.562 0.938 0.679 CB 1.749 82 residues pruned to eliminate duplicates Z: 81 80.970 2.495 1.062 0.551 0.963 0.663 CB 1.739 81 residues pruned to eliminate duplicates Z: 69 81.716 2.585 1.058 0.591 0.956 0.662 CB 1.786 69 residues pruned to eliminate duplicates Z: 69 85.172 2.571 1.102 0.591 0.985 0.676 CB 1.778 69 residues pruned to eliminate duplicates Z: 108 89.981 2.509 1.112 0.512 0.944 0.617 CB 1.718 108 residues pruned to eliminate duplicates Z: 82 79.406 2.502 1.087 0.542 0.938 0.654 CB 1.729 82 residues pruned to eliminate duplicates Z: 108 88.764 2.524 1.051 0.521 0.935 0.654 CB 1.738 108 residues pruned to eliminate duplicates Z: 82 80.410 2.504 1.013 0.544 0.975 0.630 CB 1.740 82 residues pruned to eliminate duplicates Z: 107 89.542 2.524 1.047 0.517 0.934 0.642 CB 1.772 107 residues pruned to eliminate duplicates Z: 70 84.842 2.570 1.091 0.594 0.971 0.696 CB 1.790 70 residues pruned to eliminate duplicates Z: 106 96.563 2.512 1.173 0.528 0.943 0.695 CB 1.782 106 residues pruned to eliminate duplicates Z: 109 90.626 2.501 1.118 0.499 0.944 0.676 CB 1.746 109 residues pruned to eliminate duplicates Z: 70 83.532 2.562 1.119 0.573 0.957 0.696 CB 1.804 70 residues pruned to eliminate duplicates Z: 83 74.752 2.499 1.004 0.538 0.927 0.598 CB 1.714 83 residues pruned to eliminate duplicates Z: 25 50.487 2.674 1.173 0.600 0.917 0.458 CB 1.759 25 residues pruned to eliminate duplicates Z: 107 94.301 2.531 1.146 0.507 0.934 0.651 CB 1.793 107 residues pruned to eliminate duplicates Z: 107 89.275 2.496 1.060 0.516 0.962 0.679 CB 1.725 107 residues pruned to eliminate duplicates Z: 108 85.896 2.488 1.056 0.508 0.925 0.636 CB 1.741 108 residues pruned to eliminate duplicates Z: 69 80.741 2.571 1.080 0.586 0.926 0.662 CB 1.820 69 residues pruned to eliminate duplicates Z: 69 79.780 2.555 1.012 0.582 0.956 0.676 CB 1.819 69 residues pruned to eliminate duplicates Z: 54 83.754 2.624 0.998 0.675 1.000 0.736 CB 1.867 54 residues pruned to eliminate duplicates Z: 188 108.317 2.519 1.047 0.485 0.893 0.610 CB 1.747 188 residues pruned to eliminate duplicates Z: 133 96.751 2.546 1.031 0.505 0.917 0.674 CB 1.768 133 residues pruned to eliminate duplicates Z: 135 100.375 2.556 1.049 0.502 0.933 0.612 CB 1.771 135 residues pruned to eliminate duplicates Z: 28 50.280 2.719 0.935 0.565 0.926 0.630 CB 1.866 28 residues pruned to eliminate duplicates Z: 27 45.728 2.709 0.964 0.512 0.923 0.500 CB 1.804 27 residues pruned to eliminate duplicates Z: 52 56.133 2.592 0.881 0.507 0.902 0.647 CB 1.774 52 residues pruned to eliminate duplicates Z: 30 44.885 2.655 1.050 0.502 0.828 0.621 CB 1.847 30 residues pruned to eliminate duplicates Z: 43 55.869 2.644 0.934 0.541 0.881 0.667 CB 1.837 43 residues pruned to eliminate duplicates Z: 28 44.470 2.665 1.027 0.515 0.889 0.630 CB 1.755 28 residues pruned to eliminate duplicates Z: 134 104.044 2.560 1.061 0.523 0.940 0.617 CB 1.778 134 residues pruned to eliminate duplicates Z: 153 89.440 2.510 0.959 0.502 0.862 0.632 CB 1.709 153 residues pruned to eliminate duplicates Z: 55 52.262 2.556 0.951 0.469 0.833 0.556 CB 1.766 55 residues pruned to eliminate duplicates Z: 28 47.308 2.681 1.129 0.527 0.852 0.630 CB 1.823 28 residues pruned to eliminate duplicates Z: 42 63.263 2.694 1.060 0.559 0.927 0.659 CB 1.814 42 residues pruned to eliminate duplicates Z: 64 66.741 2.656 1.038 0.476 0.873 0.635 CB 1.823 64 residues pruned to eliminate duplicates Z: 79 67.354 2.545 1.090 0.467 0.872 0.577 CB 1.701 79 residues pruned to eliminate duplicates Z: 27 54.581 2.758 1.058 0.580 0.923 0.731 CB 1.891 27 residues pruned to eliminate duplicates Z: 133 96.767 2.561 1.035 0.528 0.879 0.682 CB 1.788 133 residues pruned to eliminate duplicates Z: 49 61.434 2.680 0.917 0.554 0.896 0.750 CB 1.828 49 residues pruned to eliminate duplicates Z: 28 40.448 2.590 1.061 0.528 0.852 0.630 CB 1.664 28 residues pruned to eliminate duplicates Z: 133 103.758 2.588 1.081 0.521 0.917 0.674 CB 1.793 133 residues pruned to eliminate duplicates Z: 28 44.024 2.652 1.102 0.520 0.852 0.519 CB 1.750 28 residues pruned to eliminate duplicates Z: 54 61.918 2.625 1.040 0.498 0.868 0.679 CB 1.834 54 residues pruned to eliminate duplicates Z: 114 75.803 2.564 0.997 0.461 0.858 0.566 CB 1.688 114 residues pruned to eliminate duplicates Z: 134 100.730 2.541 1.130 0.509 0.910 0.647 CB 1.758 134 residues pruned to eliminate duplicates Z: 36 40.631 2.551 0.759 0.456 0.857 0.686 CB 1.867 36 residues pruned to eliminate duplicates Z: 26 50.850 2.724 1.021 0.560 0.920 0.560 CB 1.895 26 residues pruned to eliminate duplicates Z: 44 54.955 2.650 0.914 0.529 0.884 0.651 CB 1.817 44 residues pruned to eliminate duplicates Z: 156 93.861 2.518 0.994 0.481 0.903 0.632 CB 1.694 156 residues pruned to eliminate duplicates Z: 181 110.593 2.569 1.035 0.501 0.917 0.633 CB 1.718 181 residues pruned to eliminate duplicates Z: 28 32.537 2.511 0.735 0.458 0.852 0.704 CB 1.762 28 residues pruned to eliminate duplicates Z: 77 64.940 2.564 1.025 0.465 0.868 0.605 CB 1.712 77 residues pruned to eliminate duplicates Z: 80 62.851 2.573 0.976 0.449 0.861 0.519 CB 1.702 80 residues pruned to eliminate duplicates Z: 94 66.593 2.558 1.019 0.423 0.871 0.581 CB 1.664 94 residues pruned to eliminate duplicates Z: 43 58.434 2.659 0.939 0.540 0.905 0.619 CB 1.858 43 residues pruned to eliminate duplicates Z: 29 32.298 2.528 0.834 0.428 0.821 0.607 CB 1.726 29 residues pruned to eliminate duplicates Z: 83 66.622 2.579 1.025 0.428 0.890 0.512 CB 1.705 83 residues pruned to eliminate duplicates Z: 114 89.869 2.564 1.010 0.535 0.885 0.664 CB 1.791 114 residues pruned to eliminate duplicates Z: 76 72.135 2.637 1.080 0.471 0.893 0.587 CB 1.751 76 residues pruned to eliminate duplicates Z: 106 70.208 2.504 1.072 0.435 0.867 0.495 CB 1.630 106 residues pruned to eliminate duplicates Z: 53 59.277 2.611 1.019 0.510 0.865 0.692 CB 1.784 53 residues pruned to eliminate duplicates Z: 53 61.446 2.615 1.114 0.504 0.885 0.577 CB 1.736 53 residues pruned to eliminate duplicates Z: 83 61.481 2.484 1.088 0.425 0.878 0.476 CB 1.611 83 residues pruned to eliminate duplicates Z: 62 51.385 2.478 0.928 0.397 0.902 0.557 CB 1.702 62 residues pruned to eliminate duplicates Z: 154 106.130 2.560 1.040 0.510 0.908 0.654 CB 1.790 154 residues pruned to eliminate duplicates Z: 53 67.316 2.613 1.097 0.543 0.923 0.596 CB 1.769 53 residues pruned to eliminate duplicates Z: 22 34.498 2.551 0.956 0.435 0.905 0.619 CB 1.783 22 residues pruned to eliminate duplicates Z: 115 77.608 2.563 1.085 0.442 0.868 0.561 CB 1.663 115 residues pruned to eliminate duplicates Z: 32 39.349 2.601 1.076 0.386 0.839 0.613 CB 1.762 32 residues pruned to eliminate duplicates Z: 47 38.013 2.520 0.875 0.354 0.826 0.478 CB 1.681 47 residues pruned to eliminate duplicates Z: 57 56.974 2.572 0.934 0.479 0.875 0.643 CB 1.788 57 residues pruned to eliminate duplicates Z: 171 109.730 2.530 1.097 0.504 0.894 0.624 CB 1.768 171 residues pruned to eliminate duplicates Z: 208 111.881 2.532 1.031 0.481 0.894 0.604 CB 1.726 208 residues pruned to eliminate duplicates Z: 60 47.482 2.449 1.054 0.405 0.864 0.559 CB 1.572 60 residues pruned to eliminate duplicates Z: 40 49.818 2.502 1.234 0.408 0.897 0.641 CB 1.751 40 residues pruned to eliminate duplicates Z: 56 44.701 2.377 1.103 0.385 0.891 0.491 CB 1.530 56 residues pruned to eliminate duplicates Z: 72 58.489 2.481 1.144 0.432 0.901 0.549 CB 1.553 72 residues pruned to eliminate duplicates Z: 53 47.174 2.471 1.118 0.393 0.885 0.577 CB 1.582 53 residues pruned to eliminate duplicates Z: 63 59.831 2.581 1.164 0.487 0.823 0.581 CB 1.675 63 residues pruned to eliminate duplicates Z: 29 29.130 2.397 1.006 0.335 0.857 0.429 CB 1.600 29 residues pruned to eliminate duplicates Z: 33 25.240 2.384 0.787 0.322 0.844 0.500 CB 1.510 33 residues pruned to eliminate duplicates Z: 63 54.057 2.518 1.046 0.425 0.887 0.532 CB 1.624 63 residues pruned to eliminate duplicates Z: 31 30.891 2.454 1.079 0.339 0.867 0.433 CB 1.521 31 residues pruned to eliminate duplicates Z: 47 44.748 2.559 1.022 0.370 0.848 0.565 CB 1.729 47 residues pruned to eliminate duplicates Z: 84 62.486 2.507 0.921 0.431 0.904 0.578 CB 1.692 84 residues pruned to eliminate duplicates Z: 19 37.194 2.590 1.179 0.386 0.944 0.611 CB 1.857 19 residues pruned to eliminate duplicates Z: 21 18.465 2.201 0.712 0.324 0.950 0.450 CB 1.400 21 residues pruned to eliminate duplicates Z: 61 55.275 2.496 1.178 0.431 0.883 0.500 CB 1.597 61 residues pruned to eliminate duplicates Z: 39 45.771 2.446 1.209 0.440 0.895 0.605 CB 1.635 39 residues pruned to eliminate duplicates Z: 17 18.989 2.459 1.179 0.378 0.750 0.438 CB 1.345 17 residues pruned to eliminate duplicates Z: 21 16.078 2.285 1.055 0.287 0.800 0.250 CB 1.215 21 residues pruned to eliminate duplicates Z: 11 5.529 2.202 0.658 0.191 0.600 0.400 CB 1.156 11 residues pruned to eliminate duplicates Z: 10 5.775 2.217 0.661 0.161 0.778 0.333 CB 1.017 10 residues pruned to eliminate duplicates Z: 30 30.313 2.369 1.096 0.325 0.897 0.517 CB 1.532 30 residues pruned to eliminate duplicates Z: 64 53.661 2.474 1.170 0.426 0.873 0.460 CB 1.558 64 residues pruned to eliminate duplicates Z: 31 28.166 2.405 0.992 0.341 0.833 0.500 CB 1.532 31 residues pruned to eliminate duplicates Z: 52 47.538 2.478 1.178 0.414 0.843 0.471 CB 1.600 52 residues pruned to eliminate duplicates Z: 40 41.113 2.395 1.135 0.452 0.872 0.538 CB 1.551 40 residues pruned to eliminate duplicates Z: 63 48.092 2.473 1.045 0.420 0.871 0.500 CB 1.507 63 residues pruned to eliminate duplicates Z: 67 57.592 2.452 1.177 0.392 0.909 0.500 CB 1.638 67 residues pruned to eliminate duplicates Z: 63 56.068 2.499 1.218 0.418 0.871 0.532 CB 1.607 63 residues pruned to eliminate duplicates Z: 82 62.634 2.533 1.112 0.420 0.877 0.531 CB 1.613 82 residues pruned to eliminate duplicates Z: 31 31.122 2.393 1.102 0.468 0.833 0.533 CB 1.401 31 residues pruned to eliminate duplicates Z: 113 72.890 2.522 0.954 0.420 0.920 0.545 CB 1.651 113 residues pruned to eliminate duplicates Z: 43 35.876 2.410 1.199 0.334 0.857 0.476 CB 1.462 43 residues pruned to eliminate duplicates Z: 50 47.441 2.471 1.089 0.428 0.898 0.469 CB 1.576 50 residues pruned to eliminate duplicates Z: 48 45.782 2.449 1.105 0.457 0.936 0.596 CB 1.445 48 residues pruned to eliminate duplicates Z: 36 39.726 2.469 1.125 0.477 0.857 0.543 CB 1.528 36 residues pruned to eliminate duplicates Z: 40 45.841 2.435 1.314 0.432 0.872 0.513 CB 1.602 40 residues pruned to eliminate duplicates Z: 37 43.523 2.441 1.208 0.501 0.917 0.556 CB 1.466 37 residues pruned to eliminate duplicates Z: 68 49.608 2.367 1.069 0.383 0.881 0.448 CB 1.591 68 residues pruned to eliminate duplicates Z: 42 41.026 2.437 1.066 0.446 0.878 0.561 CB 1.532 42 residues pruned to eliminate duplicates Z: 45 42.209 2.447 1.087 0.450 0.864 0.523 CB 1.519 45 residues pruned to eliminate duplicates Z: 48 49.446 2.471 1.152 0.437 0.915 0.596 CB 1.583 48 residues pruned to eliminate duplicates Z: 42 40.378 2.356 1.222 0.415 0.854 0.537 CB 1.542 42 residues pruned to eliminate duplicates Z: 31 37.628 2.436 1.094 0.510 0.933 0.433 CB 1.429 31 residues pruned to eliminate duplicates Z: 26 40.359 2.448 1.088 0.559 0.960 0.480 CB 1.553 26 residues pruned to eliminate duplicates Z: 62 56.140 2.521 1.212 0.430 0.869 0.475 CB 1.596 62 residues pruned to eliminate duplicates Z: 51 50.712 2.494 1.141 0.413 0.920 0.540 CB 1.599 51 residues pruned to eliminate duplicates Z: 14 39.001 2.419 1.120 0.617 1.000 0.692 CB 1.888 14 residues pruned to eliminate duplicates Z: 52 46.959 2.477 1.163 0.399 0.863 0.529 CB 1.582 52 residues pruned to eliminate duplicates Z: 63 53.113 2.510 1.068 0.420 0.887 0.500 CB 1.592 63 residues pruned to eliminate duplicates Z: 35 43.588 2.506 1.294 0.502 0.853 0.647 CB 1.522 35 residues pruned to eliminate duplicates Z: 61 53.161 2.469 1.195 0.439 0.883 0.583 CB 1.527 61 residues pruned to eliminate duplicates Z: 36 45.565 2.452 1.275 0.506 0.914 0.600 CB 1.501 37 residues pruned to eliminate duplicates Z: 6 7.708 1.879 0.908 0.352 0.800 0.400 CB 1.410 6 residues pruned to eliminate duplicates Z: 65 51.935 2.447 1.130 0.415 0.891 0.500 CB 1.529 65 residues pruned to eliminate duplicates Z: 35 40.977 2.480 1.161 0.469 0.882 0.500 CB 1.534 35 residues pruned to eliminate duplicates Z: 36 39.277 2.471 1.059 0.483 0.886 0.514 CB 1.499 36 residues pruned to eliminate duplicates Z: 48 41.088 2.441 1.240 0.434 0.851 0.511 CB 1.379 48 residues pruned to eliminate duplicates Z: 64 54.728 2.486 1.126 0.422 0.905 0.524 CB 1.564 64 residues pruned to eliminate duplicates Z: 63 49.845 2.431 1.058 0.458 0.871 0.468 CB 1.516 63 residues pruned to eliminate duplicates Z: 27 39.203 2.425 1.112 0.603 0.923 0.538 CB 1.474 27 residues pruned to eliminate duplicates Z: 37 42.027 2.445 1.139 0.523 0.917 0.611 CB 1.428 37 residues pruned to eliminate duplicates Z: 64 53.601 2.475 1.147 0.444 0.889 0.476 CB 1.515 64 residues pruned to eliminate duplicates Z: 94 88.469 2.537 1.128 0.476 0.903 0.677 CB 1.927 94 residues pruned to eliminate duplicates Z: 40 49.920 2.497 1.104 0.412 0.897 0.590 CB 1.860 40 residues pruned to eliminate duplicates Z: 110 94.537 2.537 1.128 0.493 0.917 0.633 CB 1.842 110 residues pruned to eliminate duplicates Z: 35 41.419 2.411 1.200 0.355 0.853 0.588 CB 1.837 35 residues pruned to eliminate duplicates Z: 41 47.729 2.502 1.060 0.377 0.900 0.550 CB 1.855 41 residues pruned to eliminate duplicates Z: 26 38.099 2.450 1.199 0.340 0.960 0.680 CB 1.754 26 residues pruned to eliminate duplicates Z: 108 97.105 2.542 1.064 0.514 0.935 0.636 CB 1.887 108 residues pruned to eliminate duplicates Z: 49 53.610 2.555 1.102 0.387 0.875 0.604 CB 1.857 49 residues pruned to eliminate duplicates Z: 40 52.094 2.522 1.075 0.382 0.949 0.564 CB 1.906 40 residues pruned to eliminate duplicates Z: 50 55.661 2.529 1.179 0.395 0.878 0.612 CB 1.837 50 residues pruned to eliminate duplicates Z: 109 99.498 2.574 1.134 0.505 0.935 0.657 CB 1.854 109 residues pruned to eliminate duplicates Z: 109 105.269 2.573 1.215 0.513 0.944 0.648 CB 1.858 109 residues pruned to eliminate duplicates Z: 109 96.817 2.537 1.128 0.512 0.944 0.602 CB 1.806 109 residues pruned to eliminate duplicates Z: 41 43.068 2.410 0.994 0.352 0.925 0.525 CB 1.797 41 residues pruned to eliminate duplicates Z: 50 55.220 2.521 1.106 0.395 0.898 0.551 CB 1.850 50 residues pruned to eliminate duplicates Z: 39 55.760 2.545 1.278 0.408 0.895 0.526 CB 1.920 39 residues pruned to eliminate duplicates Z: 109 100.406 2.581 1.123 0.514 0.926 0.602 CB 1.878 109 residues pruned to eliminate duplicates Z: 50 54.351 2.518 1.106 0.393 0.898 0.592 CB 1.826 50 residues pruned to eliminate duplicates Z: 38 57.509 2.569 1.242 0.417 0.919 0.595 CB 1.949 38 residues pruned to eliminate duplicates Z: 109 95.608 2.579 1.059 0.510 0.917 0.667 CB 1.870 109 residues pruned to eliminate duplicates Z: 39 50.504 2.538 1.083 0.403 0.895 0.579 CB 1.918 39 residues pruned to eliminate duplicates Z: 109 97.993 2.562 1.117 0.499 0.935 0.602 CB 1.860 109 residues pruned to eliminate duplicates Z: 105 101.892 2.566 1.143 0.535 0.933 0.692 CB 1.881 105 residues pruned to eliminate duplicates Z: 51 53.414 2.471 1.131 0.373 0.920 0.580 CB 1.785 51 residues pruned to eliminate duplicates Z: 41 51.093 2.474 1.201 0.377 0.925 0.575 CB 1.829 41 residues pruned to eliminate duplicates Z: 40 53.562 2.501 1.282 0.387 0.923 0.667 CB 1.835 40 residues pruned to eliminate duplicates Z: 40 52.724 2.520 1.168 0.408 0.923 0.538 CB 1.843 40 residues pruned to eliminate duplicates Z: 50 59.285 2.522 1.219 0.392 0.918 0.571 CB 1.848 50 residues pruned to eliminate duplicates Z: 109 97.082 2.555 1.141 0.504 0.917 0.676 CB 1.856 109 residues pruned to eliminate duplicates Z: 86 89.408 2.565 1.079 0.544 0.929 0.612 CB 1.875 86 residues pruned to eliminate duplicates Z: 50 56.109 2.512 1.165 0.386 0.898 0.551 CB 1.853 50 residues pruned to eliminate duplicates Z: 39 51.686 2.517 1.126 0.411 0.921 0.579 CB 1.866 39 residues pruned to eliminate duplicates Z: 39 52.532 2.515 1.146 0.408 0.921 0.553 CB 1.888 39 residues pruned to eliminate duplicates Z: 42 51.003 2.449 1.169 0.382 0.927 0.561 CB 1.835 42 residues pruned to eliminate duplicates Z: 111 93.081 2.520 1.114 0.493 0.927 0.636 CB 1.810 111 residues pruned to eliminate duplicates Z: 108 104.297 2.579 1.194 0.524 0.935 0.645 CB 1.861 108 residues pruned to eliminate duplicates Z: 50 57.525 2.529 1.106 0.402 0.939 0.510 CB 1.822 50 residues pruned to eliminate duplicates Z: 109 102.573 2.562 1.163 0.518 0.944 0.602 CB 1.853 109 residues pruned to eliminate duplicates Z: 71 84.595 2.593 1.071 0.570 0.943 0.643 CB 1.867 71 residues pruned to eliminate duplicates Z: 70 89.261 2.583 1.165 0.577 0.942 0.638 CB 1.894 70 residues pruned to eliminate duplicates Z: 50 58.489 2.496 1.150 0.418 0.918 0.592 CB 1.846 50 residues pruned to eliminate duplicates Z: 108 102.329 2.589 1.169 0.518 0.925 0.673 CB 1.869 108 residues pruned to eliminate duplicates Z: 70 85.539 2.610 1.134 0.573 0.928 0.696 CB 1.857 70 residues pruned to eliminate duplicates Z: 70 88.716 2.595 1.106 0.570 0.957 0.681 CB 1.910 70 residues pruned to eliminate duplicates Z: 70 87.825 2.613 1.106 0.583 0.942 0.710 CB 1.882 70 residues pruned to eliminate duplicates Z: 70 88.747 2.607 1.065 0.586 0.971 0.696 CB 1.883 70 residues pruned to eliminate duplicates Z: 71 81.854 2.570 1.060 0.566 0.943 0.571 CB 1.839 71 residues pruned to eliminate duplicates Z: 109 95.071 2.572 1.132 0.501 0.917 0.630 CB 1.820 109 residues pruned to eliminate duplicates Z: 117 97.140 2.511 0.995 0.576 0.922 0.655 CB 1.813 117 residues pruned to eliminate duplicates Z: 69 85.945 2.623 1.079 0.583 0.941 0.662 CB 1.875 69 residues pruned to eliminate duplicates Z: 70 84.391 2.604 1.082 0.577 0.928 0.623 CB 1.875 70 residues pruned to eliminate duplicates Z: 70 84.732 2.594 1.045 0.565 0.971 0.609 CB 1.859 70 residues pruned to eliminate duplicates Z: 70 81.903 2.577 1.061 0.575 0.913 0.667 CB 1.891 70 residues pruned to eliminate duplicates Z: 108 100.307 2.585 1.163 0.524 0.916 0.607 CB 1.849 108 residues pruned to eliminate duplicates Z: 73 82.834 2.569 1.043 0.554 0.958 0.681 CB 1.841 73 residues pruned to eliminate duplicates Z: 71 86.610 2.582 1.085 0.577 0.957 0.643 CB 1.865 71 residues pruned to eliminate duplicates Z: 71 89.302 2.570 1.123 0.583 0.957 0.586 CB 1.887 71 residues pruned to eliminate duplicates Z: 101 98.735 2.586 1.136 0.530 0.920 0.670 CB 1.886 101 residues pruned to eliminate duplicates Z: 70 80.802 2.549 1.055 0.572 0.928 0.667 CB 1.867 70 residues pruned to eliminate duplicates Z: 70 78.952 2.592 1.030 0.560 0.928 0.681 CB 1.837 70 residues pruned to eliminate duplicates Z: 108 98.634 2.586 1.109 0.502 0.944 0.673 CB 1.848 108 residues pruned to eliminate duplicates Z: 71 84.484 2.573 1.084 0.576 0.957 0.557 CB 1.828 71 residues pruned to eliminate duplicates Z: 71 87.804 2.575 1.042 0.582 0.971 0.671 CB 1.899 71 residues pruned to eliminate duplicates Z: 70 91.552 2.600 1.184 0.585 0.971 0.638 CB 1.843 70 residues pruned to eliminate duplicates Z: 69 84.501 2.592 1.058 0.560 0.956 0.603 CB 1.896 69 residues pruned to eliminate duplicates Z: 110 95.707 2.534 1.102 0.509 0.917 0.633 CB 1.859 110 residues pruned to eliminate duplicates Z: 82 92.473 2.550 1.162 0.569 0.963 0.667 CB 1.811 82 residues pruned to eliminate duplicates Z: 70 85.319 2.576 1.029 0.568 0.971 0.681 CB 1.895 70 residues pruned to eliminate duplicates Z: 71 85.494 2.566 1.115 0.579 0.943 0.714 CB 1.850 71 residues pruned to eliminate duplicates Z: 61 89.862 2.602 1.092 0.641 0.967 0.733 CB 1.933 61 residues pruned to eliminate duplicates Z: 73 82.738 2.532 1.099 0.572 0.944 0.681 CB 1.811 73 residues pruned to eliminate duplicates Z: 71 81.394 2.553 1.014 0.581 0.943 0.729 CB 1.857 71 residues pruned to eliminate duplicates Z: 69 90.698 2.598 1.132 0.592 0.971 0.706 CB 1.873 69 residues pruned to eliminate duplicates Z: 70 92.653 2.608 1.161 0.589 0.957 0.696 CB 1.900 70 residues pruned to eliminate duplicates Z: 70 89.072 2.603 1.133 0.589 0.957 0.696 CB 1.854 70 residues pruned to eliminate duplicates Z: 110 96.661 2.555 1.105 0.506 0.927 0.633 CB 1.846 110 residues pruned to eliminate duplicates Z: 70 84.306 2.581 1.067 0.574 0.928 0.725 CB 1.909 70 residues pruned to eliminate duplicates Z: 108 106.513 2.593 1.172 0.525 0.953 0.626 CB 1.871 108 residues pruned to eliminate duplicates Z: 109 100.508 2.575 1.149 0.506 0.926 0.639 CB 1.876 109 residues pruned to eliminate duplicates Z: 91 99.184 2.576 1.209 0.555 0.933 0.600 CB 1.866 91 residues pruned to eliminate duplicates Z: 64 88.835 2.594 1.203 0.616 0.952 0.714 CB 1.843 64 residues pruned to eliminate duplicates Z: 70 87.513 2.597 1.124 0.574 0.957 0.609 CB 1.859 70 residues pruned to eliminate duplicates Z: 109 103.664 2.581 1.179 0.522 0.935 0.630 CB 1.857 109 residues pruned to eliminate duplicates Z: 104 96.008 2.551 1.073 0.512 0.942 0.650 CB 1.877 104 residues pruned to eliminate duplicates Z: 110 97.262 2.559 1.127 0.510 0.908 0.661 CB 1.866 110 residues pruned to eliminate duplicates Z: 108 102.742 2.590 1.144 0.528 0.935 0.636 CB 1.862 108 residues pruned to eliminate duplicates Z: 72 84.108 2.547 1.080 0.574 0.958 0.662 CB 1.832 72 residues pruned to eliminate duplicates Z: 61 92.518 2.605 1.158 0.637 0.967 0.683 CB 1.933 61 residues pruned to eliminate duplicates Z: 99 104.420 2.585 1.163 0.546 0.939 0.643 CB 1.921 99 residues pruned to eliminate duplicates Z: 72 87.954 2.589 1.146 0.589 0.944 0.648 CB 1.828 72 residues pruned to eliminate duplicates Z: 61 92.580 2.608 1.115 0.639 0.983 0.733 CB 1.934 61 residues pruned to eliminate duplicates Z: 109 92.714 2.557 1.136 0.492 0.907 0.630 CB 1.816 109 residues pruned to eliminate duplicates Z: 61 91.481 2.590 1.164 0.648 0.950 0.767 CB 1.931 61 residues pruned to eliminate duplicates Z: 108 99.235 2.579 1.132 0.514 0.935 0.654 CB 1.840 108 residues pruned to eliminate duplicates Z: 108 97.694 2.527 1.141 0.516 0.935 0.598 CB 1.839 108 residues pruned to eliminate duplicates Z: 70 91.811 2.612 1.200 0.589 0.942 0.681 CB 1.875 70 residues pruned to eliminate duplicates Z: 70 90.890 2.600 1.192 0.592 0.942 0.667 CB 1.867 70 residues pruned to eliminate duplicates Z: 108 106.137 2.589 1.214 0.524 0.935 0.626 CB 1.870 108 residues pruned to eliminate duplicates Z: 71 84.084 2.578 1.136 0.570 0.929 0.629 CB 1.836 71 residues pruned to eliminate duplicates Z: 70 84.453 2.594 1.101 0.568 0.957 0.609 CB 1.826 70 residues pruned to eliminate duplicates Z: 10 5.254 2.014 1.010 0.221 0.667 0.111 CB 0.901 Z: 6 5.776 1.968 1.159 0.332 0.800 0.600 CB 0.914 7 residues pruned to eliminate duplicates Z: 16 43.188 2.511 1.167 0.838 1.000 0.733 CB 1.532 16 residues pruned to eliminate duplicates Z: 92 46.227 2.210 0.930 0.412 0.813 0.527 CB 1.533 92 residues pruned to eliminate duplicates Z: 73 48.238 2.380 0.957 0.461 0.847 0.528 CB 1.499 73 residues pruned to eliminate duplicates Z: 110 99.255 2.546 1.067 0.570 0.945 0.670 CB 1.786 119 residues pruned to eliminate duplicates Z: 70 51.778 2.418 0.954 0.478 0.841 0.594 CB 1.604 70 residues pruned to eliminate duplicates Z: 44 45.584 2.482 0.943 0.532 0.884 0.698 CB 1.580 44 residues pruned to eliminate duplicates Z: 117 100.362 2.580 1.017 0.566 0.931 0.612 CB 1.804 125 residues pruned to eliminate duplicates Z: 49 53.771 2.527 0.956 0.556 0.896 0.583 CB 1.660 49 residues pruned to eliminate duplicates Z: 65 45.645 2.415 0.884 0.471 0.859 0.578 CB 1.502 65 residues pruned to eliminate duplicates Z: 154 103.822 2.533 1.065 0.505 0.908 0.627 CB 1.757 154 residues pruned to eliminate duplicates Z: 78 51.326 2.391 0.932 0.462 0.857 0.597 CB 1.535 78 residues pruned to eliminate duplicates Z: 74 48.893 2.422 0.919 0.452 0.836 0.548 CB 1.548 74 residues pruned to eliminate duplicates Z: 146 100.517 2.505 1.055 0.531 0.924 0.676 CB 1.702 164 residues pruned to eliminate duplicates Z: 13 46.025 2.775 1.276 0.811 0.917 0.667 CB 1.750 13 residues pruned to eliminate duplicates Z: 70 57.024 2.446 1.042 0.482 0.870 0.536 CB 1.609 70 residues pruned to eliminate duplicates Z: 90 53.465 2.362 0.913 0.436 0.910 0.551 CB 1.472 79 residues pruned to eliminate duplicates Z: 7 9.527 2.035 0.625 0.441 0.833 0.667 CB 1.500 7 residues pruned to eliminate duplicates Z: 35 32.080 2.230 0.966 0.479 0.912 0.618 CB 1.406 35 residues pruned to eliminate duplicates Z: 53 42.986 2.414 0.852 0.517 0.885 0.635 CB 1.481 53 residues pruned to eliminate duplicates Z: 30 39.771 2.530 0.953 0.548 0.897 0.690 CB 1.591 30 residues pruned to eliminate duplicates Z: 78 48.441 2.377 0.906 0.452 0.844 0.532 CB 1.516 78 residues pruned to eliminate duplicates Z: 48 48.084 2.489 0.978 0.539 0.894 0.553 CB 1.534 48 residues pruned to eliminate duplicates Z: 89 45.235 2.220 0.873 0.425 0.886 0.489 CB 1.415 69 residues pruned to eliminate duplicates Z: 11 15.794 2.253 0.640 0.759 0.900 0.800 CB 1.192 11 residues pruned to eliminate duplicates Z: 50 49.881 2.473 0.910 0.546 0.898 0.571 CB 1.606 50 residues pruned to eliminate duplicates Z: 49 51.021 2.495 1.009 0.539 0.875 0.562 CB 1.616 49 residues pruned to eliminate duplicates Z: 53 46.759 2.472 0.892 0.499 0.885 0.519 CB 1.569 53 residues pruned to eliminate duplicates Z: 78 54.168 2.390 0.978 0.480 0.896 0.571 CB 1.487 78 residues pruned to eliminate duplicates Z: 37 34.656 2.244 1.085 0.455 0.917 0.611 CB 1.410 37 residues pruned to eliminate duplicates Z: 49 50.481 2.495 1.020 0.542 0.875 0.604 CB 1.585 49 residues pruned to eliminate duplicates Z: 83 49.714 2.395 0.987 0.439 0.829 0.549 CB 1.482 83 residues pruned to eliminate duplicates Z: 132 90.916 2.488 1.008 0.536 0.908 0.618 CB 1.690 132 residues pruned to eliminate duplicates Z: 47 35.916 2.341 0.865 0.433 0.848 0.587 CB 1.533 47 residues pruned to eliminate duplicates Z: 44 47.166 2.483 0.980 0.547 0.884 0.628 CB 1.582 44 residues pruned to eliminate duplicates Z: 44 42.055 2.462 0.912 0.530 0.907 0.605 CB 1.459 44 residues pruned to eliminate duplicates Z: 47 43.587 2.439 0.947 0.499 0.891 0.500 CB 1.521 47 residues pruned to eliminate duplicates Z: 50 54.074 2.444 0.996 0.552 0.939 0.633 CB 1.603 50 residues pruned to eliminate duplicates Z: 47 56.544 2.512 1.025 0.577 0.935 0.565 CB 1.628 47 residues pruned to eliminate duplicates Z: 51 50.714 2.419 0.952 0.553 0.940 0.580 CB 1.533 51 residues pruned to eliminate duplicates Z: 57 48.733 2.445 0.915 0.515 0.875 0.518 CB 1.566 57 residues pruned to eliminate duplicates Z: 72 52.294 2.381 0.897 0.474 0.901 0.549 CB 1.565 72 residues pruned to eliminate duplicates Z: 7 12.609 2.234 0.772 0.521 0.833 0.667 CB 1.528 7 residues pruned to eliminate duplicates Z: 24 14.027 2.167 0.619 0.331 0.739 0.565 CB 1.358 24 residues pruned to eliminate duplicates Z: 20 24.718 2.324 0.736 0.441 0.947 0.632 CB 1.575 20 residues pruned to eliminate duplicates Z: 47 32.781 2.313 0.813 0.415 0.870 0.630 CB 1.449 47 residues pruned to eliminate duplicates Z: 140 94.095 2.492 1.051 0.522 0.885 0.647 CB 1.727 140 residues pruned to eliminate duplicates Z: 76 56.277 2.413 1.013 0.485 0.893 0.587 CB 1.520 76 residues pruned to eliminate duplicates Z: 59 37.163 2.274 0.933 0.393 0.845 0.483 CB 1.472 59 residues pruned to eliminate duplicates Z: 72 51.323 2.379 0.958 0.479 0.887 0.563 CB 1.506 72 residues pruned to eliminate duplicates Z: 12 16.252 2.258 1.104 0.346 0.818 0.455 CB 1.490 12 residues pruned to eliminate duplicates Z: 16 19.100 2.176 1.010 0.315 1.000 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 29 19.333 2.182 0.915 0.277 0.857 0.500 CB 1.312 29 residues pruned to eliminate duplicates Z: 25 21.764 2.266 0.924 0.321 0.875 0.375 CB 1.418 25 residues pruned to eliminate duplicates Z: 28 26.183 2.192 0.993 0.330 0.963 0.593 CB 1.443 28 residues pruned to eliminate duplicates Z: 25 24.508 2.277 1.000 0.391 0.875 0.500 CB 1.410 25 residues pruned to eliminate duplicates Z: 22 17.035 2.101 0.937 0.295 0.762 0.429 CB 1.508 22 residues pruned to eliminate duplicates Z: 70 54.649 2.435 0.994 0.475 0.870 0.594 CB 1.599 70 residues pruned to eliminate duplicates Z: 28 22.538 2.241 0.875 0.376 0.852 0.370 CB 1.383 28 residues pruned to eliminate duplicates Z: 40 24.088 2.121 0.966 0.315 0.872 0.385 CB 1.303 40 residues pruned to eliminate duplicates Z: 77 57.492 2.367 1.080 0.484 0.895 0.539 CB 1.522 77 residues pruned to eliminate duplicates Z: 32 21.545 2.141 0.871 0.384 0.839 0.516 CB 1.302 32 residues pruned to eliminate duplicates Z: 10 13.164 2.175 1.309 0.314 0.667 0.444 CB 1.610 10 residues pruned to eliminate duplicates Z: 9 15.637 2.289 1.243 0.375 0.750 0.625 CA 1.641 9 residues pruned to eliminate duplicates Z: 71 45.112 2.275 0.911 0.466 0.843 0.529 CB 1.524 71 residues pruned to eliminate duplicates Z: 9 10.595 2.066 1.405 0.354 0.750 0.625 CB 1.177 9 residues pruned to eliminate duplicates Z: 14 17.374 2.236 0.918 0.445 0.846 0.462 CB 1.406 14 residues pruned to eliminate duplicates Z: 7 4.147 1.623 0.940 0.362 0.667 0.500 CB 0.935 7 residues pruned to eliminate duplicates Z: 27 24.365 2.107 0.926 0.544 0.846 0.538 CB 1.334 27 residues pruned to eliminate duplicates Z: 15 16.781 2.176 0.818 0.410 0.857 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 26 29.099 2.143 0.903 0.527 0.920 0.800 CB 1.510 26 residues pruned to eliminate duplicates Z: 27 28.155 2.148 0.920 0.561 0.885 0.654 CB 1.427 27 residues pruned to eliminate duplicates 433 residues left after pruning, divided into chains as follows: A: 219 B: 214 CC for partial structure against native data = 45.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.784, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.892, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 1.107, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.139, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.168, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.175, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.185, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.186, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.190, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.189, Connect. = 0.835 for dens.mod. cycle 10 TimeTaking 351.77